untitled.cdx
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 15 10  1  0  0  0  0
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 25 20  1  0  0  0  0
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  7 28  1  0  0  0  0
M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

>  <Cat> (1)
S1003

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

>  <Synonyms> (1)
AL39324,RG3635

>  <Target> (1)
Apoptosis related,Autophagy,CSF-1R,FLT3,PDGFR,VEGFR

>  <Form> (1)
free base

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

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

$$$$
untitled.cdx
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  6  7  1  0  0  0  0
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 11 12  1  0  0  0  0
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 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

>  <Name> (2)
Axitinib (AG 013736)

>  <Synonyms> (2)
AG 013736

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

>  <Form> (2)
free base

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

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

$$$$
untitled.cdx
csChFnd80/02252511162D

 38 43  0  0  0  0  0  0  0  0999 V2000
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 22  1  0  0  0  0
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 30 31  1  0  0  0  0
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 34 29  1  0  0  0  0
 30 35  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 34  1  0  0  0  0
M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C27H32ClN5O5

>  <MolWeight> (3)
542.02648

>  <Cat> (3)
S1006

>  <Name> (3)
Saracatinib (AZD0530)

>  <Synonyms> (3)
N/A

>  <Target> (3)
Autophagy,EGFR,Src

>  <Form> (3)
free base

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

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

$$$$
azd6244.cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C17H15BrClFN4O3

>  <MolWeight> (4)
457.6814032

>  <Cat> (4)
S1008

>  <Name> (4)
Selumetinib (AZD6244)

>  <Synonyms> (4)
ARRY-142886

>  <Target> (4)
Apoptosis related,MEK

>  <Form> (4)
free base

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

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

$$$$
untitled.cdx
csChFnd80/02252511162D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 26 28  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C31H33N5O4

>  <MolWeight> (5)
539.62482

>  <Cat> (5)
S1010

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

>  <Synonyms> (5)
Intedanib, Vargatef, Ofev

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

>  <Form> (5)
free base

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

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

$$$$
untitled.cdx
csChFnd80/02252511162D

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  1  2  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C19H25BN4O4

>  <MolWeight> (6)
384.2372

>  <Cat> (6)
S1013

>  <Name> (6)
Bortezomib (PS-341)

>  <Synonyms> (6)
Velcade, LDP-341, MLM341, NSC 681239,PS-341

>  <Target> (6)
Autophagy,Cathepsin B,Cysteine Protease,ERK,NF-¦ÊB,Proteasome

>  <Form> (6)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/02252511162D

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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
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  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
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M  END
>  <Mol_ID> (7)
8

>  <Formula> (7)
C25H27FN4O3

>  <MolWeight> (7)
450.5052832

>  <Cat> (7)
S1017

>  <Name> (7)
Cediranib (AZD2171)

>  <Synonyms> (7)
NSC-732208

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

>  <Form> (7)
free base

>  <CAS> (7)
288383-20-0

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

$$$$
CI1040.cdx
csChFnd80/02252511162D

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 10 11  2  0  0  0  0
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 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (8)
9

>  <Formula> (8)
C17H14ClF2IN2O2

>  <MolWeight> (8)
478.6595364

>  <Cat> (8)
S1020

>  <Name> (8)
PD184352 (CI-1040)

>  <Synonyms> (8)
N/A

>  <Target> (8)
Apoptosis related,MEK

>  <Form> (8)
free base

>  <CAS> (8)
212631-79-3

>  <URL> (8)
http://selleckchem.com/products/CI-1040-(PD184352).html

$$$$
Dasatinib.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (9)
10

>  <Formula> (9)
C22H26ClN7O2S

>  <MolWeight> (9)
488.00554

>  <Cat> (9)
S1021

>  <Name> (9)
Dasatinib (BMS-354825)

>  <Synonyms> (9)
BMS-354825

>  <Target> (9)
Apoptosis related,Autophagy,Bcr-Abl,c-Kit,Src

>  <Form> (9)
free base

>  <CAS> (9)
302962-49-8

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

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (10)
11

>  <Formula> (10)
C53H84NO14P

>  <MolWeight> (10)
990.206121

>  <Cat> (10)
S1022

>  <Name> (10)
Ridaforolimus (Deforolimus, MK-8669)

>  <Synonyms> (10)
AP23573

>  <Target> (10)
FKBP,mTOR

>  <Form> (10)
free base

>  <CAS> (10)
572924-54-0

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

$$$$

csChFnd80/02252511162D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (11)
12

>  <Formula> (11)
C21H21FN6O

>  <MolWeight> (11)
392.4294432

>  <Cat> (11)
S1018

>  <Name> (11)
Dovitinib (TKI-258)

>  <Synonyms> (11)
CHIR-258

>  <Target> (11)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (11)
Citrate

>  <CAS> (11)
405169-16-6

>  <URL> (11)
http://selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (12)
13

>  <Formula> (12)
C22H24ClFN4O3

>  <MolWeight> (12)
446.9023632

>  <Cat> (12)
S1025

>  <Name> (12)
Gefitinib (ZD1839)

>  <Synonyms> (12)
Iressa,ZD1839

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

>  <Form> (12)
free base

>  <CAS> (12)
184475-35-2

>  <URL> (12)
http://selleckchem.com/products/Gefitinib.html

$$$$
Imatinib Mesylate.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (13)
14

>  <Formula> (13)
C30H35N7O4S

>  <MolWeight> (13)
589.7084

>  <Cat> (13)
S1026

>  <Name> (13)
Imatinib (STI571) Mesylate

>  <Synonyms> (13)
Gleevec, Glivec, CGP-57148B,STI571

>  <Target> (13)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (13)
Mesylate

>  <CAS> (13)
220127-57-1

>  <URL> (13)
http://selleckchem.com/products/Imatinib-Mesylate.html

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (14)
15

>  <Formula> (14)
C43H42ClFN4O10S3

>  <MolWeight> (14)
925.4607832

>  <Cat> (14)
S1028

>  <Name> (14)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (14)
GW-572016

>  <Target> (14)
EGFR,HER2

>  <Form> (14)
Ditosylat

>  <CAS> (14)
388082-77-7

>  <URL> (14)
http://selleckchem.com/products/Lapatinib-Ditosylate.html

$$$$
untitled.cdx
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9744    2.7951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6744    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    1.5827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9 18  2  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (15)
16

>  <Formula> (15)
C13H13N3O3

>  <MolWeight> (15)
259.26062

>  <Cat> (15)
S1029

>  <Name> (15)
Lenalidomide (CC-5013)

>  <Synonyms> (15)
CC-5013

>  <Target> (15)
Apoptosis related,Caspase,E3 Ligase ,E3 ligase Ligand,TNF-alpha,VEGFR

>  <Form> (15)
free base

>  <CAS> (15)
191732-72-6

>  <URL> (15)
https://www.selleckchem.com/products/lenalidomide-s1029.html

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/02252511162D

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    1.2124    7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207   11.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   13.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   14.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0141    9.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6961    7.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
M  END
>  <Mol_ID> (16)
17

>  <Formula> (16)
C22H29N5O9P2

>  <MolWeight> (16)
569.441282

>  <Cat> (16)
S1032

>  <Name> (16)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (16)
N/A

>  <Target> (16)
c-Kit,PDGFR,VEGFR

>  <Form> (16)
Diphosphate

>  <CAS> (16)
857876-30-3

>  <URL> (16)
http://selleckchem.com/products/Motesanib-Diphosphate.html

$$$$
untitled.cdx
csChFnd80/02252511162D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   14.4941    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7023    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9148    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1272    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (17)
18

>  <Formula> (17)
C28H22F3N7O

>  <MolWeight> (17)
529.5157896

>  <Cat> (17)
S1033

>  <Name> (17)
Nilotinib (AMN-107)

>  <Synonyms> (17)
AMN-107

>  <Target> (17)
AMPK,Autophagy,Bcr-Abl

>  <Form> (17)
free base

>  <CAS> (17)
641571-10-0

>  <URL> (17)
http://selleckchem.com/products/Nilotinib.html

$$$$
untitled.cdx
csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 24  2  0  0  0  0
 24 29  1  0  0  0  0
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 29 26  2  0  0  0  0
 27 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (18)
19

>  <Formula> (18)
C21H24ClN7O2S

>  <MolWeight> (18)
473.97896

>  <Cat> (18)
S1035

>  <Name> (18)
Pazopanib HCl (GW786034 HCl)

>  <Synonyms> (18)
GW786034 HCl

>  <Target> (18)
Autophagy,c-Kit,CSF-1R,FGFR,PDGFR,VEGFR

>  <Form> (18)
Hydrochloride

>  <CAS> (18)
635702-64-6

>  <URL> (18)
http://selleckchem.com/products/Pazopanib-Hydrochloride.html

$$$$
untitled.cdx
csChFnd80/02252511162D

 26 27  0  0  0  0  0  0  0  0999 V2000
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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
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  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 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
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 19  2  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (19)
20

>  <Formula> (19)
C16H14F3IN2O4

>  <MolWeight> (19)
482.1930396

>  <Cat> (19)
S1036

>  <Name> (19)
Mirdametinib (PD0325901)

>  <Synonyms> (19)
N/A

>  <Target> (19)
MEK

>  <Form> (19)
free base

>  <CAS> (19)
391210-10-9

>  <URL> (19)
http://selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/02252511162D

 26 30  0  0  0  0  0  0  0  0999 V2000
    4.1161    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3823    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3286    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  7  1  0  0  0  0
M  END
>  <Mol_ID> (20)
21

>  <Formula> (20)
C19H16N4O3

>  <MolWeight> (20)
348.35534

>  <Cat> (20)
S1038

>  <Name> (20)
PI-103

>  <Synonyms> (20)
N/A

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

>  <Form> (20)
free base

>  <CAS> (20)
371935-74-9

>  <URL> (20)
http://selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/02252511162D

 65 68  0  0  0  0  0  0  0  0999 V2000
    3.0668   14.6292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3668   13.4168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0668   12.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4668   14.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
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 50 51  1  0  0  0  0
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 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
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 58 60  1  6  0  0  0
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M  END
>  <Mol_ID> (21)
22

>  <Formula> (21)
C51H79NO13

>  <MolWeight> (21)
914.17186

>  <Cat> (21)
S1039

>  <Name> (21)
Rapamycin (AY-22989)

>  <Synonyms> (21)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (21)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (21)
free base

>  <CAS> (21)
53123-88-9

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

$$$$

csChFnd80/02252511162D

 43 45  0  0  0  0  0  0  0  0999 V2000
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    2.7999   -5.5975    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2206   -4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8988  -13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5319  -11.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4781  -14.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9930  -12.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905  -15.2051    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 28 23  1  0  0  0  0
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  8  9  1  0  0  0  0
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 36 37  1  0  0  0  0
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 40 41  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
23

>  <Formula> (22)
C28H24ClF3N4O6S

>  <MolWeight> (22)
637.0265696

>  <Cat> (22)
S1040

>  <Name> (22)
Sorafenib (BAY 43-9006) tosylate

>  <Synonyms> (22)
BAY 43-9006 tosylate,NSC-724772 tosylate

>  <Target> (22)
Apoptosis related,Autophagy,c-Kit,Ferroptosis,FGFR,FLT3,PDGFR,Raf,VEGFR

>  <Form> (22)
Tosylate

>  <CAS> (22)
475207-59-1

>  <URL> (22)
http://selleckchem.com/products/Sorafenib-Tosylate.html

$$$$

csChFnd80/02252511162D

 38 39  0  0  0  0  0  0  0  0999 V2000
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    4.0124   -9.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2291  -10.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4458   -9.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4458   -8.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2291   -7.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -7.8659    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819  -10.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6076   -9.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819   -8.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0076   -9.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2145   -6.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5839   -6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -7.4493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 15 24  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
24

>  <Formula> (23)
C26H33FN4O7

>  <MolWeight> (23)
532.5612232

>  <Cat> (23)
S1042

>  <Name> (23)
Sunitinib (SU11248) malate

>  <Synonyms> (23)
N/A

>  <Target> (23)
Apoptosis related,c-Kit,IRE1,Mitophagy,PDGFR,VEGFR

>  <Form> (23)
Malate

>  <CAS> (23)
341031-54-7

>  <URL> (23)
http://selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/02252511162D

 33 37  0  0  0  0  0  0  0  0999 V2000
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    7.1502    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3626    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7253    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4248    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6272    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9895    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 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  9  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 18 26  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 30  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
>  <Mol_ID> (24)
25

>  <Formula> (24)
C23H28N8OS

>  <MolWeight> (24)
464.58642

>  <Cat> (24)
S1048

>  <Name> (24)
Tozasertib

>  <Synonyms> (24)
VX-680, MK-0457

>  <Target> (24)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (24)
free base

>  <CAS> (24)
639089-54-6

>  <URL> (24)
http://selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/02252511162D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.0971    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3971    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9971    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2971    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9971    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3971    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4971    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1971    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1971    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6971    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2971    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5971    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2971    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6971    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3971    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8971    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1971    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1971    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6246    1.8187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
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  1  7  1  1  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  9 12  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (25)
26

>  <Formula> (25)
C14H23Cl2N3O

>  <MolWeight> (25)
320.25792

>  <Cat> (25)
S1049

>  <Name> (25)
Y-27632 2HCl

>  <Synonyms> (25)
N/A

>  <Target> (25)
Autophagy,ROCK

>  <Form> (25)
Dihydrochloride

>  <CAS> (25)
129830-38-2

>  <URL> (25)
http://selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (26)
27

>  <Formula> (26)
C32H29N5O2

>  <MolWeight> (26)
515.60496

>  <Cat> (26)
S1055

>  <Name> (26)
Enzastaurin (LY317615)

>  <Synonyms> (26)
N/A

>  <Target> (26)
PKC

>  <Form> (26)
free base

>  <CAS> (26)
170364-57-5

>  <URL> (26)
http://selleckchem.com/products/Enzastaurin.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (27)
28

>  <Formula> (27)
C28H30N6OS

>  <MolWeight> (27)
498.6424

>  <Cat> (27)
S1064

>  <Name> (27)
Masitinib (AB1010)

>  <Synonyms> (27)
N/A

>  <Target> (27)
c-Kit,PDGFR

>  <Form> (27)
free base

>  <CAS> (27)
790299-79-5

>  <URL> (27)
http://selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (28)
29

>  <Formula> (28)
C23H27N7O3S2

>  <MolWeight> (28)
513.63558

>  <Cat> (28)
S1065

>  <Name> (28)
Pictilisib (GDC-0941)

>  <Synonyms> (28)
RG7321

>  <Target> (28)
Apoptosis related,Autophagy,PI3K

>  <Form> (28)
free base

>  <CAS> (28)
957054-30-7

>  <URL> (28)
http://selleckchem.com/products/GDC-0941.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (29)
30

>  <Formula> (29)
C22H16N4O3

>  <MolWeight> (29)
384.38744

>  <Cat> (29)
S1067

>  <Name> (29)
SB431542

>  <Synonyms> (29)
N/A

>  <Target> (29)
TGF-beta/Smad

>  <Form> (29)
free base

>  <CAS> (29)
301836-41-9

>  <URL> (29)
http://selleckchem.com/products/SB-431542.html

$$$$
NVP-AUY922 .cdx
csChFnd80/02252511162D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
31

>  <Formula> (30)
C26H31N3O5

>  <MolWeight> (30)
465.54144

>  <Cat> (30)
S1069

>  <Name> (30)
Luminespib (NVP-AUY922)

>  <Synonyms> (30)
AUY-922, VER-52296

>  <Target> (30)
Apoptosis related,Autophagy,HSP (HSP90),IGF-1R

>  <Form> (30)
free base

>  <CAS> (30)
747412-49-3

>  <URL> (30)
http://selleckchem.com/products/NVP-AUY922.html

$$$$
1.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (31)
32

>  <Formula> (31)
C19H21F2N7O2

>  <MolWeight> (31)
417.4125464

>  <Cat> (31)
S1072

>  <Name> (31)
ZSTK474

>  <Synonyms> (31)
N/A

>  <Target> (31)
PI3K

>  <Form> (31)
free base

>  <CAS> (31)
475110-96-4

>  <URL> (31)
http://selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (32)
33

>  <Formula> (32)
C19H12Cl2N2O2

>  <MolWeight> (32)
371.21678

>  <Cat> (32)
S1075

>  <Name> (32)
SB216763

>  <Synonyms> (32)
N/A

>  <Target> (32)
Autophagy,GSK-3

>  <Form> (32)
free base

>  <CAS> (32)
280744-09-4

>  <URL> (32)
http://selleckchem.com/products/SB-216763.html

$$$$
SB203580.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (33)
34

>  <Formula> (33)
C21H16FN3OS

>  <MolWeight> (33)
377.4346432

>  <Cat> (33)
S1076

>  <Name> (33)
Adezmapimod (SB203580)

>  <Synonyms> (33)
RWJ 64809, PB 203580

>  <Target> (33)
Mitophagy,p38 MAPK

>  <Form> (33)
Free Base

>  <CAS> (33)
152121-47-6

>  <URL> (33)
http://selleckchem.com/products/SB-203580.html

$$$$
1.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (34)
35

>  <Formula> (34)
C20H14FN3O

>  <MolWeight> (34)
331.3430632

>  <Cat> (34)
S1077

>  <Name> (34)
SB202190 (FHPI)

>  <Synonyms> (34)
N/A

>  <Target> (34)
Apoptosis related,Autophagy,Ferroptosis,p38 MAPK

>  <Form> (34)
free base

>  <CAS> (34)
152121-30-7

>  <URL> (34)
http://selleckchem.com/products/SB-202190.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (35)
36

>  <Formula> (35)
C25H23Cl2N5O

>  <MolWeight> (35)
480.38902

>  <Cat> (35)
S1078

>  <Name> (35)
MK-2206 2HCl

>  <Synonyms> (35)
N/A

>  <Target> (35)
Akt,Apoptosis related,Autophagy

>  <Form> (35)
Dihydrochloride

>  <CAS> (35)
1032350-13-2

>  <URL> (35)
http://selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (36)
37

>  <Formula> (36)
C28H30ClN5O4S

>  <MolWeight> (36)
568.0869

>  <Cat> (36)
S1080

>  <Name> (36)
SU11274

>  <Synonyms> (36)
PKI-SU11274

>  <Target> (36)
Apoptosis related,Autophagy,c-Met

>  <Form> (36)
free base

>  <CAS> (36)
658084-23-2

>  <URL> (36)
http://selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (37)
38

>  <Formula> (37)
C19H19FN4O3

>  <MolWeight> (37)
370.3775632

>  <Cat> (37)
S1084

>  <Name> (37)
Brivanib (BMS-540215)

>  <Synonyms> (37)
N/A

>  <Target> (37)
FGFR,VEGFR

>  <Form> (37)
free base

>  <CAS> (37)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (38)
39

>  <Formula> (38)
C28H31N5O

>  <MolWeight> (38)
453.57864

>  <Cat> (38)
S1088

>  <Name> (38)
NVP-ADW742

>  <Synonyms> (38)
GSK 552602A, ADW742

>  <Target> (38)
IGF-1R

>  <Form> (38)
Free Base

>  <CAS> (38)
475488-23-4

>  <URL> (38)
http://selleckchem.com/products/NVP-ADW742.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (39)
40

>  <Formula> (39)
C21H17NO3S2

>  <MolWeight> (39)
395.49458

>  <Cat> (39)
S1092

>  <Name> (39)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (39)
N/A

>  <Target> (39)
ATM/ATR,Autophagy,ULK

>  <Form> (39)
free base

>  <CAS> (39)
587871-26-9

>  <URL> (39)
http://selleckchem.com/products/KU-55933.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (40)
41

>  <Formula> (40)
C44H47F2N9O5S

>  <MolWeight> (40)
851.9630864

>  <Cat> (40)
S1093

>  <Name> (40)
GSK1904529A

>  <Synonyms> (40)
GSK 4529

>  <Target> (40)
IGF-1R

>  <Form> (40)
free base

>  <CAS> (40)
1089283-49-7

>  <URL> (40)
http://selleckchem.com/products/GSK1904529A.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (41)
42

>  <Formula> (41)
C19H16N8O

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372.38334

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S1094

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PF-04217903

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N/A

>  <Target> (41)
c-Met

>  <Form> (41)
free base

>  <CAS> (41)
956905-27-4

>  <URL> (41)
http://selleckchem.com/products/PF-04217903.html

$$$$
1.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (42)
43

>  <Formula> (42)
C25H15ClF2N4O2

>  <MolWeight> (42)
476.8620064

>  <Cat> (42)
S1100

>  <Name> (42)
MLN8054

>  <Synonyms> (42)
N/A

>  <Target> (42)
Aurora Kinase

>  <Form> (42)
free base

>  <CAS> (42)
869363-13-3

>  <URL> (42)
http://selleckchem.com/products/MLN8054.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (43)
44

>  <Formula> (43)
C20H17Cl3N4

>  <MolWeight> (43)
419.73478

>  <Cat> (43)
S1101

>  <Name> (43)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (43)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (43)
VEGFR

>  <Form> (43)
Dihydrochloride

>  <CAS> (43)
212141-51-0

>  <URL> (43)
http://selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

$$$$
zm447439.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (44)
45

>  <Formula> (44)
C29H31N5O4

>  <MolWeight> (44)
513.58754

>  <Cat> (44)
S1103

>  <Name> (44)
ZM 447439

>  <Synonyms> (44)
N/A

>  <Target> (44)
Aurora Kinase

>  <Form> (44)
free base

>  <CAS> (44)
331771-20-1

>  <URL> (44)
http://selleckchem.com/products/ZM-447439.html

$$$$
GDC-0879.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (45)
46

>  <Formula> (45)
C19H18N4O2

>  <MolWeight> (45)
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S1104

>  <Name> (45)
GDC-0879

>  <Synonyms> (45)
AR-00341677

>  <Target> (45)
Raf

>  <Form> (45)
free base

>  <CAS> (45)
905281-76-7

>  <URL> (45)
http://selleckchem.com/products/GDC-0879.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (46)
47

>  <Formula> (46)
C19H17NO3

>  <MolWeight> (46)
307.34318

>  <Cat> (46)
S1105

>  <Name> (46)
LY294002

>  <Synonyms> (46)
SF 1101, NSC 697286

>  <Target> (46)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (46)
free base

>  <CAS> (46)
154447-36-6

>  <URL> (46)
http://selleckchem.com/products/LY294002.html

$$$$
OSU 03012.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (47)
48

>  <Formula> (47)
C26H19F3N4O

>  <MolWeight> (47)
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>  <Cat> (47)
S1106

>  <Name> (47)
OSU-03012 (AR-12)

>  <Synonyms> (47)
N/A

>  <Target> (47)
PDPK1

>  <Form> (47)
free base

>  <CAS> (47)
742112-33-0

>  <URL> (47)
http://selleckchem.com/products/OSU-03012.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (48)
50

>  <Formula> (48)
C26H30N6O3

>  <MolWeight> (48)
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>  <Cat> (48)
S1107

>  <Name> (48)
Danusertib (PHA-739358)

>  <Synonyms> (48)
N/A

>  <Target> (48)
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor

>  <Form> (48)
free base

>  <CAS> (48)
827318-97-8

>  <URL> (48)
http://selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (49)
51

>  <Formula> (49)
C28H39N7O3

>  <MolWeight> (49)
521.65436

>  <Cat> (49)
S1109

>  <Name> (49)
BI 2536

>  <Synonyms> (49)
N/A

>  <Target> (49)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Myc,PLK

>  <Form> (49)
free base

>  <CAS> (49)
755038-02-9

>  <URL> (49)
http://selleckchem.com/products/BI-2536.html

$$$$
1.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (50)
52

>  <Formula> (50)
C34H34F2N4O6

>  <MolWeight> (50)
632.6537664

>  <Cat> (50)
S1111

>  <Name> (50)
Foretinib (GSK1363089)

>  <Synonyms> (50)
EXEL-2880, XL-880, GSK089

>  <Target> (50)
c-Kit,c-Met,FLT3,PDGFR,VEGFR

>  <Form> (50)
free base

>  <CAS> (50)
849217-64-7

>  <URL> (50)
http://selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (51)
53

>  <Formula> (51)
C19H13F2N7

>  <MolWeight> (51)
377.3502264

>  <Cat> (51)
S1114

>  <Name> (51)
JNJ-38877605

>  <Synonyms> (51)
N/A

>  <Target> (51)
c-Met

>  <Form> (51)
free base

>  <CAS> (51)
943540-75-8

>  <URL> (51)
http://selleckchem.com/products/JNJ-38877605.html

$$$$
Everolimus.cdx
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M  END
>  <Mol_ID> (52)
54

>  <Formula> (52)
C53H83NO14

>  <MolWeight> (52)
958.22442

>  <Cat> (52)
S1120

>  <Name> (52)
Everolimus (RAD001)

>  <Synonyms> (52)
RAD001,SDZ-RAD, Afinitor

>  <Target> (52)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (52)
free base

>  <CAS> (52)
159351-69-6

>  <URL> (52)
http://selleckchem.com/products/Everolimus(RAD001).html

$$$$
mln8237.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (53)
55

>  <Formula> (53)
C27H20ClFN4O4

>  <MolWeight> (53)
518.9235032

>  <Cat> (53)
S1133

>  <Name> (53)
Alisertib (MLN8237)

>  <Synonyms> (53)
N/A

>  <Target> (53)
Apoptosis related,Aurora Kinase,Autophagy

>  <Form> (53)
free base

>  <CAS> (53)
1028486-01-2

>  <URL> (53)
http://selleckchem.com/products/MLN8237.html

$$$$
XL-184 free base.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (54)
56

>  <Formula> (54)
C28H24FN3O5

>  <MolWeight> (54)
501.5056632

>  <Cat> (54)
S1119

>  <Name> (54)
Cabozantinib (BMS-907351)

>  <Synonyms> (54)
XL184,BMS-907351

>  <Target> (54)
Apoptosis related,Axl,c-Met,VEGFR

>  <Form> (54)
Free Base

>  <CAS> (54)
849217-68-1

>  <URL> (54)
http://selleckchem.com/products/XL184.html

$$$$
AT9283.cdx
csChFnd80/02252511162D

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    6.0622    4.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4622    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7533    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7937    0.9368    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
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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  1 26  1  0  0  0  0
M  END
>  <Mol_ID> (55)
57

>  <Formula> (55)
C19H23N7O2

>  <MolWeight> (55)
381.43162

>  <Cat> (55)
S1134

>  <Name> (55)
AT9283

>  <Synonyms> (55)
N/A

>  <Target> (55)
Aurora Kinase,Bcr-Abl,JAK

>  <Form> (55)
free base

>  <CAS> (55)
896466-04-9

>  <URL> (55)
http://selleckchem.com/products/AT9283.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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    3.6373   12.6049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.0780   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6532   11.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 17  1  1  0  0  0
 13 19  1  6  0  0  0
 16 20  1  0  0  0  0
 16 21  1  6  0  0  0
 20 22  1  6  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  1  0  0  0
 27 32  1  0  0  0  0
 27 33  1  1  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
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 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
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  3 42  2  0  0  0  0
 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (56)
58

>  <Formula> (56)
C31H43N3O8

>  <MolWeight> (56)
585.68842

>  <Cat> (56)
S1141

>  <Name> (56)
Tanespimycin (17-AAG)

>  <Synonyms> (56)
CP127374, NSC-330507, KOS 953

>  <Target> (56)
Apoptosis related,Autophagy,HSP (HSP90),Mitophagy

>  <Form> (56)
free base

>  <CAS> (56)
75747-14-7

>  <URL> (56)
http://selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$

csChFnd80/02252511162D

 32 35  0  0  0  0  0  0  0  0999 V2000
   15.6809   -3.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4590   -5.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2651   -3.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4946   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4590   -6.9032    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.0393   -3.0440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1596   -4.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0095   -5.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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  9 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 13  1  0  0  0  0
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 21 18  2  0  0  0  0
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M  END
>  <Mol_ID> (57)
59

>  <Formula> (57)
C22H24FN5O4

>  <MolWeight> (57)
441.4554632

>  <Cat> (57)
S1138

>  <Name> (57)
Brivanib Alaninate (BMS-582664)

>  <Synonyms> (57)
N/A

>  <Target> (57)
FGFR,VEGFR

>  <Form> (57)
Alaninate

>  <CAS> (57)
649735-63-7

>  <URL> (57)
http://selleckchem.com/products/Brivanib-alaninate.html

$$$$
untitled.cdx
csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (58)
61

>  <Formula> (58)
C17H24N4O2S2

>  <MolWeight> (58)
380.52806

>  <Cat> (58)
S1145

>  <Name> (58)
SNS-032 (BMS-387032)

>  <Synonyms> (58)
N/A

>  <Target> (58)
Apoptosis related,CDK

>  <Form> (58)
free base

>  <CAS> (58)
345627-80-7

>  <URL> (58)
http://selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
csChFnd80/02252511162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   10.8783    6.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    7.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5156    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    5.5459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (59)
62

>  <Formula> (59)
C26H30FN7O3

>  <MolWeight> (59)
507.5599032

>  <Cat> (59)
S1147

>  <Name> (59)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (59)
AZD2811, INH-34, Barasertib-HQPA , Defosbarasertib

>  <Target> (59)
Aurora Kinase

>  <Form> (59)
free base

>  <CAS> (59)
722544-51-6

>  <URL> (59)
http://selleckchem.com/products/AZD1152-HQPA.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (60)
63

>  <Formula> (60)
C17H14ClF2N3O3S

>  <MolWeight> (60)
413.8261664

>  <Cat> (60)
S1152

>  <Name> (60)
PLX-4720

>  <Synonyms> (60)
N/A

>  <Target> (60)
Raf

>  <Form> (60)
free base

>  <CAS> (60)
918505-84-7

>  <URL> (60)
http://selleckchem.com/products/PLX-4720.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (61)
64

>  <Formula> (61)
C19H26N6O

>  <MolWeight> (61)
354.44934

>  <Cat> (61)
S1153

>  <Name> (61)
Roscovitine (CYC202)

>  <Synonyms> (61)
Seliciclib, R-roscovitine

>  <Target> (61)
CDK

>  <Form> (61)
free base

>  <CAS> (61)
186692-46-6

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

$$$$
CP-724,714.cdx
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>  <Mol_ID> (62)
65

>  <Formula> (62)
C27H27N5O3

>  <MolWeight> (62)
469.53498

>  <Cat> (62)
S1167

>  <Name> (62)
CP-724714

>  <Synonyms> (62)
N/A

>  <Target> (62)
EGFR,HER2

>  <Form> (62)
free base

>  <CAS> (62)
537705-08-1

>  <URL> (62)
http://selleckchem.com/products/CP-724714.html

$$$$
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free base

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663619-89-4

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http://selleckchem.com/products/TGX-221.html

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EGFR

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free base

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1214265-56-1

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http://selleckchem.com/products/WZ3146.html

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Aurora Kinase,VEGFR

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free base

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

>  <URL> (65)
http://selleckchem.com/products/CYC116.html

$$$$

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EGFR

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free base

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1213269-23-8

>  <URL> (66)
http://selleckchem.com/products/WZ4002.html

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PD98059

>  <Synonyms> (67)
N/A

>  <Target> (67)
AhR,MEK

>  <Form> (67)
free base

>  <CAS> (67)
167869-21-8

>  <URL> (67)
http://selleckchem.com/products/PD-98059.html

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71

>  <Formula> (68)
C21H15ClF4N4O3

>  <MolWeight> (68)
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>  <Cat> (68)
S1178

>  <Name> (68)
Regorafenib (BAY 73-4506)

>  <Synonyms> (68)
Fluoro-Sorafenib, Resihance, Stivarga,BAY 73-4506

>  <Target> (68)
Autophagy,c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (68)
free base

>  <CAS> (68)
755037-03-7

>  <URL> (68)
http://selleckchem.com/products/BAY-73-4506.html

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>  <Mol_ID> (69)
72

>  <Formula> (69)
C24H25ClN6OS

>  <MolWeight> (69)
481.0129

>  <Cat> (69)
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>  <Name> (69)
WZ8040

>  <Synonyms> (69)
N/A

>  <Target> (69)
EGFR

>  <Form> (69)
free base

>  <CAS> (69)
1214265-57-2

>  <URL> (69)
http://selleckchem.com/products/WZ8040.html

$$$$
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>  <Mol_ID> (70)
73

>  <Formula> (70)
C21H25N7

>  <MolWeight> (70)
375.4701

>  <Cat> (70)
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>  <Name> (70)
ENMD-2076

>  <Synonyms> (70)
N/A

>  <Target> (70)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (70)
Tartaric Acid

>  <CAS> (70)
934353-76-1

>  <URL> (70)
http://selleckchem.com/products/enmd-2076.html

$$$$
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  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (71)
74

>  <Formula> (71)
C23H21F7N4O3

>  <MolWeight> (71)
534.4266624

>  <Cat> (71)
S1189

>  <Name> (71)
Aprepitant (MK-0869)

>  <Synonyms> (71)
MK-0869, L-754030, Emend

>  <Target> (71)
CSF-1R,HIV,Interleukins,Neurokinin Receptor,TNF-alpha

>  <Form> (71)
free base

>  <CAS> (71)
170729-80-3

>  <URL> (71)
http://selleckchem.com/products/Aprepitant.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (72)
75

>  <Formula> (72)
C24H26N4O4

>  <MolWeight> (72)
434.48764

>  <Cat> (72)
S1194

>  <Name> (72)
CUDC-101

>  <Synonyms> (72)
N/A

>  <Target> (72)
EGFR,HDAC,HER2

>  <Form> (72)
free base

>  <CAS> (72)
1012054-59-9

>  <URL> (72)
http://selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/02252511162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    6.9903    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1830    4.8371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   13.2781    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (73)
76

>  <Formula> (73)
C22H19ClN4O5

>  <MolWeight> (73)
454.86306

>  <Cat> (73)
S1207

>  <Name> (73)
Tivozanib (AV-951)

>  <Synonyms> (73)
KRN-951

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

>  <Form> (73)
free base

>  <CAS> (73)
475108-18-0

>  <URL> (73)
http://selleckchem.com/products/AV-951.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/02252511162D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
77

>  <Formula> (74)
C27H30ClNO11

>  <MolWeight> (74)
579.9802

>  <Cat> (74)
S1208

>  <Name> (74)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (74)
NSC 123127, DOX, Doxorubicin hydrochloride, Hydroxydaunorubicin HCl,Adriamycin HCl

>  <Target> (74)
ADC Cytotoxin,AMPK,Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,HIV,Mitophagy,Topoisomerase

>  <Form> (74)
Hydrochloride

>  <CAS> (74)
25316-40-9

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

$$$$
OSI-930.cdx
csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Target> (75)
c-Kit,CSF-1R,VEGFR

>  <Form> (75)
free base

>  <CAS> (75)
728033-96-3

>  <URL> (75)
http://selleckchem.com/products/OSI-930.html

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79

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C25H31N5O4

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>  <Name> (76)
KU-0063794

>  <Synonyms> (76)
N/A

>  <Target> (76)
mTOR

>  <Form> (76)
free base

>  <CAS> (76)
938440-64-3

>  <URL> (76)
http://selleckchem.com/products/KU-0063794.html

$$$$
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>  <Mol_ID> (77)
80

>  <Formula> (77)
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>  <Cat> (77)
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>  <Name> (77)
Amuvatinib (MP-470)

>  <Synonyms> (77)
HPK 56

>  <Target> (77)
Apoptosis related,c-Kit,c-Met,c-RET,FLT3,PDGFR,RAD51

>  <Form> (77)
free base

>  <CAS> (77)
850879-09-3

>  <URL> (77)
http://selleckchem.com/products/MP-470.html

$$$$
leflunomide.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (78)
81

>  <Formula> (78)
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>  <Cat> (78)
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>  <Name> (78)
Leflunomide (HWA486)

>  <Synonyms> (78)
HWA486, RS-34821, SU101, Arava

>  <Target> (78)
AhR,Dehydrogenase

>  <Form> (78)
free base

>  <CAS> (78)
75706-12-6

>  <URL> (78)
http://selleckchem.com/products/Leflunomide.html

$$$$
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>  <Mol_ID> (79)
82

>  <Formula> (79)
C15H12F2N6O3S

>  <MolWeight> (79)
394.3559864

>  <Cat> (79)
S1249

>  <Name> (79)
JNJ-7706621

>  <Synonyms> (79)
N/A

>  <Target> (79)
Aurora Kinase,CDK

>  <Form> (79)
free base

>  <CAS> (79)
443797-96-4

>  <URL> (79)
http://selleckchem.com/products/JNJ-7706621.html

$$$$
PD173074.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (80)
83

>  <Formula> (80)
C28H41N7O3

>  <MolWeight> (80)
523.67024

>  <Cat> (80)
S1264

>  <Name> (80)
PD173074

>  <Synonyms> (80)
N/A

>  <Target> (80)
Apoptosis related,FGFR,VEGFR

>  <Form> (80)
free base

>  <CAS> (80)
219580-11-7

>  <URL> (80)
http://selleckchem.com/products/PD-173074.html

$$$$
WYE-354.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (81)
84

>  <Formula> (81)
C24H29N7O5

>  <MolWeight> (81)
495.53096

>  <Cat> (81)
S1266

>  <Name> (81)
WYE-354

>  <Synonyms> (81)
N/A

>  <Target> (81)
mTOR

>  <Form> (81)
free base

>  <CAS> (81)
1062169-56-5

>  <URL> (81)
http://selleckchem.com/products/WYE-354.html

$$$$
PLX-4032.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (82)
85

>  <Formula> (82)
C23H18ClF2N3O3S

>  <MolWeight> (82)
489.9221264

>  <Cat> (82)
S1267

>  <Name> (82)
Vemurafenib (PLX4032)

>  <Synonyms> (82)
RG7204, RO5185426,PLX4032

>  <Target> (82)
Autophagy,Raf

>  <Form> (82)
free base

>  <CAS> (82)
918504-65-1

>  <URL> (82)
http://selleckchem.com/products/PLX-4032.html

$$$$
Genistein.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (83)
86

>  <Formula> (83)
C15H10O5

>  <MolWeight> (83)
270.2369

>  <Cat> (83)
S1342

>  <Name> (83)
Genistein (NPI 031L)

>  <Synonyms> (83)
NPI 031L

>  <Target> (83)
EGFR,Topoisomerase

>  <Form> (83)
free base

>  <CAS> (83)
446-72-0

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

$$$$
TG100-115.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (84)
87

>  <Formula> (84)
C18H14N6O2

>  <MolWeight> (84)
346.34276

>  <Cat> (84)
S1352

>  <Name> (84)
TG100-115

>  <Synonyms> (84)
N/A

>  <Target> (84)
PI3K

>  <Form> (84)
free base

>  <CAS> (84)
677297-51-7

>  <URL> (84)
http://selleckchem.com/products/TG100-115.html

$$$$
mgcd265.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (85)
88

>  <Formula> (85)
C26H20FN5O2S2

>  <MolWeight> (85)
517.5977032

>  <Cat> (85)
S1361

>  <Name> (85)
MGCD-265 analog

>  <Synonyms> (85)
N/A

>  <Target> (85)
c-Met,RON,Tie-2,VEGFR

>  <Form> (85)
free base

>  <CAS> (85)
875337-44-3

>  <URL> (85)
https://www.selleckchem.com/products/mgcd-265-analog.html

$$$$
ON-01910.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (86)
89

>  <Formula> (86)
C21H24NNaO8S

>  <MolWeight> (86)
473.47193

>  <Cat> (86)
S1362

>  <Name> (86)
Rigosertib (ON-01910)

>  <Synonyms> (86)
N/A

>  <Target> (86)
Akt,Apoptosis related,PI3K,PLK

>  <Form> (86)
Sodium Salt

>  <CAS> (86)
1225497-78-8

>  <URL> (86)
http://selleckchem.com/products/ON-01910.html

$$$$
KI8751.cdx
csChFnd80/02252511162D

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   12.1033    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    8.3879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  6 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 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
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 32 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (87)
90

>  <Formula> (87)
C24H18F3N3O4

>  <MolWeight> (87)
469.4126296

>  <Cat> (87)
S1363

>  <Name> (87)
Ki8751

>  <Synonyms> (87)
N/A

>  <Target> (87)
c-Kit,PDGFR,VEGFR

>  <Form> (87)
free base

>  <CAS> (87)
228559-41-9

>  <URL> (87)
http://selleckchem.com/products/Ki8751.html

$$$$
resveratrol.cdx
csChFnd80/02252511162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0963    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7239    4.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    4.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8096    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (88)
93

>  <Formula> (88)
C14H12O3

>  <MolWeight> (88)
228.24328

>  <Cat> (88)
S1396

>  <Name> (88)
Resveratrol (SRT501)

>  <Synonyms> (88)
trans-Resveratrol,SRT501

>  <Target> (88)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (88)
free base

>  <CAS> (88)
501-36-0

>  <URL> (88)
http://selleckchem.com/products/Resveratrol.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/02252511162D

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   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (89)
94

>  <Formula> (89)
C31H31ClFN7O2

>  <MolWeight> (89)
588.0749432

>  <Cat> (89)
S1451

>  <Name> (89)
Aurora A Inhibitor I (TC-S 7010)

>  <Synonyms> (89)
N/A

>  <Target> (89)
Apoptosis related,Aurora Kinase

>  <Form> (89)
free base

>  <CAS> (89)
1158838-45-9

>  <URL> (89)
http://selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/02252511162D

 37 41  0  0  0  0  0  0  0  0999 V2000
    5.5914   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3828   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849   11.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892   11.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297   11.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297   11.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (90)
95

>  <Formula> (90)
C28H35N7O2

>  <MolWeight> (90)
501.6232

>  <Cat> (90)
S1454

>  <Name> (90)
PHA-680632

>  <Synonyms> (90)
N/A

>  <Target> (90)
Aurora Kinase

>  <Form> (90)
free base

>  <CAS> (90)
398493-79-3

>  <URL> (90)
http://selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (91)
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>  <Formula> (91)
C15H13N5OS

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Thiazovivin

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N/A

>  <Target> (91)
ROCK

>  <Form> (91)
free base

>  <CAS> (91)
1226056-71-8

>  <URL> (91)
http://selleckchem.com/products/Thiazovivin.html

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>  <Mol_ID> (92)
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>  <Formula> (92)
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>  <Synonyms> (92)
Nsc75890

>  <Target> (92)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (92)
free base

>  <CAS> (92)
129-56-6

>  <URL> (92)
http://selleckchem.com/products/SP600125.html

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>  <Mol_ID> (93)
98

>  <Formula> (93)
C18H18N2O3

>  <MolWeight> (93)
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>  <Cat> (93)
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>  <Name> (93)
Orantinib (SU6668)

>  <Synonyms> (93)
TSU-68

>  <Target> (93)
PDGFR

>  <Form> (93)
free base

>  <CAS> (93)
252916-29-3

>  <URL> (93)
http://selleckchem.com/products/TSU-68(SU6668).html

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>  <Formula> (94)
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>  <Cat> (94)
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>  <Name> (94)
GSK429286A

>  <Synonyms> (94)
RHO-15

>  <Target> (94)
ROCK

>  <Form> (94)
free base

>  <CAS> (94)
864082-47-3

>  <URL> (94)
http://selleckchem.com/products/GSK429286A.html

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>  <Formula> (95)
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>  <Form> (95)
free base

>  <CAS> (95)
1236699-92-5

>  <URL> (95)
http://selleckchem.com/products/AS703026.html

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free base

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356559-20-1

>  <URL> (96)
http://selleckchem.com/products/SB-525334.html

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HMN-214

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N/A

>  <Target> (97)
PLK

>  <Form> (97)
free base

>  <CAS> (97)
173529-46-9

>  <URL> (97)
http://selleckchem.com/products/HMN-214.html

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AEE788 (NVP-AEE788)

>  <Synonyms> (98)
N/A

>  <Target> (98)
EGFR,HER2,VEGFR

>  <Form> (98)
free base

>  <CAS> (98)
497839-62-0

>  <URL> (98)
http://selleckchem.com/products/AEE788.html

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>  <Mol_ID> (99)
104

>  <Formula> (99)
C19H31N5O2

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PHA-793887

>  <Synonyms> (99)
N/A

>  <Target> (99)
Apoptosis related,CDK

>  <Form> (99)
free base

>  <CAS> (99)
718630-59-2

>  <URL> (99)
http://selleckchem.com/products/PHA-793887.html

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>  <Formula> (100)
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N/A

>  <Target> (100)
PI4K

>  <Form> (100)
free base

>  <CAS> (100)
593960-11-3

>  <URL> (100)
http://selleckchem.com/products/PIK-93.html

$$$$
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106

>  <Formula> (101)
C29H27F3N6O

>  <MolWeight> (101)
532.5594896

>  <Cat> (101)
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>  <Name> (101)
Ponatinib (AP24534)

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AP24534

>  <Target> (101)
Autophagy,Bcr-Abl,FGFR,PDGFR,Src,VEGFR

>  <Form> (101)
free base

>  <CAS> (101)
943319-70-8

>  <URL> (101)
http://selleckchem.com/products/AP24534.html

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P529.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (102)
107

>  <Formula> (102)
C24H22O6

>  <MolWeight> (102)
406.42788

>  <Cat> (102)
S2238

>  <Name> (102)
Palomid 529 (P529)

>  <Synonyms> (102)
SG 00529

>  <Target> (102)
mTOR

>  <Form> (102)
free base

>  <CAS> (102)
914913-88-5

>  <URL> (102)
http://selleckchem.com/products/Palomid-529-P529.html

$$$$
XL-765.cdx
csChFnd80/02252511162D

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108

>  <Formula> (103)
C31H29N5O6S

>  <MolWeight> (103)
599.65686

>  <Cat> (103)
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>  <Name> (103)
Voxtalisib (XL765) Analogue

>  <Synonyms> (103)
SAR245409

>  <Target> (103)
mTOR,PI3K

>  <Form> (103)
free base

>  <CAS> (103)
1349796-36-6

>  <URL> (103)
http://selleckchem.com/products/XL765(SAR245409).html

$$$$
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M  END
>  <Mol_ID> (104)
109

>  <Formula> (104)
C16H17Cl2N5O2

>  <MolWeight> (104)
382.24448

>  <Cat> (104)
S1524

>  <Name> (104)
AT7519

>  <Synonyms> (104)
N/A

>  <Target> (104)
Apoptosis related,CDK,GSK-3

>  <Form> (104)
Free Base

>  <CAS> (104)
844442-38-2

>  <URL> (104)
http://selleckchem.com/products/AT7519.html

$$$$
MK-1775.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (105)
110

>  <Formula> (105)
C27H32N8O2

>  <MolWeight> (105)
500.59538

>  <Cat> (105)
S1525

>  <Name> (105)
Adavosertib (MK-1775)

>  <Synonyms> (105)
AZD1775

>  <Target> (105)
Wee1

>  <Form> (105)
free base

>  <CAS> (105)
955365-80-7

>  <URL> (105)
http://selleckchem.com/products/MK-1775.html

$$$$
AC220.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (106)
111

>  <Formula> (106)
C29H32N6O4S

>  <MolWeight> (106)
560.66718

>  <Cat> (106)
S1526

>  <Name> (106)
Quizartinib (AC220)

>  <Synonyms> (106)
N/A

>  <Target> (106)
Apoptosis related,FLT3,Target Protein Ligand

>  <Form> (106)
free base

>  <CAS> (106)
950769-58-1

>  <URL> (106)
http://selleckchem.com/products/AC-220.html

$$$$
Hesperadin .cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (107)
112

>  <Formula> (107)
C29H32N4O3S

>  <MolWeight> (107)
516.65438

>  <Cat> (107)
S1529

>  <Name> (107)
Hesperadin

>  <Synonyms> (107)
N/A

>  <Target> (107)
Aurora Kinase

>  <Form> (107)
free base

>  <CAS> (107)
422513-13-1

>  <URL> (107)
http://selleckchem.com/products/Hesperadin.html

$$$$
BIX02188.cdx
csChFnd80/02252511162D

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MEK

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free base

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1094614-84-2

>  <URL> (108)
http://selleckchem.com/products/BIX-02188.html

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ERK,MEK

>  <Form> (109)
free base

>  <CAS> (109)
1094614-85-3

>  <URL> (109)
http://selleckchem.com/products/BIX-02189.html

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N/A

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Chk

>  <Form> (110)
free base

>  <CAS> (110)
860352-01-8

>  <URL> (110)
http://selleckchem.com/products/AZD7762.html

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Apoptosis related,FLT3,Syk

>  <Form> (111)
free base

>  <CAS> (111)
841290-80-0

>  <URL> (111)
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>  <Mol_ID> (112)
117

>  <Formula> (112)
C25H31N5O4

>  <MolWeight> (112)
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>  <Cat> (112)
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>  <Name> (112)
AZD8055

>  <Synonyms> (112)
N/A

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

>  <Form> (112)
free base

>  <CAS> (112)
1009298-09-2

>  <URL> (112)
http://selleckchem.com/products/AZD8055.html

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csChFnd80/02252511162D

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>  <Mol_ID> (113)
118

>  <Formula> (113)
C20H31N3O2S2

>  <MolWeight> (113)
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>  <Cat> (113)
S1556

>  <Name> (113)
PHT-427

>  <Synonyms> (113)
CS-0223

>  <Target> (113)
Akt,PDPK1

>  <Form> (113)
free base

>  <CAS> (113)
1191951-57-1

>  <URL> (113)
http://selleckchem.com/products/PHT-427.html

$$$$
KRN633.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (114)
119

>  <Formula> (114)
C20H21ClN4O4

>  <MolWeight> (114)
416.85814

>  <Cat> (114)
S1557

>  <Name> (114)
KRN 633

>  <Synonyms> (114)
N/A

>  <Target> (114)
VEGFR

>  <Form> (114)
free base

>  <CAS> (114)
286370-15-8

>  <URL> (114)
http://selleckchem.com/products/KRN-633.html

$$$$
AT7867.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (115)
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>  <Formula> (115)
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>  <MolWeight> (115)
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>  <Cat> (115)
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>  <Name> (115)
AT7867

>  <Synonyms> (115)
N/A

>  <Target> (115)
Akt,S6 Kinase

>  <Form> (115)
free base

>  <CAS> (115)
857531-00-1

>  <URL> (115)
http://selleckchem.com/products/AT7867.html

$$$$
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Axl,c-Met,RON,Tyro3

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1025720-94-8

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http://selleckchem.com/products/BMS-777607.html

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free base

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391210-00-7

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http://selleckchem.com/products/PD318088.html

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ATM/ATR

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free base

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925701-49-1

>  <URL> (118)
http://selleckchem.com/products/KU-60019.html

$$$$
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BS-181 HCl

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N/A

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CDK

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>  <CAS> (119)
1397219-81-6

>  <URL> (119)
http://selleckchem.com/products/BS-181.html

$$$$
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (120)
125

>  <Formula> (120)
C14H18ClN3O2S

>  <MolWeight> (120)
327.82962

>  <Cat> (120)
S1573

>  <Name> (120)
Fasudil (HA-1077) HCl

>  <Synonyms> (120)
AT-877,HA-1077 HCl

>  <Target> (120)
Autophagy,Calcium Channel,MLCK,PKA,PKC,PKG,Rho,ROCK

>  <Form> (120)
Hydrochloride

>  <CAS> (120)
105628-07-7

>  <URL> (120)
http://selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/02252511162D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3036    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3532    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    7.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    5.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    5.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3875    8.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075   10.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252   10.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5702    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6510    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    6.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    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
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
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 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (121)
126

>  <Formula> (121)
C31H37N5O3

>  <MolWeight> (121)
527.65718

>  <Cat> (121)
S1574

>  <Name> (121)
Doramapimod (BIRB 796)

>  <Synonyms> (121)
N/A

>  <Target> (121)
JNK,p38 MAPK,Raf,Src

>  <Form> (121)
free base

>  <CAS> (121)
285983-48-4

>  <URL> (121)
http://selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/02252511162D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    6.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    6.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1375    4.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2233    3.4976    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   16.9209    2.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9209    4.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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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
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
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  5 13  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 18 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (122)
127

>  <Formula> (122)
C26H21N3O2S

>  <MolWeight> (122)
439.52884

>  <Cat> (122)
S1577

>  <Name> (122)
Tie2 kinase inhibitor

>  <Synonyms> (122)
N/A

>  <Target> (122)
Tie-2

>  <Form> (122)
free base

>  <CAS> (122)
948557-43-5

>  <URL> (122)
http://selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/02252511162D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6498   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2249   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6603  -11.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1311   -9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (123)
128

>  <Formula> (123)
C27H30Cl2F2N6O

>  <MolWeight> (123)
563.4695064

>  <Cat> (123)
S2686

>  <Name> (123)
NVP-BSK805 2HCl

>  <Synonyms> (123)
BSK805

>  <Target> (123)
JAK

>  <Form> (123)
HCl

>  <CAS> (123)
1092499-93-8 (free base)

>  <URL> (123)
http://selleckchem.com/products/nvp-bsk805.html

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/02252511162D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (124)
129

>  <Formula> (124)
C12H9N3O5S

>  <MolWeight> (124)
307.28196

>  <Cat> (124)
S1627

>  <Name> (124)
Nitazoxanide (NSC 697855)

>  <Synonyms> (124)
NTZ, NSC 697855

>  <Target> (124)
Autophagy,Influenza Virus,mTOR,Serotonin Transporter

>  <Form> (124)
free base

>  <CAS> (124)
55981-09-4

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

$$$$
Artemisinin.cdx
csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    3.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5019    4.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    5.4860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2405    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9757    2.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037    5.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560    4.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857    2.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  5 12  1  6  0  0  0
 11 13  1  6  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
  8 17  1  6  0  0  0
 16 18  1  1  0  0  0
 15 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  6  0  0  0
 21 22  1  0  0  0  0
  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (125)
130

>  <Formula> (125)
C15H22O5

>  <MolWeight> (125)
282.33218

>  <Cat> (125)
S1282

>  <Name> (125)
Artemisinin

>  <Synonyms> (125)
Qinghaosu,Artemisinine,Coartem,NSC 369397

>  <Target> (125)
ADC Cytotoxin,Anti-infection

>  <Form> (125)
free base

>  <CAS> (125)
63968-64-9

>  <URL> (125)
http://selleckchem.com/products/Artemisinin.html

$$$$
APRISO (mesalamine).cdx
csChFnd80/02252511162D

 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> (126)
131

>  <Formula> (126)
C7H7NO3

>  <MolWeight> (126)
153.13538

>  <Cat> (126)
S1681

>  <Name> (126)
Mesalamine (5-ASA)

>  <Synonyms> (126)
5-Aminosalicylic acid, 5-ASA, Mesalazine, Apriso, Asacol, Pentasa, Canasa

>  <Target> (126)
Immunology & Inflammation related,I¦ÊB/IKK

>  <Form> (126)
free base

>  <CAS> (126)
89-57-6

>  <URL> (126)
http://selleckchem.com/products/Mesalamine(Lialda).html

$$$$
DCC-2036.cdx
csChFnd80/02252511162D

 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> (127)
132

>  <Formula> (127)
C30H28FN7O3

>  <MolWeight> (127)
553.5868232

>  <Cat> (127)
S2634

>  <Name> (127)
Rebastinib (DCC-2036)

>  <Synonyms> (127)
N/A

>  <Target> (127)
Bcr-Abl

>  <Form> (127)
free base

>  <CAS> (127)
1020172-07-9

>  <URL> (127)
http://selleckchem.com/products/dcc-2036.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/02252511162D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5724    0.4686    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0935    1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934    2.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146    4.1721    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721    2.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9511    0.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
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 11  6  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 22 23  2  3  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
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 33 34  2  0  0  0  0
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 38 33  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  2  0  0  0  0
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 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
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 45 43  1  0  0  0  0
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 46 47  2  0  0  0  0
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 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 46  1  0  0  0  0
 49 52  1  0  0  0  0
 41 53  1  0  0  0  0
 53 54  2  3  0  0  0
 55 54  1  0  0  0  0
 55 56  1  6  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
 58 63  1  6  0  0  0
M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (128)
133

>  <Formula> (128)
C50H46CaF2N2O8

>  <MolWeight> (128)
880.9836464

>  <Cat> (128)
S1759

>  <Name> (128)
Pitavastatin (NK-104) calcium

>  <Synonyms> (128)
NK-104, P-872441, itavastatin, nisvastatin

>  <Target> (128)
Apoptosis related,Autophagy,COVID-19,HMG-CoA Reductase,Mitophagy

>  <Form> (128)
Calcium salt

>  <CAS> (128)
147526-32-7

>  <URL> (128)
http://selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (129)
134

>  <Formula> (129)
C10H13N5O4

>  <MolWeight> (129)
267.24132

>  <Cat> (129)
S1784

>  <Name> (129)
Vidarabine

>  <Synonyms> (129)
N/A

>  <Target> (129)
DNA/RNA Synthesis

>  <Form> (129)
free base

>  <CAS> (129)
5536-17-4

>  <URL> (129)
http://selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
Acyclovir.cdx
csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    2.3673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5575    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  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  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (130)
135

>  <Formula> (130)
C8H11N5O3

>  <MolWeight> (130)
225.20464

>  <Cat> (130)
S1807

>  <Name> (130)
Aciclovir (BW 248U)

>  <Synonyms> (130)
Acyclovir, Acycloguanosine, Zovirax, ACV, NSC 645011,BW 248U

>  <Target> (130)
Antiviral,Apoptosis related,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite

>  <Form> (130)
free base

>  <CAS> (130)
59277-89-3

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

$$$$
ADALAT (nifedipine).cdx
csChFnd80/02252511162D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    5.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3884    4.2710    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7629    6.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (131)
136

>  <Formula> (131)
C17H18N2O6

>  <MolWeight> (131)
346.33462

>  <Cat> (131)
S1808

>  <Name> (131)
Nifedipine (BAY-a-1040)

>  <Synonyms> (131)
BAY-a-1040

>  <Target> (131)
Calcium Channel

>  <Form> (131)
free base

>  <CAS> (131)
21829-25-4

>  <URL> (131)
http://selleckchem.com/products/Nifedipine(Adalat).html

$$$$
Amiloride hydrochloride.cdx
csChFnd80/02252511162D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (132)
137

>  <Formula> (132)
C6H9Cl2N7O

>  <MolWeight> (132)
266.08796

>  <Cat> (132)
S1811

>  <Name> (132)
Amiloride (MK-870) HCl

>  <Synonyms> (132)
MK-870 HCl

>  <Target> (132)
Calcium Channel,Serine Protease,Sodium Channel

>  <Form> (132)
Hydrochloride

>  <CAS> (132)
2016-88-8

>  <URL> (132)
http://selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

$$$$
clemastine fumarate.cdx
csChFnd80/02252511162D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0386    2.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    5.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547    6.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    8.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    5.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (133)
139

>  <Formula> (133)
C25H30ClNO5

>  <MolWeight> (133)
459.9624

>  <Cat> (133)
S1847

>  <Name> (133)
Clemastine (HS-592) fumarate

>  <Synonyms> (133)
HS-592 fumarate, Meclastine fumarate

>  <Target> (133)
Autophagy,Histamine Receptor,mTOR

>  <Form> (133)
Fumarate

>  <CAS> (133)
14976-57-9

>  <URL> (133)
http://selleckchem.com/products/Clemastine-Fumarate.html

$$$$
Methylthiouracil.cdx
csChFnd80/02252511162D

  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
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (134)
140

>  <Formula> (134)
C5H6N2OS

>  <MolWeight> (134)
142.17894

>  <Cat> (134)
S3138

>  <Name> (134)
Methylthiouracil

>  <Synonyms> (134)
NSC-193526, NSC-9378,MTU

>  <Target> (134)
ERK,Interleukins,NF-¦ÊB,TNF-alpha

>  <Form> (134)
free base

>  <CAS> (134)
56-04-2

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

$$$$
MENADIONE (menadione).cdx
csChFnd80/02252511162D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (135)
141

>  <Formula> (135)
C11H8O2

>  <MolWeight> (135)
172.18002

>  <Cat> (135)
S1949

>  <Name> (135)
Menadione (NSC 4170)

>  <Synonyms> (135)
Vitamin K3,NSC 4170

>  <Target> (135)
CDK,DNA/RNA Synthesis,phosphatase

>  <Form> (135)
free base

>  <CAS> (135)
58-27-5

>  <URL> (135)
http://selleckchem.com/products/Menadione.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/02252511162D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (136)
142

>  <Formula> (136)
C4H12ClN5

>  <MolWeight> (136)
165.62458

>  <Cat> (136)
S1950

>  <Name> (136)
Metformin HCl

>  <Synonyms> (136)
1,1-Dimethylbiguanide HCl

>  <Target> (136)
Autophagy,Carbohydrate Metabolism,JNK,Mitophagy,p38 MAPK

>  <Form> (136)
Hydrochloride

>  <CAS> (136)
1115-70-4

>  <URL> (136)
http://selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Tanshinone IIA.cdx
csChFnd80/02252511162D

 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> (137)
143

>  <Formula> (137)
C19H18O3

>  <MolWeight> (137)
294.34442

>  <Cat> (137)
S2365

>  <Name> (137)
Tanshinone IIA

>  <Synonyms> (137)
Tanshinone B

>  <Target> (137)
Lipase

>  <Form> (137)
free base

>  <CAS> (137)
568-72-9

>  <URL> (137)
http://selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
Biochanin A.cdx
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    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
    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
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  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
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (138)
144

>  <Formula> (138)
C16H12O5

>  <MolWeight> (138)
284.26348

>  <Cat> (138)
S2377

>  <Name> (138)
Biochanin A

>  <Synonyms> (138)
4-Methylgenistein

>  <Target> (138)
FAAH

>  <Form> (138)
free base

>  <CAS> (138)
491-80-5

>  <URL> (138)
http://selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Diosmetin.cdx
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (139)
145

>  <Formula> (139)
C16H12O6

>  <MolWeight> (139)
300.26288

>  <Cat> (139)
S2380

>  <Name> (139)
Diosmetin

>  <Synonyms> (139)
Luteolin 4-methyl ether

>  <Target> (139)
P450 (e.g. CYP17)

>  <Form> (139)
free base

>  <CAS> (139)
520-34-3

>  <URL> (139)
http://selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Indirubin.cdx
csChFnd80/02252511162D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (140)
146

>  <Formula> (140)
C16H10N2O2

>  <MolWeight> (140)
262.2628

>  <Cat> (140)
S2386

>  <Name> (140)
Indirubin?(NSC 105327)

>  <Synonyms> (140)
NSC 105327

>  <Target> (140)
GSK-3

>  <Form> (140)
free base

>  <CAS> (140)
479-41-4

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

$$$$
AMG 458.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (141)
147

>  <Formula> (141)
C30H29N5O5

>  <MolWeight> (141)
539.58176

>  <Cat> (141)
S2747

>  <Name> (141)
AMG-458

>  <Synonyms> (141)
N/A

>  <Target> (141)
c-Met

>  <Form> (141)
free base

>  <CAS> (141)
913376-83-7

>  <URL> (141)
http://selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (142)
148

>  <Formula> (142)
C29H27N7O4S

>  <MolWeight> (142)
569.63418

>  <Cat> (142)
S2752

>  <Name> (142)
HER2-Inhibitor-1

>  <Synonyms> (142)
N/A

>  <Target> (142)
EGFR,HER2

>  <Form> (142)
free base

>  <CAS> (142)
937265-83-3

>  <URL> (142)
http://selleckchem.com/products/her2-inhibitor-1.html

$$$$
PHA-848125.cdx
csChFnd80/02252511162D

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Autophagy,CDK

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free base

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802539-81-7

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CHIR-98014

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CT98014

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GSK-3

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free base

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252935-94-7

>  <URL> (144)
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N/A

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TGF-beta/Smad

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free base

>  <CAS> (145)
452342-67-5

>  <URL> (145)
http://selleckchem.com/products/gw788388.html

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231277-92-2

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>  <Mol_ID> (147)
154

>  <Formula> (147)
C32H29F3N6O6

>  <MolWeight> (147)
650.6044696

>  <Cat> (147)
S2749

>  <Name> (147)
BGT226 (NVP-BGT226) maleate

>  <Synonyms> (147)
N/A

>  <Target> (147)
mTOR,PI3K

>  <Form> (147)
maleate

>  <CAS> (147)
1245537-68-1

>  <URL> (147)
http://selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (148)
155

>  <Formula> (148)
C25H21N7O3

>  <MolWeight> (148)
467.47934

>  <Cat> (148)
S1219

>  <Name> (148)
YM201636

>  <Synonyms> (148)
N/A

>  <Target> (148)
Autophagy,PI3K,PIKfyve

>  <Form> (148)
free base

>  <CAS> (148)
371942-69-7

>  <URL> (148)
http://selleckchem.com/products/ym201636.html

$$$$
ARQ-197.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (149)
157

>  <Formula> (149)
C23H19N3O2

>  <MolWeight> (149)
369.41586

>  <Cat> (149)
S2753

>  <Name> (149)
Tivantinib (ARQ 197)

>  <Synonyms> (149)
N/A

>  <Target> (149)
Apoptosis related,c-Met

>  <Form> (149)
free base

>  <CAS> (149)
905854-02-6

>  <URL> (149)
http://selleckchem.com/products/arq-197.html

$$$$
BX-795.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (150)
158

>  <Formula> (150)
C23H26IN7O2S

>  <MolWeight> (150)
591.46771

>  <Cat> (150)
S1274

>  <Name> (150)
BX-795

>  <Synonyms> (150)
N/A

>  <Target> (150)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (150)
free base

>  <CAS> (150)
702675-74-9

>  <URL> (150)
http://selleckchem.com/products/bx-795.html

$$$$
BX-912.cdx
csChFnd80/02252511162D

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  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (151)
159

>  <Formula> (151)
C20H23BrN8O

>  <MolWeight> (151)
471.35362

>  <Cat> (151)
S1275

>  <Name> (151)
BX-912

>  <Synonyms> (151)
N/A

>  <Target> (151)
PDK

>  <Form> (151)
free base

>  <CAS> (151)
702674-56-4

>  <URL> (151)
http://selleckchem.com/products/bx-912.html

$$$$
NVP-BVU972.cdx
csChFnd80/02252511162D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.4240    5.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (152)
160

>  <Formula> (152)
C20H16N6

>  <MolWeight> (152)
340.38124

>  <Cat> (152)
S2761

>  <Name> (152)
NVP-BVU972

>  <Synonyms> (152)
N/A

>  <Target> (152)
c-Met

>  <Form> (152)
free base

>  <CAS> (152)
1185763-69-2

>  <URL> (152)
http://selleckchem.com/products/nvp-bvu972.html

$$$$
CUDC-907.cdx
csChFnd80/02252511162D

 36 40  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 35 22  1  0  0  0  0
  8 36  1  0  0  0  0
M  END
>  <Mol_ID> (153)
161

>  <Formula> (153)
C23H24N8O4S

>  <MolWeight> (153)
508.55286

>  <Cat> (153)
S2759

>  <Name> (153)
Fimepinostat (CUDC-907)

>  <Synonyms> (153)
N/A

>  <Target> (153)
Apoptosis related,HDAC,PI3K

>  <Form> (153)
free base

>  <CAS> (153)
1339928-25-4

>  <URL> (153)
http://selleckchem.com/products/pi3k-hdac-inhibitor-i.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (154)
162

>  <Formula> (154)
C27H33FN6O7

>  <MolWeight> (154)
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>  <Cat> (154)
S2769

>  <Name> (154)
Dovitinib (TKI-258) Dilactic Acid

>  <Synonyms> (154)
N/A

>  <Target> (154)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (154)
Dilactic Acid

>  <CAS> (154)
852433-84-2

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

$$$$
AST-1306.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (155)
163

>  <Formula> (155)
C31H26ClFN4O5S

>  <MolWeight> (155)
621.0783432

>  <Cat> (155)
S2185

>  <Name> (155)
Allitinib tosylate

>  <Synonyms> (155)
AST-1306 TsOH, AST-6

>  <Target> (155)
EGFR

>  <Form> (155)
Mesylate

>  <CAS> (155)
1050500-29-2

>  <URL> (155)
https://www.selleckchem.com/products/allitinib-tosylate.html

$$$$
BMS265246.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (156)
164

>  <Formula> (156)
C18H17F2N3O2

>  <MolWeight> (156)
345.3432864

>  <Cat> (156)
S2014

>  <Name> (156)
BMS-265246

>  <Synonyms> (156)
N/A

>  <Target> (156)
CDK

>  <Form> (156)
free base

>  <CAS> (156)
582315-72-8

>  <URL> (156)
http://selleckchem.com/products/bms-265246.html

$$$$
SB505124.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (157)
165

>  <Formula> (157)
C20H21N3O2

>  <MolWeight> (157)
335.39964

>  <Cat> (157)
S2186

>  <Name> (157)
SB505124

>  <Synonyms> (157)
N/A

>  <Target> (157)
TGF-beta/Smad

>  <Form> (157)
free base

>  <CAS> (157)
694433-59-5

>  <URL> (157)
http://selleckchem.com/products/sb-505124.html

$$$$
MK-2461.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (158)
166

>  <Formula> (158)
C24H25N5O5S

>  <MolWeight> (158)
495.5508

>  <Cat> (158)
S2774

>  <Name> (158)
MK-2461

>  <Synonyms> (158)
N/A

>  <Target> (158)
c-Met,FGFR,PDGFR,RON

>  <Form> (158)
free base

>  <CAS> (158)
917879-39-1

>  <URL> (158)
http://selleckchem.com/products/mk-2461.html

$$$$
Nocodazole.cdx
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.5240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (159)
167

>  <Formula> (159)
C14H11N3O3S

>  <MolWeight> (159)
301.32044

>  <Cat> (159)
S2775

>  <Name> (159)
Nocodazole (R17934)

>  <Synonyms> (159)
Oncodazole, NSC238159

>  <Target> (159)
Apoptosis related,Autophagy,Bcr-Abl,CRISPR/Cas9,Microtubule Associated

>  <Form> (159)
free base

>  <CAS> (159)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/02252511162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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   13.3157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 16 11  1  0  0  0  0
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M  END
>  <Mol_ID> (160)
168

>  <Formula> (160)
C25H30N6O3

>  <MolWeight> (160)
462.5441

>  <Cat> (160)
S2783

>  <Name> (160)
Vistusertib (AZD2014)

>  <Synonyms> (160)
N/A

>  <Target> (160)
Apoptosis related,Autophagy,mTOR

>  <Form> (160)
free base

>  <CAS> (160)
1009298-59-2

>  <URL> (160)
http://selleckchem.com/products/azd2014.html

$$$$
TAK-285.cdx
csChFnd80/02252511162D

 38 41  0  0  0  0  0  0  0  0999 V2000
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   10.9093    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (161)
169

>  <Formula> (161)
C26H25ClF3N5O3

>  <MolWeight> (161)
547.9566096

>  <Cat> (161)
S2784

>  <Name> (161)
TAK-285

>  <Synonyms> (161)
N/A

>  <Target> (161)
EGFR,HER2

>  <Form> (161)
free base

>  <CAS> (161)
871026-44-7

>  <URL> (161)
http://selleckchem.com/products/tak-285.html

$$$$
Piceatannol.cdx
csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
172

>  <Formula> (162)
C14H12O4

>  <MolWeight> (162)
244.24268

>  <Cat> (162)
S3026

>  <Name> (162)
Piceatannol

>  <Synonyms> (162)
N/A

>  <Target> (162)
Arginase,Syk

>  <Form> (162)
free base

>  <CAS> (162)
10083-24-6

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

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/02252511162D

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193275-84-2

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http://selleckchem.com/products/lonafarnib-sch66336.html

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Akt

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free base

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1001264-89-6

>  <URL> (166)
http://selleckchem.com/products/gdc-0068.html

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GSK2118436A

>  <Target> (167)
Raf

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free base

>  <CAS> (167)
1195765-45-7

>  <URL> (167)
http://selleckchem.com/products/dabrafenib-gsk2118436.html

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Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

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free base

>  <CAS> (168)
1223001-51-1

>  <URL> (168)
http://selleckchem.com/products/torin-2.html

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PI3K

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free base

>  <CAS> (169)
1217486-61-7

>  <URL> (169)
http://selleckchem.com/products/byl719.html

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M  END
>  <Mol_ID> (170)
181

>  <Formula> (170)
C24H26N6O2S

>  <MolWeight> (170)
462.56724

>  <Cat> (170)
S2806

>  <Name> (170)
CEP-33779

>  <Synonyms> (170)
N/A

>  <Target> (170)
JAK

>  <Form> (170)
free base

>  <CAS> (170)
1257704-57-6

>  <URL> (170)
http://selleckchem.com/products/cep33779.html

$$$$
NVP-TAE226.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (171)
182

>  <Formula> (171)
C23H25ClN6O3

>  <MolWeight> (171)
468.936

>  <Cat> (171)
S2820

>  <Name> (171)
TAE226 (NVP-TAE226)

>  <Synonyms> (171)
N/A

>  <Target> (171)
Apoptosis related,FAK,Pyk2

>  <Form> (171)
free base

>  <CAS> (171)
761437-28-9

>  <URL> (171)
http://selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
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M  END
>  <Mol_ID> (172)
183

>  <Formula> (172)
C15H10O7

>  <MolWeight> (172)
302.2357

>  <Cat> (172)
S2391

>  <Name> (172)
Quercetin (NSC 9221)

>  <Synonyms> (172)
Sophoretin, C.I. 75720

>  <Target> (172)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (172)
Free Base

>  <CAS> (172)
117-39-5

>  <URL> (172)
http://selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Salidroside.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (173)
184

>  <Formula> (173)
C14H20O7

>  <MolWeight> (173)
300.3044

>  <Cat> (173)
S2396

>  <Name> (173)
Salidroside

>  <Synonyms> (173)
Rhodioloside

>  <Target> (173)
Mitophagy,mTOR,PREP

>  <Form> (173)
free base

>  <CAS> (173)
10338-51-9

>  <URL> (173)
http://selleckchem.com/products/Salidroside-Rhodioloside.html

$$$$
E7080.cdx
csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (174)
185

>  <Formula> (174)
C21H19ClN4O4

>  <MolWeight> (174)
426.85296

>  <Cat> (174)
S1164

>  <Name> (174)
Lenvatinib (E7080)

>  <Synonyms> (174)
N/A

>  <Target> (174)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (174)
free base

>  <CAS> (174)
417716-92-8

>  <URL> (174)
http://selleckchem.com/products/E7080.html

$$$$
AZD8330.cdx
csChFnd80/02252511162D

 25 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (175)
186

>  <Formula> (175)
C16H17FIN3O4

>  <MolWeight> (175)
461.2267532

>  <Cat> (175)
S2134

>  <Name> (175)
AZD8330

>  <Synonyms> (175)
ARRY704

>  <Target> (175)
MEK

>  <Form> (175)
free base

>  <CAS> (175)
869357-68-6

>  <URL> (175)
http://selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
KW2449.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (176)
187

>  <Formula> (176)
C20H20N4O

>  <MolWeight> (176)
332.399

>  <Cat> (176)
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>  <Name> (176)
KW-2449

>  <Synonyms> (176)
N/A

>  <Target> (176)
Aurora Kinase,Bcr-Abl,FLT3

>  <Form> (176)
free base

>  <CAS> (176)
1000669-72-6

>  <URL> (176)
http://selleckchem.com/products/KW-2449.html

$$$$
raf265.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (177)
188

>  <Formula> (177)
C24H16F6N6O

>  <MolWeight> (177)
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>  <Cat> (177)
S2161

>  <Name> (177)
RAF265 (CHIR-265)

>  <Synonyms> (177)
N/A

>  <Target> (177)
Apoptosis related,Raf,VEGFR

>  <Form> (177)
free base

>  <CAS> (177)
927880-90-8

>  <URL> (177)
http://selleckchem.com/products/RAF265(CHIR-265).html

$$$$
Daphnetin.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (178)
189

>  <Formula> (178)
C9H6O4

>  <MolWeight> (178)
178.14154

>  <Cat> (178)
S2554

>  <Name> (178)
Daphnetin

>  <Synonyms> (178)
N/A

>  <Target> (178)
EGFR,PKA,PKC

>  <Form> (178)
free base

>  <CAS> (178)
486-35-1

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

$$$$
LY2784544.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (179)
190

>  <Formula> (179)
C23H25ClFN7O

>  <MolWeight> (179)
469.9423032

>  <Cat> (179)
S2179

>  <Name> (179)
Gandotinib (LY2784544)

>  <Synonyms> (179)
N/A

>  <Target> (179)
JAK

>  <Form> (179)
free base

>  <CAS> (179)
1229236-86-5

>  <URL> (179)
http://selleckchem.com/products/LY2784544.html

$$$$
AZD8931.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (180)
191

>  <Formula> (180)
C23H25ClFN5O3

>  <MolWeight> (180)
473.9277032

>  <Cat> (180)
S2192

>  <Name> (180)
Sapitinib (AZD8931)

>  <Synonyms> (180)
N/A

>  <Target> (180)
EGFR,HER2

>  <Form> (180)
free base

>  <CAS> (180)
848942-61-0

>  <URL> (180)
http://selleckchem.com/products/AZD8931.html

$$$$
GSK 461364.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (181)
192

>  <Formula> (181)
C27H28F3N5O2S

>  <MolWeight> (181)
543.6037296

>  <Cat> (181)
S2193

>  <Name> (181)
GSK461364

>  <Synonyms> (181)
GSK461364A

>  <Target> (181)
PLK

>  <Form> (181)
free base

>  <CAS> (181)
929095-18-1

>  <URL> (181)
http://selleckchem.com/products/GSK461364.html

$$$$
R406.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (182)
193

>  <Formula> (182)
C28H29FN6O8S

>  <MolWeight> (182)
628.6286632

>  <Cat> (182)
S2194

>  <Name> (182)
R406

>  <Synonyms> (182)
N/A

>  <Target> (182)
Apoptosis related,FLT3,Syk

>  <Form> (182)
Besylate

>  <CAS> (182)
841290-81-1

>  <URL> (182)
http://selleckchem.com/products/R406.html

$$$$
SGI 1776 free base.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (183)
194

>  <Formula> (183)
C20H22F3N5O

>  <MolWeight> (183)
405.4167896

>  <Cat> (183)
S2198

>  <Name> (183)
SGI-1776 free base

>  <Synonyms> (183)
N/A

>  <Target> (183)
Apoptosis related,Autophagy,FLT3,Haspin Kinase,Pim

>  <Form> (183)
free base

>  <CAS> (183)
1025065-69-3

>  <URL> (183)
http://selleckchem.com/products/SGI-1776.html

$$$$
BMS817378.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (184)
195

>  <Formula> (184)
C23H15ClF2N4O3

>  <MolWeight> (184)
468.8400064

>  <Cat> (184)
S2201

>  <Name> (184)
BMS-794833

>  <Synonyms> (184)
N/A

>  <Target> (184)
c-Met,RON,VEGFR

>  <Form> (184)
free base

>  <CAS> (184)
1174046-72-0

>  <URL> (184)
http://selleckchem.com/products/BMS-794833.html

$$$$
NVP-BHG712.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (185)
196

>  <Formula> (185)
C26H20F3N7O

>  <MolWeight> (185)
503.4785096

>  <Cat> (185)
S2202

>  <Name> (185)
NVP-BHG712

>  <Synonyms> (185)
N/A

>  <Target> (185)
Bcr-Abl,Ephrin receptor,Raf,Src

>  <Form> (185)
free base

>  <CAS> (185)
940310-85-0

>  <URL> (185)
http://selleckchem.com/products/NVP-BHG712.html

$$$$
OSI 420.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (186)
197

>  <Formula> (186)
C21H22ClN3O4

>  <MolWeight> (186)
415.87008

>  <Cat> (186)
S2205

>  <Name> (186)
OSI-420

>  <Synonyms> (186)
DesMethyl Erlotinib (CP-473420) HCl

>  <Target> (186)
EGFR

>  <Form> (186)
Hydrochloride

>  <CAS> (186)
183320-51-6

>  <URL> (186)
http://selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
PIK 293.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (187)
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PIK-293

>  <Synonyms> (187)
N/A

>  <Target> (187)
PI3K

>  <Form> (187)
free base

>  <CAS> (187)
900185-01-5

>  <URL> (187)
http://selleckchem.com/products/PIK-293.html

$$$$
Mubritinib.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (188)
200

>  <Formula> (188)
C25H23F3N4O2

>  <MolWeight> (188)
468.4709296

>  <Cat> (188)
S2216

>  <Name> (188)
Mubritinib (TAK 165)

>  <Synonyms> (188)
N/A

>  <Target> (188)
HER2

>  <Form> (188)
free base

>  <CAS> (188)
366017-09-6

>  <URL> (188)
http://selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
PP442.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (189)
201

>  <Formula> (189)
C16H16N6O

>  <MolWeight> (189)
308.33784

>  <Cat> (189)
S2218

>  <Name> (189)
Torkinib (PP242)

>  <Synonyms> (189)
N/A

>  <Target> (189)
Apoptosis related,Autophagy,Mitophagy,mTOR

>  <Form> (189)
free base

>  <CAS> (189)
1092351-67-1

>  <URL> (189)
http://selleckchem.com/products/PP242.html

$$$$
SB 590885.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (190)
203

>  <Formula> (190)
C27H27N5O2

>  <MolWeight> (190)
453.53558

>  <Cat> (190)
S2220

>  <Name> (190)
SB590885

>  <Synonyms> (190)
N/A

>  <Target> (190)
Raf

>  <Form> (190)
free base

>  <CAS> (190)
405554-55-4

>  <URL> (190)
http://selleckchem.com/products/SB590885.html

$$$$
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    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (191)
204

>  <Formula> (191)
C22H18O11

>  <MolWeight> (191)
458.37172

>  <Cat> (191)
S2250

>  <Name> (191)
(-)-Epigallocatechin Gallate

>  <Synonyms> (191)
EGCG

>  <Target> (191)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (191)
free base

>  <CAS> (191)
989-51-5

>  <URL> (191)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
(+)-Usniacin.cdx
csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.9569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    3.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3880    2.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9575    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346    4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422    4.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    5.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7020    6.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3450    3.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2081    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5956    1.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9872    4.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  2  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
>  <Mol_ID> (192)
205

>  <Formula> (192)
C18H16O7

>  <MolWeight> (192)
344.31544

>  <Cat> (192)
S2252

>  <Name> (192)
(+)-Usniacin

>  <Synonyms> (192)
D-Usnic Acid

>  <Target> (192)
Others

>  <Form> (192)
free base

>  <CAS> (192)
7562-61-0

>  <URL> (192)
http://selleckchem.com/products/Usniacin-D-Usnic-acid.html

$$$$
AESCULIN.cdx
csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6289    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  2 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  1  0  0  0
 18 21  1  1  0  0  0
 20 22  1  0  0  0  0
 17 23  1  6  0  0  0
 19 24  1  6  0  0  0
M  END
>  <Mol_ID> (193)
206

>  <Formula> (193)
C15H16O9

>  <MolWeight> (193)
340.28214

>  <Cat> (193)
S2258

>  <Name> (193)
Esculin

>  <Synonyms> (193)
Aesculin

>  <Target> (193)
Others

>  <Form> (193)
free base

>  <CAS> (193)
531-75-9

>  <URL> (193)
http://selleckchem.com/products/Aesculin(Esculin).html

$$$$
Apigenin.cdx
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (194)
207

>  <Formula> (194)
C15H10O5

>  <MolWeight> (194)
270.2369

>  <Cat> (194)
S2262

>  <Name> (194)
Apigenin (LY 080400)

>  <Synonyms> (194)
NSC 83244

>  <Target> (194)
P450 (e.g. CYP17)

>  <Form> (194)
free base

>  <CAS> (194)
520-36-5

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

$$$$
Asiatic acid.cdx
csChFnd80/02252511162D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    5.2249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    5.2249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    8.7249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    1.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953   10.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (195)
208

>  <Formula> (195)
C30H48O5

>  <MolWeight> (195)
488.69912

>  <Cat> (195)
S2266

>  <Name> (195)
Asiatic Acid

>  <Synonyms> (195)
Dammarolic acid, Asiantic acid

>  <Target> (195)
p38 MAPK

>  <Form> (195)
free base

>  <CAS> (195)
464-92-6

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

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (196)
209

>  <Formula> (196)
C20H18ClNO4

>  <MolWeight> (196)
371.81422

>  <Cat> (196)
S2271

>  <Name> (196)
Berberine chloride (NSC 646666)

>  <Synonyms> (196)
Natural Yellow 18 chloride

>  <Target> (196)
Anti-infection,Apoptosis related,Autophagy,Bcl-2,Caspase,IAP,JNK,p38 MAPK,P450 (e.g. CYP17),PARP,ROS,Topoisomerase

>  <Form> (196)
chloride

>  <CAS> (196)
633-65-8

>  <URL> (196)
http://selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Cryptotanshinone.cdx
csChFnd80/02252511162D

 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  2  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (197)
210

>  <Formula> (197)
C19H20O3

>  <MolWeight> (197)
296.3603

>  <Cat> (197)
S2285

>  <Name> (197)
Cryptotanshinone

>  <Synonyms> (197)
Tanshinone C

>  <Target> (197)
Apoptosis related,Autophagy,STAT

>  <Form> (197)
free base

>  <CAS> (197)
35825-57-1

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

$$$$
Emodin.cdx
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (198)
211

>  <Formula> (198)
C15H10O5

>  <MolWeight> (198)
270.2369

>  <Cat> (198)
S2295

>  <Name> (198)
Emodin

>  <Synonyms> (198)
N/A

>  <Target> (198)
Dehydrogenase

>  <Form> (198)
free base

>  <CAS> (198)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (199)
212

>  <Formula> (199)
C16H12O4

>  <MolWeight> (199)
268.26408

>  <Cat> (199)
S2299

>  <Name> (199)
Formononetin

>  <Synonyms> (199)
Formononetol, Biochanin B

>  <Target> (199)
Others

>  <Form> (199)
free base

>  <CAS> (199)
485-72-3

>  <URL> (199)
http://selleckchem.com/products/Formononetin(Formononetol).html

$$$$
Fumalic acid.cdx
csChFnd80/02252511162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (200)
213

>  <Formula> (200)
C10H10O4

>  <MolWeight> (200)
194.184

>  <Cat> (200)
S2300

>  <Name> (200)
Ferulic Acid

>  <Synonyms> (200)
Fumalic Acid

>  <Target> (200)
FGFR

>  <Form> (200)
free base

>  <CAS> (200)
1135-24-6

>  <URL> (200)
http://selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Hesperetin.cdx
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (201)
214

>  <Formula> (201)
C16H14O6

>  <MolWeight> (201)
302.27876

>  <Cat> (201)
S2308

>  <Name> (201)
Hesperetin

>  <Synonyms> (201)
N/A

>  <Target> (201)
Histamine Receptor,TGF-beta/Smad

>  <Form> (201)
free base

>  <CAS> (201)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/02252511162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (202)
215

>  <Formula> (202)
C18H18O2

>  <MolWeight> (202)
266.33432

>  <Cat> (202)
S2310

>  <Name> (202)
Honokiol (NSC 293100)

>  <Synonyms> (202)
N/A

>  <Target> (202)
Akt,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,HCV,MEK

>  <Form> (202)
free base

>  <CAS> (202)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (203)
216

>  <Formula> (203)
C15H10O8

>  <MolWeight> (203)
318.2351

>  <Cat> (203)
S2326

>  <Name> (203)
Myricetin

>  <Synonyms> (203)
Cannabiscetin

>  <Target> (203)
MEK

>  <Form> (203)
free base

>  <CAS> (203)
529-44-2

>  <URL> (203)
http://selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (204)
217

>  <Formula> (204)
C21H20O12

>  <MolWeight> (204)
464.3763

>  <Cat> (204)
S2327

>  <Name> (204)
Myricitrin

>  <Synonyms> (204)
Myricitrine

>  <Target> (204)
PKC

>  <Form> (204)
free base

>  <CAS> (204)
17912-87-7

>  <URL> (204)
http://selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Oridonin.cdx
csChFnd80/02252511162D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (205)
218

>  <Formula> (205)
C20H28O6

>  <MolWeight> (205)
364.43272

>  <Cat> (205)
S2335

>  <Name> (205)
Oridonin (NSC-250682)

>  <Synonyms> (205)
Isodonol, Rubescenin

>  <Target> (205)
Akt,Bacterial

>  <Form> (205)
free base

>  <CAS> (205)
28957-04-2

>  <URL> (205)
http://selleckchem.com/products/Oridonin(Isodonol).html

$$$$
Quercetin dihydrate.cdx
csChFnd80/02252511162D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (206)
219

>  <Formula> (206)
C15H14O9

>  <MolWeight> (206)
338.26626

>  <Cat> (206)
S2347

>  <Name> (206)
Quercetin Dihydrate

>  <Synonyms> (206)
Sophoretin

>  <Target> (206)
PI3K,Sirtuin

>  <Form> (206)
Dihydrate

>  <CAS> (206)
6151-25-3

>  <URL> (206)
http://selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (207)
220

>  <Formula> (207)
C15H12O8

>  <MolWeight> (207)
320.25098

>  <Cat> (207)
S2399

>  <Name> (207)
Dihydromyricetin

>  <Synonyms> (207)
Ampeloptin

>  <Target> (207)
GABA Receptor,ROS

>  <Form> (207)
free base

>  <CAS> (207)
27200-12-0

>  <URL> (207)
http://selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/02252511162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (208)
221

>  <Formula> (208)
C15H22N2O

>  <MolWeight> (208)
246.34798

>  <Cat> (208)
S2405

>  <Name> (208)
Sophocarpine

>  <Synonyms> (208)
N/A

>  <Target> (208)
Potassium Channel

>  <Form> (208)
free base

>  <CAS> (208)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (209)
222

>  <Formula> (209)
C15H10O4

>  <MolWeight> (209)
254.2375

>  <Cat> (209)
S2406

>  <Name> (209)
Chrysophanic Acid

>  <Synonyms> (209)
Chrysophanol

>  <Target> (209)
EGFR,mTOR

>  <Form> (209)
free base

>  <CAS> (209)
481-74-3

>  <URL> (209)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (210)
223

>  <Formula> (210)
C15H24O2

>  <MolWeight> (210)
236.34986

>  <Cat> (210)
S2407

>  <Name> (210)
Curcumol

>  <Synonyms> (210)
N/A

>  <Target> (210)
JAK

>  <Form> (210)
free base

>  <CAS> (210)
4871-97-0

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

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/02252511162D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (211)
224

>  <Formula> (211)
C18H29ClN2O

>  <MolWeight> (211)
324.88866

>  <Cat> (211)
S2454

>  <Name> (211)
Bupivacaine HCl

>  <Synonyms> (211)
N/A

>  <Target> (211)
Sodium Channel

>  <Form> (211)
Hydrochloride

>  <CAS> (211)
18010-40-7

>  <URL> (211)
http://selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
Imatinib.cdx
csChFnd80/02252511162D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (212)
225

>  <Formula> (212)
C29H31N7O

>  <MolWeight> (212)
493.60274

>  <Cat> (212)
S2475

>  <Name> (212)
Imatinib (STI571)

>  <Synonyms> (212)
STI571,Gleevec, Glivec, CGP057148B

>  <Target> (212)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (212)
free base

>  <CAS> (212)
152459-95-5

>  <URL> (212)
http://selleckchem.com/products/Imatinib(STI571).html

$$$$
PCI-32765.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (213)
226

>  <Formula> (213)
C25H24N6O2

>  <MolWeight> (213)
440.49706

>  <Cat> (213)
S2680

>  <Name> (213)
Ibrutinib (PCI-32765)

>  <Synonyms> (213)
PCI-32765,Imbruvica

>  <Target> (213)
BTK,Target Protein Ligand

>  <Form> (213)
free base

>  <CAS> (213)
936563-96-1

>  <URL> (213)
http://selleckchem.com/products/pci-32765.html

$$$$
TAK-901.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (214)
227

>  <Formula> (214)
C28H32N4O3S

>  <MolWeight> (214)
504.64368

>  <Cat> (214)
S2718

>  <Name> (214)
TAK-901

>  <Synonyms> (214)
N/A

>  <Target> (214)
Aurora Kinase

>  <Form> (214)
free base

>  <CAS> (214)
934541-31-8

>  <URL> (214)
http://selleckchem.com/products/tak-901.html

$$$$
TG1012009.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (215)
228

>  <Formula> (215)
C26H35N7O2S

>  <MolWeight> (215)
509.6668

>  <Cat> (215)
S2692

>  <Name> (215)
TG101209

>  <Synonyms> (215)
N/A

>  <Target> (215)
c-RET,FLT3,JAK

>  <Form> (215)
free base

>  <CAS> (215)
936091-14-4

>  <URL> (215)
http://selleckchem.com/products/tg101209.html

$$$$
AMG900.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (216)
229

>  <Formula> (216)
C28H21N7OS

>  <MolWeight> (216)
503.57764

>  <Cat> (216)
S2719

>  <Name> (216)
AMG-900

>  <Synonyms> (216)
N/A

>  <Target> (216)
Aurora Kinase

>  <Form> (216)
free base

>  <CAS> (216)
945595-80-2

>  <URL> (216)
http://selleckchem.com/products/amg-900.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (217)
230

>  <Formula> (217)
C22H30Cl2N4O6

>  <MolWeight> (217)
517.4028

>  <Cat> (217)
S2485

>  <Name> (217)
Mitoxantrone (NSC-301739)?2HCl

>  <Synonyms> (217)
NSC-301739 2HCl

>  <Target> (217)
Apoptosis related,COVID-19,PKC,Topoisomerase

>  <Form> (217)
Dihydrochloride

>  <CAS> (217)
70476-82-3

>  <URL> (217)
http://selleckchem.com/products/Mitoxantrone-Hydrochloride.html

$$$$
GSK2126458.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (218)
231

>  <Formula> (218)
C25H17F2N5O3S

>  <MolWeight> (218)
505.4959864

>  <Cat> (218)
S2658

>  <Name> (218)
Omipalisib (GSK2126458)

>  <Synonyms> (218)
GSK458

>  <Target> (218)
Autophagy,mTOR,PI3K

>  <Form> (218)
free base

>  <CAS> (218)
1086062-66-9

>  <URL> (218)
http://selleckchem.com/products/gsk2126458.html

$$$$
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csChFnd80/02252511162D

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   18.1950    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (219)
232

>  <Formula> (219)
C19H34ClNO2

>  <MolWeight> (219)
343.93176

>  <Cat> (219)
S5002

>  <Name> (219)
Fingolimod (FTY720) HCl

>  <Synonyms> (219)
Fingolimod Hydrochloride,FTY720

>  <Target> (219)
S1P Receptor

>  <Form> (219)
Hydrochloride

>  <CAS> (219)
162359-56-0

>  <URL> (219)
http://selleckchem.com/products/FTY720.html

$$$$
CAL-1011.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (220)
234

>  <Formula> (220)
C22H18FN7O

>  <MolWeight> (220)
415.4230232

>  <Cat> (220)
S2226

>  <Name> (220)
Idelalisib

>  <Synonyms> (220)
CAL-101, GS-1101

>  <Target> (220)
Autophagy,PI3K

>  <Form> (220)
free base

>  <CAS> (220)
870281-82-6

>  <URL> (220)
http://selleckchem.com/products/CAL-101.html

$$$$
BI 6727.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (221)
235

>  <Formula> (221)
C34H50N8O3

>  <MolWeight> (221)
618.8126

>  <Cat> (221)
S2235

>  <Name> (221)
Volasertib (BI 6727)

>  <Synonyms> (221)
N/A

>  <Target> (221)
Apoptosis related,PLK

>  <Form> (221)
free base

>  <CAS> (221)
755038-65-4

>  <URL> (221)
http://selleckchem.com/products/BI6727-Volasertib.html

$$$$
PIK-294.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (222)
236

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C28H23N7O2

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S2227

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PIK-294

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N/A

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PI3K

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free base

>  <CAS> (222)
900185-02-6

>  <URL> (222)
http://selleckchem.com/products/PIK-294.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (223)
237

>  <Formula> (223)
C20H16ClN5O3

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409.82574

>  <Cat> (223)
S2231

>  <Name> (223)
Telatinib

>  <Synonyms> (223)
BAY 57-9352

>  <Target> (223)
c-Kit,PDGFR,VEGFR

>  <Form> (223)
free base

>  <CAS> (223)
332012-40-5

>  <URL> (223)
http://selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (224)
238

>  <Formula> (224)
C10H16ClN5

>  <MolWeight> (224)
241.72054

>  <Cat> (224)
S2542

>  <Name> (224)
Phenformin (NSC-756501) HCl

>  <Synonyms> (224)
Phenethylbiguanide HCl

>  <Target> (224)
AMPK

>  <Form> (224)
Hydrochloride

>  <CAS> (224)
834-28-6

>  <URL> (224)
http://selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
AZD5438.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (225)
239

>  <Formula> (225)
C18H21N5O2S

>  <MolWeight> (225)
371.45664

>  <Cat> (225)
S2621

>  <Name> (225)
AZD5438

>  <Synonyms> (225)
N/A

>  <Target> (225)
CDK

>  <Form> (225)
free base

>  <CAS> (225)
602306-29-6

>  <URL> (225)
http://selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (226)
240

>  <Formula> (226)
C21H22N6O3

>  <MolWeight> (226)
406.43778

>  <Cat> (226)
S2624

>  <Name> (226)
OSI-027

>  <Synonyms> (226)
ASP4786, CERC 006, AEVI-006

>  <Target> (226)
Autophagy,mTOR

>  <Form> (226)
free base

>  <CAS> (226)
936890-98-1

>  <URL> (226)
http://selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (227)
241

>  <Formula> (227)
C17H17N7

>  <MolWeight> (227)
319.36378

>  <Cat> (227)
S2622

>  <Name> (227)
PP121

>  <Synonyms> (227)
N/A

>  <Target> (227)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (227)
free base

>  <CAS> (227)
1092788-83-4

>  <URL> (227)
http://selleckchem.com/products/PP121.html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/02252511162D

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    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4472    1.4972    0.0000 Cl  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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (228)
243

>  <Formula> (228)
C11H18ClNO3

>  <MolWeight> (228)
247.71852

>  <Cat> (228)
S2566

>  <Name> (228)
Isoprenaline (NCI-C55630) HCl

>  <Synonyms> (228)
NCI-c55630,Isoproterenol hydrochloride

>  <Target> (228)
Adrenergic Receptor

>  <Form> (228)
Hydrochloride

>  <CAS> (228)
51-30-9

>  <URL> (228)
http://selleckchem.com/products/Isoprenaline-hydrochloride.html

$$$$
BKM-120.cdx
csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  9  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17  8  1  0  0  0  0
 14 18  1  0  0  0  0
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 18 25  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 18  1  0  0  0  0
M  END
>  <Mol_ID> (229)
244

>  <Formula> (229)
C18H21F3N6O2

>  <MolWeight> (229)
410.3935496

>  <Cat> (229)
S2247

>  <Name> (229)
Buparlisib (BKM120)

>  <Synonyms> (229)
NVP-BKM120

>  <Target> (229)
Apoptosis related,PI3K

>  <Form> (229)
free base

>  <CAS> (229)
944396-07-0

>  <URL> (229)
http://selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (230)
245

>  <Formula> (230)
C19H12ClN3O2

>  <MolWeight> (230)
349.77048

>  <Cat> (230)
S2248

>  <Name> (230)
Silmitasertib (CX-4945)

>  <Synonyms> (230)
N/A

>  <Target> (230)
Apoptosis related,Autophagy,Casein Kinase

>  <Form> (230)
free base

>  <CAS> (230)
1009820-21-6

>  <URL> (230)
http://selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
LY2157299.cdx
csChFnd80/02252511162D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (231)
246

>  <Formula> (231)
C22H19N5O

>  <MolWeight> (231)
369.41916

>  <Cat> (231)
S2230

>  <Name> (231)
Galunisertib (LY2157299)

>  <Synonyms> (231)
N/A

>  <Target> (231)
TGF-beta/Smad

>  <Form> (231)
free base

>  <CAS> (231)
700874-72-2

>  <URL> (231)
http://selleckchem.com/products/ly2157299.html

$$$$
TAK733.cdx
csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
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Syk

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free base

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901119-35-5

>  <URL> (234)
http://selleckchem.com/products/R7935788-Fostamatinib.html

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1166227-08-2

>  <URL> (235)
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N/A

>  <Target> (241)
Carbohydrate Metabolism

>  <Form> (241)
free base

>  <CAS> (241)
1234703-40-2

>  <URL> (241)
http://selleckchem.com/products/ly2608204.html

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>  <Synonyms> (242)
PF-562271 Besylate

>  <Target> (242)
CDK,FAK,Pyk2

>  <Form> (242)
Benzenesulfonic

>  <CAS> (242)
939791-38-5

>  <URL> (242)
http://selleckchem.com/products/pf-00562271.html

$$$$
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csChFnd80/02252511162D

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R547

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>  <Target> (243)
CDK

>  <Form> (243)
free base

>  <CAS> (243)
741713-40-6

>  <URL> (243)
http://selleckchem.com/products/r547.html

$$$$
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mTOR

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free base

>  <CAS> (244)
1062159-35-6

>  <URL> (244)
http://selleckchem.com/products/way-600.html

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N/A

>  <Target> (245)
mTOR

>  <Form> (245)
free base

>  <CAS> (245)
1144068-46-1

>  <URL> (245)
http://selleckchem.com/products/wye-125132.html

$$$$
BMS-754807.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (246)
261

>  <Formula> (246)
C23H24FN9O

>  <MolWeight> (246)
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>  <Cat> (246)
S1124

>  <Name> (246)
BMS-754807

>  <Synonyms> (246)
N/A

>  <Target> (246)
c-Met,IGF-1R,RON,Trk receptor

>  <Form> (246)
free base

>  <CAS> (246)
1001350-96-4

>  <URL> (246)
http://selleckchem.com/products/BMS-754807.html

$$$$
TWS119.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (247)
262

>  <Formula> (247)
C18H14N4O2

>  <MolWeight> (247)
318.32936

>  <Cat> (247)
S1590

>  <Name> (247)
TWS119

>  <Synonyms> (247)
N/A

>  <Target> (247)
Autophagy,GSK-3

>  <Form> (247)
free base

>  <CAS> (247)
601514-19-6

>  <URL> (247)
http://selleckchem.com/products/TWS119.html

$$$$
untitled.cdx
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>  <Mol_ID> (248)
263

>  <Formula> (248)
C25H26ClN5O3

>  <MolWeight> (248)
479.95864

>  <Cat> (248)
S1012

>  <Name> (248)
BMS-536924

>  <Synonyms> (248)
CS-0117

>  <Target> (248)
IGF-1R

>  <Form> (248)
free base

>  <CAS> (248)
468740-43-4

>  <URL> (248)
http://selleckchem.com/products/BMS-536924.html

$$$$
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GSK690693

>  <Synonyms> (249)
N/A

>  <Target> (249)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (249)
free base

>  <CAS> (249)
937174-76-0

>  <URL> (249)
http://selleckchem.com/products/GSK690693.html

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LY2603618.cdx
csChFnd80/02252511162D

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265

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>  <Cat> (250)
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>  <Name> (250)
Rabusertib (LY2603618)

>  <Synonyms> (250)
IC-83

>  <Target> (250)
Apoptosis related,Autophagy,Chk

>  <Form> (250)
free base

>  <CAS> (250)
911222-45-2

>  <URL> (250)
http://selleckchem.com/products/LY2603618-IC-83.html

$$$$
PHA-665752.cdx
csChFnd80/02252511162D

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PHA-665752

>  <Synonyms> (251)
N/A

>  <Target> (251)
c-Met

>  <Form> (251)
free base

>  <CAS> (251)
477575-56-7

>  <URL> (251)
http://selleckchem.com/products/PHA-665752.html

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Geldanamycin.cdx
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C29H40N2O9

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S2713

>  <Name> (252)
Geldanamycin (NSC 122750)

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NSC 122750

>  <Target> (252)
Antineoplastic and Immunosuppressive Antibiotics,Antiviral,Autophagy,HSP (HSP90)

>  <Form> (252)
free base

>  <CAS> (252)
30562-34-6

>  <URL> (252)
http://selleckchem.com/products/geldanamycin.html

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>  <Mol_ID> (253)
270

>  <Formula> (253)
C26H29N3O3

>  <MolWeight> (253)
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>  <Cat> (253)
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>  <Name> (253)
Tirbanibulin

>  <Synonyms> (253)
KX2-391,KX 01

>  <Target> (253)
Src

>  <Form> (253)
free base

>  <CAS> (253)
897016-82-9

>  <URL> (253)
http://selleckchem.com/products/kx2-391.html

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>  <Formula> (254)
C27H29FN8O3

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GSK1838705A

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>  <Target> (254)
ALK,IGF-1R

>  <Form> (254)
free base

>  <CAS> (254)
1116235-97-2

>  <URL> (254)
http://selleckchem.com/products/gsk1838705a.html

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>  <MolWeight> (255)
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ZM 336372

>  <Synonyms> (255)
Zinc00581684

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Raf

>  <Form> (255)
free base

>  <CAS> (255)
208260-29-1

>  <URL> (255)
http://selleckchem.com/products/zm-336372.html

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csChFnd80/02252511162D

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936091-26-8

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>  <Mol_ID> (260)
277

>  <Formula> (260)
C23H30N8O3S

>  <MolWeight> (260)
498.6011

>  <Cat> (260)
S2696

>  <Name> (260)
Apitolisib (GDC-0980)

>  <Synonyms> (260)
RG7422, GNE 390

>  <Target> (260)
Apoptosis related,Autophagy,mTOR,PI3K

>  <Form> (260)
free base

>  <CAS> (260)
1032754-93-0

>  <URL> (260)
http://selleckchem.com/products/GDC-0980-RG7422.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (261)
278

>  <Formula> (261)
C21H21Cl2NO5

>  <MolWeight> (261)
438.30114

>  <Cat> (261)
S2679

>  <Name> (261)
Flavopiridol (L86-8275) HCl

>  <Synonyms> (261)
NSC 649890, Alvocidib, HMR-1275, DSP-2033

>  <Target> (261)
Autophagy,CDK,HIV

>  <Form> (261)
Hydrochloride

>  <CAS> (261)
131740-09-5

>  <URL> (261)
http://selleckchem.com/products/flavopiridol-hydrochloride.html

$$$$
PH797804.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (262)
279

>  <Formula> (262)
C22H19BrF2N2O3

>  <MolWeight> (262)
477.2986664

>  <Cat> (262)
S2726

>  <Name> (262)
PH-797804

>  <Synonyms> (262)
N/A

>  <Target> (262)
p38 MAPK

>  <Form> (262)
free base

>  <CAS> (262)
586379-66-0

>  <URL> (262)
http://selleckchem.com/products/ph-797804.html

$$$$
PF299804.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (263)
280

>  <Formula> (263)
C24H25ClFN5O2

>  <MolWeight> (263)
469.9390032

>  <Cat> (263)
S2727

>  <Name> (263)
Dacomitinib (PF-00299804)

>  <Synonyms> (263)
PF299804,PF299

>  <Target> (263)
Apoptosis related,EGFR,HER2

>  <Form> (263)
free base

>  <CAS> (263)
1110813-31-4

>  <URL> (263)
http://selleckchem.com/products/pf299804.html

$$$$
SB415286.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (264)
281

>  <Formula> (264)
C16H10ClN3O5

>  <MolWeight> (264)
359.7207

>  <Cat> (264)
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>  <Name> (264)
SB415286

>  <Synonyms> (264)
N/A

>  <Target> (264)
Apoptosis related,GSK-3

>  <Form> (264)
free base

>  <CAS> (264)
264218-23-7

>  <URL> (264)
http://selleckchem.com/products/sb-415286.html

$$$$
INK 128.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (265)
282

>  <Formula> (265)
C15H15N7O

>  <MolWeight> (265)
309.3259

>  <Cat> (265)
S2811

>  <Name> (265)
Sapanisertib (MLN0128)

>  <Synonyms> (265)
INK 128,TAK-228

>  <Target> (265)
mTOR

>  <Form> (265)
free base

>  <CAS> (265)
1224844-38-5

>  <URL> (265)
http://selleckchem.com/products/ink128.html

$$$$
SCH727965.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (266)
283

>  <Formula> (266)
C21H28N6O2

>  <MolWeight> (266)
396.48602

>  <Cat> (266)
S2768

>  <Name> (266)
Dinaciclib (SCH727965)

>  <Synonyms> (266)
PS-095760

>  <Target> (266)
Caspase,CDK

>  <Form> (266)
free base

>  <CAS> (266)
779353-01-4

>  <URL> (266)
http://selleckchem.com/products/dinaciclib-sch727965.html

$$$$
MK-5108.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (267)
284

>  <Formula> (267)
C22H21ClFN3O3S

>  <MolWeight> (267)
461.9368432

>  <Cat> (267)
S2770

>  <Name> (267)
MK-5108 (VX-689)

>  <Synonyms> (267)
N/A

>  <Target> (267)
Aurora Kinase,Autophagy

>  <Form> (267)
free base

>  <CAS> (267)
1010085-13-8

>  <URL> (267)
http://selleckchem.com/products/mk-5108-vx-689.html

$$$$
CP868569.cdx
csChFnd80/02252511162D

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 10  5  1  0  0  0  0
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 28 32  1  0  0  0  0
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M  END
>  <Mol_ID> (268)
285

>  <Formula> (268)
C26H29N5O2

>  <MolWeight> (268)
443.54076

>  <Cat> (268)
S2730

>  <Name> (268)
Crenolanib (CP-868596)

>  <Synonyms> (268)
ARO 002

>  <Target> (268)
FLT3,Mitophagy,PDGFR

>  <Form> (268)
free base

>  <CAS> (268)
670220-88-9

>  <URL> (268)
http://selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (269)
286

>  <Formula> (269)
C16H14ClN3O2

>  <MolWeight> (269)
315.75426

>  <Cat> (269)
S2728

>  <Name> (269)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (269)
NSC 693255

>  <Target> (269)
EGFR,HCV,PI4K

>  <Form> (269)
free base

>  <CAS> (269)
153436-53-4,175178-82-2

>  <URL> (269)
http://selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/02252511162D

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    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 11 13  2  0  0  0  0
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 17 11  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
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M  END
>  <Mol_ID> (270)
287

>  <Formula> (270)
C22H27N5O4

>  <MolWeight> (270)
425.48088

>  <Cat> (270)
S2743

>  <Name> (270)
PF-04691502

>  <Synonyms> (270)
PF4691502

>  <Target> (270)
Akt,Apoptosis related,mTOR,PI3K

>  <Form> (270)
free base

>  <CAS> (270)
1013101-36-4

>  <URL> (270)
http://selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/02252511162D

 38 40  0  0  0  0  0  0  0  0999 V2000
   12.1033    5.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.3458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.8909    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    7.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 13  1  0  0  0  0
  4 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
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 33 34  2  0  0  0  0
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 16 35  1  0  0  0  0
  7 15  1  0  0  0  0
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M  END
>  <Mol_ID> (271)
288

>  <Formula> (271)
C28H32ClN3O6

>  <MolWeight> (271)
542.02318

>  <Cat> (271)
S2017

>  <Name> (271)
Benidipine HCl

>  <Synonyms> (271)
KW-3049,(¡À)- Benidipine

>  <Target> (271)
Calcium Channel

>  <Form> (271)
Hydrochloride

>  <CAS> (271)
91599-74-5

>  <URL> (271)
http://selleckchem.com/products/benidipine-hydrochloride.html

$$$$
Lonidamine.cdx
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    4.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5521    6.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 10 11  1  0  0  0  0
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 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (272)
289

>  <Formula> (272)
C15H10Cl2N2O2

>  <MolWeight> (272)
321.1581

>  <Cat> (272)
S2610

>  <Name> (272)
Lonidamine (AF-1890)

>  <Synonyms> (272)
Diclondazolic Acid, DICA

>  <Target> (272)
Carbohydrate Metabolism,Others

>  <Form> (272)
free base

>  <CAS> (272)
50264-69-2

>  <URL> (272)
http://selleckchem.com/products/lonidamine.html

$$$$
CP 673451.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (273)
290

>  <Formula> (273)
C24H27N5O2

>  <MolWeight> (273)
417.50348

>  <Cat> (273)
S1536

>  <Name> (273)
CP-673451

>  <Synonyms> (273)
N/A

>  <Target> (273)
PDGFR

>  <Form> (273)
free base

>  <CAS> (273)
343787-29-1

>  <URL> (273)
http://selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (274)
291

>  <Formula> (274)
C25H43NO18

>  <MolWeight> (274)
645.60482

>  <Cat> (274)
S1271

>  <Name> (274)
Acarbose

>  <Synonyms> (274)
BAY g 5421,Prandase, Precose, Glucobay, Bay-g 5421

>  <Target> (274)
Carbohydrate Metabolism

>  <Form> (274)
free base

>  <CAS> (274)
56180-94-0

>  <URL> (274)
http://selleckchem.com/products/Acarbose.html

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (275)
292

>  <Formula> (275)
C14H22N2O

>  <MolWeight> (275)
234.33728

>  <Cat> (275)
S1357

>  <Name> (275)
Lidocaine

>  <Synonyms> (275)
Alphacaine

>  <Target> (275)
Histamine Receptor

>  <Form> (275)
Free Base

>  <CAS> (275)
137-58-6

>  <URL> (275)
http://selleckchem.com/products/Lidocaine.html

$$$$
PHA.cdx
csChFnd80/02252511162D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
293

>  <Formula> (276)
C12H11N3O

>  <MolWeight> (276)
213.23524

>  <Cat> (276)
S2742

>  <Name> (276)
PHA-767491 HCl

>  <Synonyms> (276)
CAY10572, NMS 1116354

>  <Target> (276)
CDK

>  <Form> (276)
HCl

>  <CAS> (276)
942425-68-5

>  <URL> (276)
http://selleckchem.com/products/pha-767491.html

$$$$
Sodium salicylate.cdx
csChFnd80/02252511162D

 11 10  0  0  0  0  0  0  0  0999 V2000
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    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (277)
294

>  <Formula> (277)
C7H6NaO3

>  <MolWeight> (277)
161.11051

>  <Cat> (277)
S3137

>  <Name> (277)
Sodium salicylate

>  <Synonyms> (277)
2-Hydroxybenzoic acid Sodium salt,Salicylic acid Sodium salt

>  <Target> (277)
NF-¦ÊB

>  <Form> (277)
sodium salt

>  <CAS> (277)
54-21-7

>  <URL> (277)
http://selleckchem.com/products/sodium-salicylate.html

$$$$
TPCA-1.cdx
csChFnd80/02252511162D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    3.9406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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295

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Apoptosis related,I¦ÊB/IKK,NF-¦ÊB,STAT

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free base

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507475-17-4

>  <URL> (278)
http://selleckchem.com/products/tpca-1.html

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C22H24N4O4

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AZD6482

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KIN-193

>  <Target> (279)
PI3K

>  <Form> (279)
free base

>  <CAS> (279)
1173900-33-8

>  <URL> (279)
http://selleckchem.com/products/azd6482.html

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/02252511162D

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297

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C22H19ClN6O2S

>  <MolWeight> (280)
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>  <Name> (280)
Varlitinib

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ARRY334543

>  <Target> (280)
EGFR

>  <Form> (280)
free base

>  <CAS> (280)
845272-21-1

>  <URL> (280)
http://selleckchem.com/products/arry334543.html

$$$$
Tideglusib.cdx
csChFnd80/02252511162D

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865854-05-3

>  <URL> (281)
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C15H14N2O

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semaxinib

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VEGFR

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free base

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204005-46-9

>  <URL> (282)
http://selleckchem.com/products/semaxanib-su5416.html

$$$$
SAR131675.cdx
csChFnd80/02252511162D

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free base

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1433953-83-3

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http://selleckchem.com/products/sar131675.html

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IMD 0354

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IKK2 Inhibitor V

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I¦ÊB/IKK

>  <Form> (284)
free base

>  <CAS> (284)
978-62-1

>  <URL> (284)
http://selleckchem.com/products/imd-0354.html

$$$$
T0070907.cdx
csChFnd80/02252511162D

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DNA-PK,PPAR,RAD51

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free base

>  <CAS> (285)
313516-66-4

>  <URL> (285)
http://selleckchem.com/products/t0070907.html

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csChFnd80/02252511162D

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>  <Target> (286)
c-Met,VEGFR

>  <Form> (286)
free base

>  <CAS> (286)
928037-13-2

>  <URL> (286)
http://selleckchem.com/products/golvatinib-e7050.html

$$$$
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>  <Mol_ID> (287)
304

>  <Formula> (287)
C16H14BrN3O3

>  <MolWeight> (287)
376.20466

>  <Cat> (287)
S2867

>  <Name> (287)
WHI-P154

>  <Synonyms> (287)
N/A

>  <Target> (287)
EGFR,JAK

>  <Form> (287)
free base

>  <CAS> (287)
211555-04-3

>  <URL> (287)
http://selleckchem.com/products/whi-p154.html

$$$$
Schisandrin B.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (288)
305

>  <Formula> (288)
C23H28O6

>  <MolWeight> (288)
400.46482

>  <Cat> (288)
S3600

>  <Name> (288)
Schisandrin B (Sch B)

>  <Synonyms> (288)
N/A

>  <Target> (288)
ATM/ATR,P-gp

>  <Form> (288)
free base

>  <CAS> (288)
61281-37-6

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

$$$$
IKK-16.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (289)
306

>  <Formula> (289)
C28H29N5OS

>  <MolWeight> (289)
483.62776

>  <Cat> (289)
S2882

>  <Name> (289)
IKK-16 (IKK Inhibitor VII)

>  <Synonyms> (289)
N/A

>  <Target> (289)
I¦ÊB/IKK,LRRK2

>  <Form> (289)
free base

>  <CAS> (289)
873225-46-8

>  <URL> (289)
http://selleckchem.com/products/ikk-16.html

$$$$
PF-562271.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (290)
307

>  <Formula> (290)
C21H20F3N7O3S

>  <MolWeight> (290)
507.4888096

>  <Cat> (290)
S2890

>  <Name> (290)
PF-562271

>  <Synonyms> (290)
PF-00562271

>  <Target> (290)
CDK,FAK,Pyk2

>  <Form> (290)
free base

>  <CAS> (290)
717907-75-0

>  <URL> (290)
http://selleckchem.com/products/pf-562271.html

$$$$
GW 441756.cdx
csChFnd80/02252511162D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  4  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 15  2  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
  8 20  2  0  0  0  0
 13 21  1  0  0  0  0
M  END
>  <Mol_ID> (291)
308

>  <Formula> (291)
C17H13N3O

>  <MolWeight> (291)
275.30462

>  <Cat> (291)
S2891

>  <Name> (291)
GW441756

>  <Synonyms> (291)
N/A

>  <Target> (291)
Apoptosis related,Caspase,Trk receptor

>  <Form> (291)
free base

>  <CAS> (291)
504433-23-2

>  <URL> (291)
http://selleckchem.com/products/gw-441756.html

$$$$
BI-D1870.cdx
csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1903    0.0000 C   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
    3.6331    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8903    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    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
  2  8  1  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 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
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 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
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (292)
309

>  <Formula> (292)
C19H23F2N5O2

>  <MolWeight> (292)
391.4150264

>  <Cat> (292)
S2843

>  <Name> (292)
BI-D1870

>  <Synonyms> (292)
N/A

>  <Target> (292)
Autophagy,ROS,S6 Kinase

>  <Form> (292)
free base

>  <CAS> (292)
501437-28-1

>  <URL> (292)
http://selleckchem.com/products/bi-d1870.html

$$$$
ZM323881 HCl.cdx
csChFnd80/02252511162D

 29 31  0  0  0  0  0  0  0  0999 V2000
   14.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 O   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
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1319    0.7834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 19 20  1  0  0  0  0
 15 18  1  0  0  0  0
  7 11  1  0  0  0  0
  5  7  1  0  0  0  0
  2 26  1  0  0  0  0
  4 27  1  0  0  0  0
  1 28  1  0  0  0  0
M  END
>  <Mol_ID> (293)
311

>  <Formula> (293)
C22H19ClFN3O2

>  <MolWeight> (293)
411.8565632

>  <Cat> (293)
S2896

>  <Name> (293)
ZM 323881 HCl

>  <Synonyms> (293)
N/A

>  <Target> (293)
VEGFR

>  <Form> (293)
Hydrochloride

>  <CAS> (293)
193000-39-4

>  <URL> (293)
http://selleckchem.com/products/zm-323881-hcl.html

$$$$
ZM306416.cdx
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8450    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0526    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (294)
312

>  <Formula> (294)
C16H13ClFN3O2

>  <MolWeight> (294)
333.7447232

>  <Cat> (294)
S2897

>  <Name> (294)
ZM 306416

>  <Synonyms> (294)
CB 676475

>  <Target> (294)
VEGFR

>  <Form> (294)
free base

>  <CAS> (294)
690206-97-4

>  <URL> (294)
http://selleckchem.com/products/zm-306416.html

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2123    4.9146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2123    3.5146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4248    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9999    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
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  9 10  1  0  0  0  0
  2 10  1  1  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
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 23 18  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (295)
314

>  <Formula> (295)
C19H21ClFNO3

>  <MolWeight> (295)
365.8263432

>  <Cat> (295)
S3005

>  <Name> (295)
Paroxetine HCl

>  <Synonyms> (295)
BRL-29060A, FG-7051

>  <Target> (295)
Serotonin Transporter

>  <Form> (295)
Hydrochloride

>  <CAS> (295)
78246-49-8

>  <URL> (295)
http://selleckchem.com/products/paroxetine-hcl.html

$$$$
PF477736.cdx
csChFnd80/02252511162D

 31 35  0  0  0  0  0  0  0  0999 V2000
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free base

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952021-60-2

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PKC

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free base

>  <CAS> (297)
133053-19-7

>  <URL> (297)
http://selleckchem.com/products/go-6983.html

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317

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free base

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869288-64-2

>  <URL> (298)
http://selleckchem.com/products/pf-573228.html

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eIF,PERK

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free base

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405060-95-9

>  <URL> (299)
http://selleckchem.com/products/salubrinal.html

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PLK

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free base

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1228960-69-7

>  <URL> (300)
http://selleckchem.com/products/mln0905.html

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C22H21N3O4

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>  <Name> (301)
Icotinib (BPI-2009H)

>  <Synonyms> (301)
BPI-2009H

>  <Target> (301)
EGFR

>  <Form> (301)
free base

>  <CAS> (301)
610798-31-7

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

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TAK 715.cdx
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>  <Target> (302)
p38 MAPK

>  <Form> (302)
free base

>  <CAS> (302)
303162-79-0

>  <URL> (302)
http://selleckchem.com/products/tak-715.html

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TDZD-8

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COVID-19,GSK-3

>  <Form> (303)
free base

>  <CAS> (303)
327036-89-5

>  <URL> (303)
http://selleckchem.com/products/tdzd-8.html

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csChFnd80/02252511162D

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Melatonin (NSC 113928)

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>  <Target> (304)
Apoptosis related,ATF/CREB & c-Fos/c-Jun,Autophagy,COX,Mitophagy,MT Receptor

>  <Form> (304)
free base

>  <CAS> (304)
73-31-4

>  <URL> (304)
http://selleckchem.com/products/Melatonin.html

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    1.2124    5.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5156    0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    2.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    3.3034    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.1681    3.0529    0.0000 Cl  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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 10  6  1  0  0  0  0
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 26 21  1  0  0  0  0
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M  END
>  <Mol_ID> (305)
324

>  <Formula> (305)
C20H22BrCl2N3O2S

>  <MolWeight> (305)
519.28258

>  <Cat> (305)
S1582

>  <Name> (305)
H 89 2HCl

>  <Synonyms> (305)
N/A

>  <Target> (305)
Autophagy,PKA,PKG,S6 Kinase

>  <Form> (305)
Dihydrochloride

>  <CAS> (305)
130964-39-5

>  <URL> (305)
http://selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    1.3951    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4248    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    2.7951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5175    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9126    4.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6102    5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    5.2116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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 14  2  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (306)
325

>  <Formula> (306)
C15H13N3O3S

>  <MolWeight> (306)
315.34702

>  <Cat> (306)
S1830

>  <Name> (306)
Oxfendazole

>  <Synonyms> (306)
RS-8858,Fenbendazole sulfoxide

>  <Target> (306)
Parasite

>  <Form> (306)
free base

>  <CAS> (306)
53716-50-0

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/02252511162D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (307)
326

>  <Formula> (307)
C18H23Cl2NO

>  <MolWeight> (307)
340.28732

>  <Cat> (307)
S2499

>  <Name> (307)
Phenoxybenzamine HCl

>  <Synonyms> (307)
NSC 37448, NCI-c01661

>  <Target> (307)
Adrenergic Receptor

>  <Form> (307)
HCl

>  <CAS> (307)
63-92-3

>  <URL> (307)
http://selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

$$$$
Pazopanib.cdx
csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.4663    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8663    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8912    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (308)
327

>  <Formula> (308)
C21H23N7O2S

>  <MolWeight> (308)
437.51802

>  <Cat> (308)
S3012

>  <Name> (308)
Pazopanib

>  <Synonyms> (308)
GW786034

>  <Target> (308)
Autophagy,Cathepsin B,c-Kit,CSF-1R,Cysteine Protease,FGFR,PDGFR,VEGFR

>  <Form> (308)
Free Base

>  <CAS> (308)
444731-52-6

>  <URL> (308)
http://selleckchem.com/products/pazopanib.html

$$$$
GNF-2.cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (309)
329

>  <Formula> (309)
C18H13F3N4O2

>  <MolWeight> (309)
374.3166296

>  <Cat> (309)
S2899

>  <Name> (309)
GNF-2

>  <Synonyms> (309)
N/A

>  <Target> (309)
Bcr-Abl

>  <Form> (309)
free base

>  <CAS> (309)
778270-11-4

>  <URL> (309)
http://selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (310)
330

>  <Formula> (310)
C26H23N5O

>  <MolWeight> (310)
421.49372

>  <Cat> (310)
S1091

>  <Name> (310)
Linsitinib (OSI-906)

>  <Synonyms> (310)
N/A

>  <Target> (310)
IGF-1R

>  <Form> (310)
free base

>  <CAS> (310)
867160-71-2

>  <URL> (310)
http://selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (311)
331

>  <Formula> (311)
C9H14N4O5

>  <MolWeight> (311)
258.23126

>  <Cat> (311)
S1802

>  <Name> (311)
AICAR (Acadesine)

>  <Synonyms> (311)
NSC105823, AICA Riboside

>  <Target> (311)
AMPK,Mitophagy

>  <Form> (311)
free base

>  <CAS> (311)
2627-69-2

>  <URL> (311)
http://selleckchem.com/products/Acadesine.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (312)
332

>  <Formula> (312)
C32H30FN3O10

>  <MolWeight> (312)
635.5931032

>  <Cat> (312)
S4001

>  <Name> (312)
Cabozantinib malate

>  <Synonyms> (312)
XL184

>  <Target> (312)
Apoptosis related,Axl,c-Kit,c-Met,c-RET,FLT3,VEGFR

>  <Form> (312)
Malate

>  <CAS> (312)
1140909-48-3

>  <URL> (312)
http://selleckchem.com/products/cabozantinib-malate.html

$$$$
PF-04708671.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (313)
333

>  <Formula> (313)
C19H21F3N6

>  <MolWeight> (313)
390.4054496

>  <Cat> (313)
S2163

>  <Name> (313)
PF-4708671

>  <Synonyms> (313)
N/A

>  <Target> (313)
Autophagy,S6 Kinase

>  <Form> (313)
free base

>  <CAS> (313)
1255517-76-0

>  <URL> (313)
http://selleckchem.com/products/pf-4708671.html

$$$$
sennoside B.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (314)
335

>  <Formula> (314)
C42H38O20

>  <MolWeight> (314)
862.73912

>  <Cat> (314)
S4018

>  <Name> (314)
Sennoside B

>  <Synonyms> (314)
N/A

>  <Target> (314)
PDGFR

>  <Form> (314)
Free Base

>  <CAS> (314)
128-57-4

>  <URL> (314)
http://selleckchem.com/products/sennoside-b.html

$$$$
JNK-IN-8.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (315)
336

>  <Formula> (315)
C29H29N7O2

>  <MolWeight> (315)
507.58626

>  <Cat> (315)
S4901

>  <Name> (315)
JNK-IN-8

>  <Synonyms> (315)
JNK Inhibitor XVI

>  <Target> (315)
JNK

>  <Form> (315)
free base

>  <CAS> (315)
1410880-22-6

>  <URL> (315)
http://selleckchem.com/products/jnk-in-8.html

$$$$
SC-514.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (316)
337

>  <Formula> (316)
C9H8N2OS2

>  <MolWeight> (316)
224.30262

>  <Cat> (316)
S4907

>  <Name> (316)
SC-514

>  <Synonyms> (316)
GK 01140

>  <Target> (316)
I¦ÊB/IKK

>  <Form> (316)
free base

>  <CAS> (316)
354812-17-2

>  <URL> (316)
http://selleckchem.com/products/sc-514.html

$$$$
Doxapram HCl.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (317)
338

>  <Formula> (317)
C24H33ClN2O3

>  <MolWeight> (317)
432.98342

>  <Cat> (317)
S4037

>  <Name> (317)
Doxapram HCl

>  <Synonyms> (317)
N/A

>  <Target> (317)
Potassium Channel

>  <Form> (317)
HCl

>  <CAS> (317)
7081-53-0

>  <URL> (317)
http://selleckchem.com/products/doxapram-hcl.html

$$$$
nifuroxazide.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (318)
339

>  <Formula> (318)
C12H9N3O5

>  <MolWeight> (318)
275.21696

>  <Cat> (318)
S4182

>  <Name> (318)
Nifuroxazide

>  <Synonyms> (318)
N/A

>  <Target> (318)
STAT

>  <Form> (318)
free base

>  <CAS> (318)
965-52-6

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

$$$$
MDBN.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (319)
340

>  <Formula> (319)
C9H7NO4

>  <MolWeight> (319)
193.15618

>  <Cat> (319)
S4921

>  <Name> (319)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Synonyms> (319)
MDBN

>  <Target> (319)
p97,Src,Syk,Tyrosinase

>  <Form> (319)
free base

>  <CAS> (319)
1485-00-3

>  <URL> (319)
http://selleckchem.com/products/mdbn.html

$$$$
VX-745.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (320)
341

>  <Formula> (320)
C19H9Cl2F2N3OS

>  <MolWeight> (320)
436.2620664

>  <Cat> (320)
S1458

>  <Name> (320)
Neflamapimod (VX-745)

>  <Synonyms> (320)
N/A

>  <Target> (320)
p38 MAPK

>  <Form> (320)
free base

>  <CAS> (320)
209410-46-8

>  <URL> (320)
http://selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (321)
342

>  <Formula> (321)
C13H16N6O4

>  <MolWeight> (321)
320.30394

>  <Cat> (321)
S1117

>  <Name> (321)
Triciribine (NSC 154020)

>  <Synonyms> (321)
VD-0002, vqd-002, API-2, TCN

>  <Target> (321)
Akt,DNA/RNA Synthesis,HIV

>  <Form> (321)
free base

>  <CAS> (321)
35943-35-2

>  <URL> (321)
http://selleckchem.com/products/Triciribine.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (322)
343

>  <Formula> (322)
C15H12O7

>  <MolWeight> (322)
304.25158

>  <Cat> (322)
S2366

>  <Name> (322)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (322)
N/A

>  <Target> (322)
VEGFR

>  <Form> (322)
free base

>  <CAS> (322)
480-18-2

>  <URL> (322)
http://selleckchem.com/products/Taxifolin(Dihydroquercetin).html

$$$$
Flufenamic acid.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (323)
344

>  <Formula> (323)
C14H10F3NO2

>  <MolWeight> (323)
281.2299096

>  <Cat> (323)
S4268

>  <Name> (323)
Flufenamic acid

>  <Synonyms> (323)
N/A

>  <Target> (323)
Immunology & Inflammation related

>  <Form> (323)
free base

>  <CAS> (323)
530-78-9

>  <URL> (323)
http://selleckchem.com/products/flufenamic-acid.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/02252511162D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 30 15  1  0  0  0  0
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M  END
>  <Mol_ID> (324)
345

>  <Formula> (324)
C19H20F3IN2O5S

>  <MolWeight> (324)
572.3371796

>  <Cat> (324)
S1089

>  <Name> (324)
Refametinib (RDEA119)

>  <Synonyms> (324)
Bay 86-9766

>  <Target> (324)
MEK

>  <Form> (324)
free base

>  <CAS> (324)
923032-37-5

>  <URL> (324)
http://selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (325)
346

>  <Formula> (325)
C19H12O6

>  <MolWeight> (325)
336.29498

>  <Cat> (325)
S4299

>  <Name> (325)
Dicoumarol

>  <Synonyms> (325)
Dicumarol

>  <Target> (325)
PDHK

>  <Form> (325)
free base

>  <CAS> (325)
66-76-2

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/02252511162D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (326)
347

>  <Formula> (326)
C24H25ClFN5O3

>  <MolWeight> (326)
485.9384032

>  <Cat> (326)
S1011

>  <Name> (326)
Afatinib (BIBW2992)

>  <Synonyms> (326)
BIBW2992

>  <Target> (326)
Autophagy,EGFR,HER2

>  <Form> (326)
Free Base

>  <CAS> (326)
850140-72-6

>  <URL> (326)
http://selleckchem.com/products/BIBW2992.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/02252511162D

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (327)
348

>  <Formula> (327)
C44H69NO12

>  <MolWeight> (327)
804.01816

>  <Cat> (327)
S5003

>  <Name> (327)
Tacrolimus (FK506)

>  <Synonyms> (327)
FK506, FR900506, Fujimycin, Prograf

>  <Target> (327)
Autophagy,FKBP,phosphatase

>  <Form> (327)
free base

>  <CAS> (327)
104987-11-3

>  <URL> (327)
http://selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (328)
350

>  <Formula> (328)
C56H87NO16

>  <MolWeight> (328)
1030.28708

>  <Cat> (328)
S1044

>  <Name> (328)
Temsirolimus (CCI-779)

>  <Synonyms> (328)
NSC 683864,CCI-779

>  <Target> (328)
Apoptosis related,Autophagy,mTOR

>  <Form> (328)
free base

>  <CAS> (328)
162635-04-3

>  <URL> (328)
http://selleckchem.com/products/Temsirolimus.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/02252511162D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (329)
351

>  <Formula> (329)
C25H31N7O6

>  <MolWeight> (329)
525.55694

>  <Cat> (329)
S2018

>  <Name> (329)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (329)
N/A

>  <Target> (329)
Aurora Kinase,FLT3,VEGFR

>  <Form> (329)
free base

>  <CAS> (329)
1291074-87-7

>  <URL> (329)
http://selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (330)
352

>  <Formula> (330)
C21H22Cl2FN5O

>  <MolWeight> (330)
450.3366832

>  <Cat> (330)
S1068

>  <Name> (330)
Crizotinib (PF-02341066)

>  <Synonyms> (330)
PF-02341066

>  <Target> (330)
ALK,Autophagy,c-Met,ROS1

>  <Form> (330)
free base

>  <CAS> (330)
877399-52-5

>  <URL> (330)
http://selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (331)
353

>  <Formula> (331)
C27H27FN8O3

>  <MolWeight> (331)
530.5534832

>  <Cat> (331)
S1056

>  <Name> (331)
AC480 (BMS-599626)

>  <Synonyms> (331)
N/A

>  <Target> (331)
EGFR,HER2

>  <Form> (331)
free base

>  <CAS> (331)
714971-09-2

>  <URL> (331)
http://selleckchem.com/products/BMS-599626.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (332)
355

>  <Formula> (332)
C21H20ClNO5

>  <MolWeight> (332)
401.8402

>  <Cat> (332)
S1230

>  <Name> (332)
Flavopiridol (L86-8275)

>  <Synonyms> (332)
NSC 649890 HCl, HMR-1275, Alvocidib

>  <Target> (332)
Autophagy,CDK,HIV

>  <Form> (332)
Free Base

>  <CAS> (332)
146426-40-6

>  <URL> (332)
http://selleckchem.com/products/Flavopiridol.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/02252511162D

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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (333)
356

>  <Formula> (333)
C12H11N5

>  <MolWeight> (333)
225.24924

>  <Cat> (333)
S4511

>  <Name> (333)
6-Benzylaminopurine

>  <Synonyms> (333)
N/A

>  <Target> (333)
ROS

>  <Form> (333)
free base

>  <CAS> (333)
1214-39-7

>  <URL> (333)
http://selleckchem.com/products/6-benzylaminopurine.html

$$$$
Danthron.cdx
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (334)
357

>  <Formula> (334)
C14H8O4

>  <MolWeight> (334)
240.21092

>  <Cat> (334)
S4561

>  <Name> (334)
Danthron

>  <Synonyms> (334)
chrysazin, Antrapurol

>  <Target> (334)
AMPK

>  <Form> (334)
free base

>  <CAS> (334)
117-10-2

>  <URL> (334)
http://selleckchem.com/products/danthron.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/02252511162D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (335)
358

>  <Formula> (335)
C14H23ClN2O

>  <MolWeight> (335)
270.79822

>  <Cat> (335)
S4667

>  <Name> (335)
Lidocaine hydrochloride

>  <Synonyms> (335)
Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (335)
EGFR

>  <Form> (335)
hydrochloride

>  <CAS> (335)
73-78-9

>  <URL> (335)
http://selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4711 Esculetin.cdx
csChFnd80/02252511162D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (336)
359

>  <Formula> (336)
C9H6O4

>  <MolWeight> (336)
178.14154

>  <Cat> (336)
S4711

>  <Name> (336)
Esculetin

>  <Synonyms> (336)
Cichorigenin, Aesculetin

>  <Target> (336)
Lipoxygenase

>  <Form> (336)
free base

>  <CAS> (336)
305-01-1

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

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/02252511162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (337)
360

>  <Formula> (337)
C6H12O5

>  <MolWeight> (337)
164.15648

>  <Cat> (337)
S4701

>  <Name> (337)
2-Deoxy-D-glucose (2-DG)

>  <Synonyms> (337)
2-deoxyglucose, NSC 15193, 2-Deoxy-D-arabino-hexose, D-Arabino-2-deoxyhexose

>  <Target> (337)
Apoptosis related,Carbohydrate Metabolism,HSV

>  <Form> (337)
free base

>  <CAS> (337)
154-17-6

>  <URL> (337)
http://selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (338)
361

>  <Formula> (338)
C21H26ClN3OS

>  <MolWeight> (338)
403.96864

>  <Cat> (338)
S4731

>  <Name> (338)
Perphenazine

>  <Synonyms> (338)
Perphenazin, Trilafon, Etaperazine

>  <Target> (338)
Dopamine Receptor

>  <Form> (338)
free base

>  <CAS> (338)
58-39-9

>  <URL> (338)
http://selleckchem.com/products/perphenazine.html

$$$$
S4736 Trapidil.cdx
csChFnd80/02252511162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (339)
362

>  <Formula> (339)
C10H15N5

>  <MolWeight> (339)
205.2596

>  <Cat> (339)
S4736

>  <Name> (339)
Trapidil

>  <Synonyms> (339)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (339)
PDGFR

>  <Form> (339)
free base

>  <CAS> (339)
15421-84-8

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

$$$$
S4743 Wogonin.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (340)
363

>  <Formula> (340)
C16H12O5

>  <MolWeight> (340)
284.26348

>  <Cat> (340)
S4743

>  <Name> (340)
Wogonin

>  <Synonyms> (340)
Vogonin

>  <Target> (340)
CDK,Transferase

>  <Form> (340)
free base

>  <CAS> (340)
632-85-9

>  <URL> (340)
http://selleckchem.com/products/wogonin.html

$$$$
NS-187.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (341)
364

>  <Formula> (341)
C30H31F3N8O

>  <MolWeight> (341)
576.6153496

>  <Cat> (341)
S1369

>  <Name> (341)
Bafetinib (INNO-406)

>  <Synonyms> (341)
NS-187

>  <Target> (341)
Bcr-Abl

>  <Form> (341)
free base

>  <CAS> (341)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/02252511162D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (342)
365

>  <Formula> (342)
C37H42Cl2N2O6

>  <MolWeight> (342)
681.64518

>  <Cat> (342)
S3609

>  <Name> (342)
Berbamine dihydrochloride

>  <Synonyms> (342)
BA, BBM

>  <Target> (342)
Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (342)
dihydrochloride

>  <CAS> (342)
6078-17-7

>  <URL> (342)
http://selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (343)
366

>  <Formula> (343)
C18H16O8

>  <MolWeight> (343)
360.31484

>  <Cat> (343)
S3612

>  <Name> (343)
Rosmarinic acid

>  <Synonyms> (343)
Rosemary acid

>  <Target> (343)
Complement System,I¦ÊB/IKK

>  <Form> (343)
free base

>  <CAS> (343)
20283-92-5

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (344)
367

>  <Formula> (344)
C37H40N2O6

>  <MolWeight> (344)
608.7233

>  <Cat> (344)
S3606

>  <Name> (344)
Fangchinoline

>  <Synonyms> (344)
N/A

>  <Target> (344)
Reverse Transcriptase

>  <Form> (344)
free base

>  <CAS> (344)
33889-68-8

>  <URL> (344)
http://selleckchem.com/products/r-s-fangchinoline.html

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/02252511162D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (345)
368

>  <Formula> (345)
C4H7NO2

>  <MolWeight> (345)
101.10388

>  <Cat> (345)
S3699

>  <Name> (345)
2,3-Butanedione-2-monoxime

>  <Synonyms> (345)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (345)
MLCK

>  <Form> (345)
free base

>  <CAS> (345)
57-71-6

>  <URL> (345)
http://selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/02252511162D

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 68 69  1  0  0  0  0
 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (346)
369

>  <Formula> (346)
C48H78O19

>  <MolWeight> (346)
959.12152

>  <Cat> (346)
S3616

>  <Name> (346)
Asiaticoside

>  <Synonyms> (346)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (346)
ROS

>  <Form> (346)
free base

>  <CAS> (346)
16830-15-2

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

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/02252511162D

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 10  2  1  0  0  0  0
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 41 36  1  0  0  0  0
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 23 46  1  6  0  0  0
 18 47  1  0  0  0  0
M  END
>  <Mol_ID> (347)
370

>  <Formula> (347)
C37H40N2O6

>  <MolWeight> (347)
608.7233

>  <Cat> (347)
S3611

>  <Name> (347)
(+)-Fangchinoline

>  <Synonyms> (347)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (347)
Others

>  <Form> (347)
free base

>  <CAS> (347)
436-77-1

>  <URL> (347)
http://selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.0184    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.1553    6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  6  0  0  0
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  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
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  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (348)
371

>  <Formula> (348)
C15H18O2

>  <MolWeight> (348)
230.30222

>  <Cat> (348)
S3615

>  <Name> (348)
Dehydrocostus Lactone

>  <Synonyms> (348)
N/A

>  <Target> (348)
I¦ÊB/IKK

>  <Form> (348)
free base

>  <CAS> (348)
477-43-0

>  <URL> (348)
http://selleckchem.com/products/dehydrocostus-lactone.html

$$$$
S3610 Cordycepin.cdx
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4576    4.0535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
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 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (349)
372

>  <Formula> (349)
C10H13N5O3

>  <MolWeight> (349)
251.24192

>  <Cat> (349)
S3610

>  <Name> (349)
Cordycepin

>  <Synonyms> (349)
3'-Deoxyadenosine

>  <Target> (349)
MMP

>  <Form> (349)
free base

>  <CAS> (349)
73-03-0

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

$$$$
S3626 Sesamol.cdx
csChFnd80/02252511162D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6251    0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7843    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (350)
373

>  <Formula> (350)
C7H6O3

>  <MolWeight> (350)
138.12074

>  <Cat> (350)
S3626

>  <Name> (350)
Sesamol

>  <Synonyms> (350)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (350)
Antioxidant

>  <Form> (350)
free base

>  <CAS> (350)
533-31-3

>  <URL> (350)
http://selleckchem.com/products/sesamol.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/02252511162D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5 10  1  0  0  0  0
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  7 13  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (351)
374

>  <Formula> (351)
C11H8O3

>  <MolWeight> (351)
188.17942

>  <Cat> (351)
S3661

>  <Name> (351)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (351)
N/A

>  <Target> (351)
PKC

>  <Form> (351)
free base

>  <CAS> (351)
2348-82-5

>  <URL> (351)
http://selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2876    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8704    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7423    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518    0.0044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1578    2.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    4.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (352)
375

>  <Formula> (352)
C16H14N2O4

>  <MolWeight> (352)
298.29336

>  <Cat> (352)
S3648

>  <Name> (352)
Amlexanox (AA-673)

>  <Synonyms> (352)
CHX-3673, Amoxanox

>  <Target> (352)
Immunology & Inflammation related,I¦ÊB/IKK,TBK1

>  <Form> (352)
free base

>  <CAS> (352)
68302-57-8

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

$$$$
S3666 Ilaprazole.cdx
csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.8497    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    3.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1813    1.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1806    3.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    3.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0038    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4038    2.4240    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.1042    1.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1034    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6038    2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5034    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034    3.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7034    3.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159    3.8193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (353)
376

>  <Formula> (353)
C19H18N4O2S

>  <MolWeight> (353)
366.43682

>  <Cat> (353)
S3666

>  <Name> (353)
Ilaprazole

>  <Synonyms> (353)
IY-81149

>  <Target> (353)
ATPase,Proton Pump

>  <Form> (353)
free base

>  <CAS> (353)
172152-36-2

>  <URL> (353)
http://selleckchem.com/products/ilaprazole.html

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2831    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (354)
377

>  <Formula> (354)
C15H14O3

>  <MolWeight> (354)
242.26986

>  <Cat> (354)
S3939

>  <Name> (354)
4'-Methoxyresveratrol

>  <Synonyms> (354)
N/A

>  <Target> (354)
NF-¦ÊB,NLRP3

>  <Form> (354)
free base

>  <CAS> (354)
33626-08-3

>  <URL> (354)
http://selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/02252511162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (355)
378

>  <Formula> (355)
C16H16O4

>  <MolWeight> (355)
272.29584

>  <Cat> (355)
S3940

>  <Name> (355)
3'-Hydroxypterostilbene

>  <Synonyms> (355)
3'-HPT

>  <Target> (355)
ERK,JNK,p38 MAPK,S6 Kinase

>  <Form> (355)
free base

>  <CAS> (355)
475231-21-1

>  <URL> (355)
http://selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/02252511162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (356)
379

>  <Formula> (356)
C18H22O4

>  <MolWeight> (356)
302.36488

>  <Cat> (356)
S3984

>  <Name> (356)
Nordihydroguaiaretic acid (NDGA)

>  <Synonyms> (356)
N/A

>  <Target> (356)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HER2,IGF-1R,Lipoxygenase

>  <Form> (356)
free base

>  <CAS> (356)
500-38-9

>  <URL> (356)
http://selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/02252511162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (357)
380

>  <Formula> (357)
C6H13NO4

>  <MolWeight> (357)
163.17172

>  <Cat> (357)
S3839

>  <Name> (357)
1-Deoxynojirimycin

>  <Synonyms> (357)
duvoglustat, moranolin

>  <Target> (357)
Carbohydrate Metabolism

>  <Form> (357)
free base

>  <CAS> (357)
19130-96-2

>  <URL> (357)
http://selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/02252511162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (358)
381

>  <Formula> (358)
C13H13ClN2O

>  <MolWeight> (358)
248.70812

>  <Cat> (358)
S3817

>  <Name> (358)
Harmine hydrochloride

>  <Synonyms> (358)
Telepathine hydrochloride

>  <Target> (358)
5-HT Receptor,ADC Cytotoxin,DYRK,MAO

>  <Form> (358)
hydrochloride

>  <CAS> (358)
343-27-1

>  <URL> (358)
http://selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
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 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (359)
382

>  <Formula> (359)
C19H20O5

>  <MolWeight> (359)
328.3591

>  <Cat> (359)
S3819

>  <Name> (359)
Decursinol angelate

>  <Synonyms> (359)
N/A

>  <Target> (359)
PKC

>  <Form> (359)
free base

>  <CAS> (359)
130848-06-5

>  <URL> (359)
http://selleckchem.com/products/decursinol-angelate.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/02252511162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
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  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
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 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
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 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (360)
383

>  <Formula> (360)
C21H20O11

>  <MolWeight> (360)
448.3769

>  <Cat> (360)
S3824

>  <Name> (360)
Quercitrin

>  <Synonyms> (360)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (360)
Immunology & Inflammation related

>  <Form> (360)
free base

>  <CAS> (360)
522-12-3

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/02252511162D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 11  2  0  0  0  0
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 14 15  1  0  0  0  0
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 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (361)
384

>  <Formula> (361)
C17H26O4

>  <MolWeight> (361)
294.38594

>  <Cat> (361)
S3836

>  <Name> (361)
6-Gingerol

>  <Synonyms> (361)
N/A

>  <Target> (361)
Apoptosis related

>  <Form> (361)
free base

>  <CAS> (361)
23513-14-6

>  <URL> (361)
http://selleckchem.com/products/6-gingerol.html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6155    4.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  2  0  0  0  0
 21  5  1  0  0  0  0
  8  6  1  0  0  0  0
 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
  7 10  2  0  0  0  0
 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  2  0  0  0  0
 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 15 23  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (362)
385

>  <Formula> (362)
C19H17NaO6S

>  <MolWeight> (362)
396.38945

>  <Cat> (362)
S3766

>  <Name> (362)
Tanshinone IIA sulfonate sodium

>  <Synonyms> (362)
N/A

>  <Target> (362)
Calcium Channel,P2 Receptor,P450 (e.g. CYP17)

>  <Form> (362)
sodium salt

>  <CAS> (362)
69659-80-9

>  <URL> (362)
http://selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/02252511162D

 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> (363)
386

>  <Formula> (363)
C8H8O4

>  <MolWeight> (363)
168.14672

>  <Cat> (363)
S3759

>  <Name> (363)
Norcantharidin

>  <Synonyms> (363)
Endothall anhydride

>  <Target> (363)
c-Met,EGFR

>  <Form> (363)
free base

>  <CAS> (363)
29745-04-8

>  <URL> (363)
http://selleckchem.com/products/norcantharidin.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/02252511162D

 55 59  0  0  0  0  0  0  0  0999 V2000
    9.7655    7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4955    6.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4383    8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3657    7.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8638    6.1068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7941    4.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6719    8.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5767    7.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5623    4.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4391   10.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4788    1.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4070    2.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6101    2.4449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3857   13.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0781    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7774    0.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0101    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   14.5702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6199   13.3015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6351   10.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    8.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   10.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7795    9.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3646   15.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2201   13.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1807    9.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1055   10.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804   15.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617   17.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634    7.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8912   10.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7824   12.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1782   12.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2912   10.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
 12  6  1  6  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 19 13  1  1  0  0  0
 14 20  2  0  0  0  0
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 17 22  1  0  0  0  0
 17 23  1  1  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  1  0  0  0
 24 31  1  1  0  0  0
 24 29  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  6  0  0  0
 27 35  1  0  0  0  0
 27 36  2  0  0  0  0
 28 37  1  0  0  0  0
 29 38  1  6  0  0  0
 32 39  1  0  0  0  0
 32 40  1  1  0  0  0
 33 41  1  1  0  0  0
 33 39  1  0  0  0  0
 35 42  2  0  0  0  0
 36 43  1  0  0  0  0
 37 44  2  0  0  0  0
 37 45  1  0  0  0  0
 39 46  1  6  0  0  0
 40 47  1  0  0  0  0
 42 48  1  0  0  0  0
 42 49  1  0  0  0  0
 43 48  2  0  0  0  0
 44 50  1  0  0  0  0
 45 51  2  0  0  0  0
 48 52  1  0  0  0  0
 50 53  2  0  0  0  0
 50 54  1  0  0  0  0
 51 53  1  0  0  0  0
 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (364)
387

>  <Formula> (364)
C35H46O20

>  <MolWeight> (364)
786.72774

>  <Cat> (364)
S3783

>  <Name> (364)
Echinacoside

>  <Synonyms> (364)
N/A

>  <Target> (364)
Tyrosinase

>  <Form> (364)
free base

>  <CAS> (364)
82854-37-3

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

$$$$
S3784 Obacunone.cdx
csChFnd80/02252511162D

 35 40  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.1628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    3.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3566    3.4726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    5.5723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    2.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    4.1870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716    4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    6.2674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1413    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    3.4920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7113    5.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1851    1.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716    5.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8305    3.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    7.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    2.0824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4073    4.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2727    8.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5085    8.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415    4.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  5  1  1  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  6  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  6  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
  2 31  1  1  0  0  0
 12 32  1  1  0  0  0
 19 33  1  6  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
>  <Mol_ID> (365)
388

>  <Formula> (365)
C26H30O7

>  <MolWeight> (365)
454.5122

>  <Cat> (365)
S3784

>  <Name> (365)
Obacunone (AI3-37934)

>  <Synonyms> (365)
CCRIS 8657

>  <Target> (365)
Aromatase,Nrf2

>  <Form> (365)
free base

>  <CAS> (365)
751-03-1

>  <URL> (365)
http://selleckchem.com/products/obacunone.html

$$$$
S3786 Glabridin.cdx
csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.8248    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    4.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    0.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    4.8474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6995    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    4.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6995    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    3.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    7.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3392    7.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (366)
389

>  <Formula> (366)
C20H20O4

>  <MolWeight> (366)
324.3704

>  <Cat> (366)
S3786

>  <Name> (366)
Glabridin

>  <Synonyms> (366)
Q-100692, KB-289522, LS-176045

>  <Target> (366)
GABA Receptor,PPAR

>  <Form> (366)
free base

>  <CAS> (366)
59870-68-7

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

$$$$
S3787 Picroside I.cdx
csChFnd80/02252511162D

 38 42  0  0  0  0  0  0  0  0999 V2000
   15.8873    5.8563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7069    6.9896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5571    6.2863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2798    5.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5998    4.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8844    8.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5571    7.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    5.5857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3143    9.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    8.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    4.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1261    6.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1468    7.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1282    3.4866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9238    4.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1282    2.0946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6991    3.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9297    1.4027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3441    1.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6991    2.1131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4900    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9297    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4894    1.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7022    4.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7052    9.0748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6426    3.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3406    2.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  4  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  6  0  0  0
  6  9  1  6  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  6  0  0  0
  8 11  1  6  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  6  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 22  1  1  0  0  0
 18 20  1  0  0  0  0
 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
  5 27  1  0  0  0  0
 14 28  1  6  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (367)
390

>  <Formula> (367)
C24H28O11

>  <MolWeight> (367)
492.47252

>  <Cat> (367)
S3787

>  <Name> (367)
Picroside I

>  <Synonyms> (367)
6'-Cinnamoylcatalpol

>  <Target> (367)
Anti-infection

>  <Form> (367)
free base

>  <CAS> (367)
27409-30-9

>  <URL> (367)
http://selleckchem.com/products/picroside-i.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (368)
391

>  <Formula> (368)
C17H14O5

>  <MolWeight> (368)
298.29006

>  <Cat> (368)
S3918

>  <Name> (368)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (368)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether; 4',7-dimethylapigenin

>  <Target> (368)
Carbohydrate Metabolism

>  <Form> (368)
free base

>  <CAS> (368)
5128-44-9

>  <URL> (368)
http://selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/02252511162D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    7.7006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0642    6.3006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2770    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4891    6.3019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4884    7.7019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7004    8.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    7.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7019    5.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2777    4.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234   13.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   12.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   10.9181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249   10.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   10.9194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497   10.2200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0618   10.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   12.3206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2732   13.0213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6049   12.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4272   13.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6037   14.8546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2724   14.4213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0597   15.1206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8476   14.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   13.0200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6362   12.3194    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2948   16.7403    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7226   18.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3322   18.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7599   19.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3695   19.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973   20.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6718   16.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0868   14.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678   15.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9448   16.1469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8408   15.0742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3598   13.7619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9829   13.5223    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5019   12.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3979   11.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2559   12.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2178   15.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4257   17.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513   18.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355   13.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3253    9.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589   16.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181   15.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9946   17.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200   11.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   11.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.6192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   13.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9556   15.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    9.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  1  0  0  0
  5  9  1  6  0  0  0
  6 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 17 18  1  6  0  0  0
 16 20  1  1  0  0  0
 15 21  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 27 39  1  0  0  0  0
 23 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 47 52  1  0  0  0  0
 53 54  1  0  0  0  0
 52 53  1  1  0  0  0
 51 55  1  6  0  0  0
 50 56  1  1  0  0  0
 49 57  1  6  0  0  0
 48 46  1  1  0  0  0
 40 46  1  0  0  0  0
 44 58  1  0  0  0  0
 34 40  1  0  0  0  0
 39 59  1  1  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 36 62  1  1  0  0  0
 25 63  1  1  0  0  0
 28 22  1  6  0  0  0
 13 22  1  0  0  0  0
 14 11  1  1  0  0  0
  2 11  1  0  0  0  0
 35 64  1  1  0  0  0
 40 65  1  1  0  0  0
 31 66  1  6  0  0  0
 38 67  1  6  0  0  0
 27 68  1  6  0  0  0
 30 69  1  1  0  0  0
 34 70  1  6  0  0  0
 13 71  1  1  0  0  0
  2 72  1  1  0  0  0
M  END
>  <Mol_ID> (369)
392

>  <Formula> (369)
C48H82O18

>  <MolWeight> (369)
947.15388

>  <Cat> (369)
S3811

>  <Name> (369)
Ginsenoside Re

>  <Synonyms> (369)
Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (369)
Beta Amyloid,JNK,NF-¦ÊB

>  <Form> (369)
free base

>  <CAS> (369)
52286-59-6

>  <URL> (369)
http://selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/02252511162D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    0.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (370)
393

>  <Formula> (370)
C10H8O4

>  <MolWeight> (370)
192.16812

>  <Cat> (370)
S3881

>  <Name> (370)
Scopoletin

>  <Synonyms> (370)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (370)
Immunology & Inflammation related

>  <Form> (370)
free base

>  <CAS> (370)
92-61-5

>  <URL> (370)
http://selleckchem.com/products/scopoletin.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/02252511162D

 58 65  0  0  0  0  0  0  0  0999 V2000
    9.6984    9.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4740    8.5036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9007    8.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090   11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    6.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6298    8.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9085   13.8162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5399   14.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4317    2.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2474    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6339    4.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0378    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    4.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    9.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0266   14.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6441    2.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0507    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4319    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1841   15.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1448   15.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8692   13.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9732    7.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7260   12.3908    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
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  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 55  1  1  0  0  0
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  6 56  1  6  0  0  0
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  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
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 10 14  1  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
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 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  1  0  0  0
 15 23  1  0  0  0  0
 24 17  1  1  0  0  0
 18 25  1  1  0  0  0
 21 26  1  0  0  0  0
 21 23  1  0  0  0  0
 21 57  1  6  0  0  0
 23 27  1  1  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 30 25  1  1  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  1  0  0  0
 35 42  1  1  0  0  0
 35 40  1  0  0  0  0
 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  0  0  0  0
 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
 46 51  1  0  0  0  0
 46 52  1  0  0  0  0
 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (371)
394

>  <Formula> (371)
C41H68O14

>  <MolWeight> (371)
784.97022

>  <Cat> (371)
S3901

>  <Name> (371)
Astragaloside IV

>  <Synonyms> (371)
AST-IV, AS-IV

>  <Target> (371)
Akt,ERK,JNK,mTOR,NF-¦ÊB

>  <Form> (371)
free base

>  <CAS> (371)
84687-43-4

>  <URL> (371)
http://selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/02252511162D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.8968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8789    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4354    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
  4  2  1  0  0  0  0
  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (372)
395

>  <Formula> (372)
C20H24O11

>  <MolWeight> (372)
440.39796

>  <Cat> (372)
S3781

>  <Name> (372)
Ginkgolide C

>  <Synonyms> (372)
BN-52022

>  <Target> (372)
MMP

>  <Form> (372)
free base

>  <CAS> (372)
15291-76-6

>  <URL> (372)
http://selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/02252511162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (373)
396

>  <Formula> (373)
C7H6O4

>  <MolWeight> (373)
154.12014

>  <Cat> (373)
S3799

>  <Name> (373)
Gentisic acid

>  <Synonyms> (373)
DHB, 2,5-dihydroxybenzoic acid, 5-Hydroxysalicylic acid, Gentianic acid, Carboxyhydroquinone, Hydroquinonecarboxylic acid

>  <Target> (373)
Immunology & Inflammation related

>  <Form> (373)
free base

>  <CAS> (373)
490-79-9

>  <URL> (373)
http://selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/02252511162D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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PDE

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free base

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487-41-2

>  <URL> (374)
http://selleckchem.com/products/forsythin.html

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N/A

>  <Target> (375)
PAK

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free base

>  <CAS> (375)
42521-82-4

>  <URL> (375)
http://selleckchem.com/products/ipa-3.html

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>  <Formula> (376)
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Src

>  <Form> (376)
free base

>  <CAS> (376)
172889-27-9

>  <URL> (376)
http://selleckchem.com/products/pp2.html

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EGFR

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free base

>  <CAS> (377)
194423-15-9

>  <URL> (377)
http://selleckchem.com/products/pd168393.html

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free base

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403811-55-2

>  <URL> (378)
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402

>  <Formula> (379)
C16H19N5

>  <MolWeight> (379)
281.35556

>  <Cat> (379)
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PP1

>  <Synonyms> (379)
AGL 1872, EI 275

>  <Target> (379)
Src

>  <Form> (379)
free base

>  <CAS> (379)
172889-26-8

>  <URL> (379)
http://selleckchem.com/products/pp1.html

$$$$
CGK 733.cdx
csChFnd80/02252511162D

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403

>  <Formula> (380)
C23H18Cl3FN4O3S

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>  <Cat> (380)
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>  <Name> (380)
CGK 733

>  <Synonyms> (380)
N/A

>  <Target> (380)
ATM/ATR

>  <Form> (380)
free base

>  <CAS> (380)
905973-89-9

>  <URL> (380)
http://selleckchem.com/products/cgk-733.html

$$$$
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404

>  <Formula> (381)
C28H36ClN5O3S

>  <MolWeight> (381)
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>  <Cat> (381)
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>  <Name> (381)
Ceritinib (LDK378)

>  <Synonyms> (381)
N/A

>  <Target> (381)
ALK,FLT3,IGF-1R,Serine/threonin kinase

>  <Form> (381)
free base

>  <CAS> (381)
1032900-25-6

>  <URL> (381)
http://selleckchem.com/products/ldk378.html

$$$$
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Abemaciclib mesylate (LY2835219)

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CDK

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mesylate

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1231930-82-7

>  <URL> (382)
http://selleckchem.com/products/ly2835219.html

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CDK

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free base

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220036-08-8

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http://selleckchem.com/products/nu6027.html

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CNX-2006

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N/A

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EGFR

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free base

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1375465-09-0

>  <URL> (384)
http://selleckchem.com/products/cnx-2006.html

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Olverembatinib dimesylate (HQP1351)

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GZD824 Dimesylate

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Bcr-Abl

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Mesylate

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1421783-64-3

>  <URL> (385)
http://selleckchem.com/products/gzd824.html

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M  END
>  <Mol_ID> (386)
409

>  <Formula> (386)
C16H14N4O2S

>  <MolWeight> (386)
326.37296

>  <Cat> (386)
S7195

>  <Name> (386)
RKI-1447

>  <Synonyms> (386)
N/A

>  <Target> (386)
ROCK

>  <Form> (386)
free base

>  <CAS> (386)
1342278-01-6

>  <URL> (386)
http://selleckchem.com/products/rki-1447.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (387)
410

>  <Formula> (387)
C24H25ClN6O

>  <MolWeight> (387)
448.9479

>  <Cat> (387)
S7106

>  <Name> (387)
AZD3463

>  <Synonyms> (387)
N/A

>  <Target> (387)
ALK,Apoptosis related,Autophagy,IGF-1R

>  <Form> (387)
free base

>  <CAS> (387)
1356962-20-3

>  <URL> (387)
http://selleckchem.com/products/azd3463.html

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (388)
411

>  <Formula> (388)
C54H92O23

>  <MolWeight> (388)
1109.29448

>  <Cat> (388)
S3924

>  <Name> (388)
Ginsenoside Rb1

>  <Synonyms> (388)
Gypenoside ¢ó

>  <Target> (388)
ATPase,IFN,IRAK,NF-¦ÊB,NOS,TLR,TNF-alpha

>  <Form> (388)
free base

>  <CAS> (388)
41753-43-9

>  <URL> (388)
http://selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
csChFnd80/02252511162D

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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (389)
412

>  <Formula> (389)
C13H12N2O

>  <MolWeight> (389)
212.24718

>  <Cat> (389)
S3868

>  <Name> (389)
Harmine

>  <Synonyms> (389)
Telepathine

>  <Target> (389)
MAO,PPAR

>  <Form> (389)
free base

>  <CAS> (389)
442-51-3

>  <URL> (389)
http://selleckchem.com/products/harmine.html

$$$$
S3980 Pyridoxine.cdx
csChFnd80/02252511162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (390)
413

>  <Formula> (390)
C8H11NO3

>  <MolWeight> (390)
169.17784

>  <Cat> (390)
S3980

>  <Name> (390)
Pyridoxine

>  <Synonyms> (390)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (390)
Vitamin

>  <Form> (390)
free base

>  <CAS> (390)
65-23-6

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

$$$$
S4990 TBHQ.cdx
csChFnd80/02252511162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (391)
414

>  <Formula> (391)
C10H14O2

>  <MolWeight> (391)
166.21696

>  <Cat> (391)
S4990

>  <Name> (391)
TBHQ

>  <Synonyms> (391)
Tert-butylhydroquinone

>  <Target> (391)
Nrf2

>  <Form> (391)
free base

>  <CAS> (391)
1948-33-0

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395    4.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    0.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    6.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (392)
415

>  <Formula> (392)
C18H16O7

>  <MolWeight> (392)
344.31544

>  <Cat> (392)
S4953

>  <Name> (392)
Usnic acid

>  <Synonyms> (392)
Usniacin

>  <Target> (392)
Akt,ERK

>  <Form> (392)
free base

>  <CAS> (392)
125-46-2

>  <URL> (392)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/02252511162D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    7.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
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  5  4  1  0  0  0  0
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 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
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  8 15  1  0  0  0  0
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 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (393)
416

>  <Formula> (393)
C32H40O8

>  <MolWeight> (393)
552.6552

>  <Cat> (393)
S3832

>  <Name> (393)
Euphorbiasteroid

>  <Synonyms> (393)
Euphorbia factor L1

>  <Target> (393)
AMPK

>  <Form> (393)
free base

>  <CAS> (393)
28649-59-4

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

$$$$
S4861 Oxindole.cdx
csChFnd80/02252511162D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4520    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    0.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015    1.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (394)
417

>  <Formula> (394)
C8H7NO

>  <MolWeight> (394)
133.14728

>  <Cat> (394)
S4861

>  <Name> (394)
Oxindole

>  <Synonyms> (394)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (394)
Bacterial,HIV

>  <Form> (394)
free base

>  <CAS> (394)
59-48-3

>  <URL> (394)
http://selleckchem.com/products/oxindole.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.6046    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8480    2.1008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2120    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    6.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (395)
418

>  <Formula> (395)
C10H13N5O

>  <MolWeight> (395)
219.24312

>  <Cat> (395)
S4884

>  <Name> (395)
Trans-Zeatin

>  <Synonyms> (395)
(E)-Zeatin

>  <Target> (395)
ERK,JNK,MMP,p38 MAPK

>  <Form> (395)
Cytokinins

>  <CAS> (395)
1637-39-4

>  <URL> (395)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/02252511162D

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  5 10  2  0  0  0  0
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M  END
>  <Mol_ID> (396)
419

>  <Formula> (396)
C9H9N

>  <MolWeight> (396)
131.17446

>  <Cat> (396)
S4959

>  <Name> (396)
Skatole

>  <Synonyms> (396)
3-methylindole, Scatole

>  <Target> (396)
Bacterial

>  <Form> (396)
Indoles

>  <CAS> (396)
83-34-1

>  <URL> (396)
http://selleckchem.com/products/skatole.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (397)
420

>  <Formula> (397)
C47H80O18

>  <MolWeight> (397)
933.1273

>  <Cat> (397)
S3785

>  <Name> (397)
Notoginsenoside R1

>  <Synonyms> (397)
Sanchinoside R1, NG-R1, NGR1

>  <Target> (397)
Akt,ERK,PAI-1,PI3K

>  <Form> (397)
free base

>  <CAS> (397)
80418-24-2

>  <URL> (397)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (398)
421

>  <Formula> (398)
C15H8Br2INO2

>  <MolWeight> (398)
520.94199

>  <Cat> (398)
S2872

>  <Name> (398)
GW5074

>  <Synonyms> (398)
N/A

>  <Target> (398)
Apoptosis related,Raf

>  <Form> (398)
free base

>  <CAS> (398)
220904-83-6

>  <URL> (398)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/02252511162D

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 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (399)
422

>  <Formula> (399)
C29H36O15

>  <MolWeight> (399)
624.58714

>  <Cat> (399)
S2323

>  <Name> (399)
Methyl-Hesperidin

>  <Synonyms> (399)
N/A

>  <Target> (399)
Akt,PKC

>  <Form> (399)
free base

>  <CAS> (399)
11013-97-1

>  <URL> (399)
http://selleckchem.com/products/Methyl-Hesperidin.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/02252511162D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (400)
423

>  <Formula> (400)
C19H19ClN6O4S3

>  <MolWeight> (400)
527.03996

>  <Cat> (400)
S1154

>  <Name> (400)
SNS-314

>  <Synonyms> (400)
N/A

>  <Target> (400)
Aurora Kinase

>  <Form> (400)
Mesylate

>  <CAS> (400)
1057249-41-8

>  <URL> (400)
http://selleckchem.com/products/sns-314-mesylate.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  7  1  0  0  0  0
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 18 15  1  1  0  0  0
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 23 27  1  0  0  0  0
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 25 30  1  1  0  0  0
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 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (401)
424

>  <Formula> (401)
C21H18O12

>  <MolWeight> (401)
462.36042

>  <Cat> (401)
S3810

>  <Name> (401)
Scutellarin

>  <Synonyms> (401)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (401)
Akt,NF-¦ÊB,STAT

>  <Form> (401)
free base

>  <CAS> (401)
27740-01-8

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

$$$$
GSK2636771.cdx
csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6458    9.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 23  1  0  0  0  0
M  END
>  <Mol_ID> (402)
425

>  <Formula> (402)
C22H22F3N3O3

>  <MolWeight> (402)
433.4235896

>  <Cat> (402)
S8002

>  <Name> (402)
GSK2636771

>  <Synonyms> (402)
N/A

>  <Target> (402)
PI3K

>  <Form> (402)
free base

>  <CAS> (402)
1372540-25-4

>  <URL> (402)
http://selleckchem.com/products/gsk2636771.html

$$$$
PQ 401.cdx
csChFnd80/02252511162D

 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
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>  <Mol_ID> (403)
426

>  <Formula> (403)
C18H16ClN3O2

>  <MolWeight> (403)
341.79154

>  <Cat> (403)
S8003

>  <Name> (403)
PQ 401

>  <Synonyms> (403)
N/A

>  <Target> (403)
IGF-1R

>  <Form> (403)
free base

>  <CAS> (403)
196868-63-0

>  <URL> (403)
http://selleckchem.com/products/pq-401.html

$$$$
AP26113.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (404)
427

>  <Formula> (404)
C26H34ClN6O2P

>  <MolWeight> (404)
529.013921

>  <Cat> (404)
S7000

>  <Name> (404)
AP26113-analog (ALK-IN-1)

>  <Synonyms> (404)
N/A

>  <Target> (404)
ALK,EGFR

>  <Form> (404)
free base

>  <CAS> (404)
1197958-12-5

>  <URL> (404)
http://selleckchem.com/products/ap26113.html

$$$$
IPI-145.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (405)
428

>  <Formula> (405)
C22H17ClN6O

>  <MolWeight> (405)
416.86298

>  <Cat> (405)
S7028

>  <Name> (405)
Duvelisib (IPI-145)

>  <Synonyms> (405)
INK1197

>  <Target> (405)
PI3K

>  <Form> (405)
free base

>  <CAS> (405)
1201438-56-3

>  <URL> (405)
http://selleckchem.com/products/ipi-145-ink1197.html

$$$$
STATTIC.cdx
csChFnd80/02252511162D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (406)
429

>  <Formula> (406)
C8H5NO4S

>  <MolWeight> (406)
211.1946

>  <Cat> (406)
S7024

>  <Name> (406)
Stattic

>  <Synonyms> (406)
N/A

>  <Target> (406)
Apoptosis related,STAT

>  <Form> (406)
free base

>  <CAS> (406)
19983-44-9

>  <URL> (406)
http://selleckchem.com/products/stattic.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (407)
430

>  <Formula> (407)
C18H16N2O2

>  <MolWeight> (407)
292.33184

>  <Cat> (407)
S7099

>  <Name> (407)
(-)-Blebbistatin

>  <Synonyms> (407)
(S)-(-)-Blebbistatin

>  <Target> (407)
ATPase

>  <Form> (407)
free base

>  <CAS> (407)
856925-71-8

>  <URL> (407)
http://selleckchem.com/products/blebbistatin.html

$$$$
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csChFnd80/02252511162D

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>  <Target> (408)
PCSK9

>  <Form> (408)
free base

>  <CAS> (408)
489415-96-5

>  <URL> (408)
http://selleckchem.com/products/sbc-115076.html

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432

>  <Formula> (409)
C19H12F4N4O2

>  <MolWeight> (409)
404.3177928

>  <Cat> (409)
S6005

>  <Name> (409)
VX-702

>  <Synonyms> (409)
N/A

>  <Target> (409)
p38 MAPK

>  <Form> (409)
free base

>  <CAS> (409)
745833-23-2

>  <URL> (409)
http://selleckchem.com/products/VX-702.html

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433

>  <Formula> (410)
C17H13N3O7

>  <MolWeight> (410)
371.30102

>  <Cat> (410)
S7129

>  <Name> (410)
PYR-41

>  <Synonyms> (410)
N/A

>  <Target> (410)
Apoptosis related,E1 Activating

>  <Form> (410)
free base

>  <CAS> (410)
418805-02-4

>  <URL> (410)
http://selleckchem.com/products/pyr-41.html

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>  <Mol_ID> (411)
435

>  <Formula> (411)
C29H28N4O2

>  <MolWeight> (411)
464.55822

>  <Cat> (411)
S7843

>  <Name> (411)
BI-847325

>  <Synonyms> (411)
N/A

>  <Target> (411)
Aurora Kinase,MEK

>  <Form> (411)
free base

>  <CAS> (411)
1207293-36-4

>  <URL> (411)
http://selleckchem.com/products/bi-847325.html

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EGFR

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free base

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1421373-98-9

>  <URL> (412)
http://selleckchem.com/products/az5104.html

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N/A

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LRRK2

>  <Form> (413)
free base

>  <CAS> (413)
1234480-84-2

>  <URL> (413)
http://selleckchem.com/products/lrrk2-in-1.html

$$$$
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>  <Synonyms> (414)
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>  <Form> (414)
free base

>  <CAS> (414)
1221713-92-3

>  <URL> (414)
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>  <Mol_ID> (415)
439

>  <Formula> (415)
C26H32ClN2O8PS

>  <MolWeight> (415)
599.032641

>  <Cat> (415)
S7423

>  <Name> (415)
KN-93 Phosphate

>  <Synonyms> (415)
N/A

>  <Target> (415)
Autophagy,CaMK

>  <Form> (415)
Phosphate

>  <CAS> (415)
1188890-41-6

>  <URL> (415)
http://selleckchem.com/products/kn-93-phosphate.html

$$$$
GDC0623.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (416)
440

>  <Formula> (416)
C16H14FIN4O3

>  <MolWeight> (416)
456.2102332

>  <Cat> (416)
S7553

>  <Name> (416)
GDC-0623

>  <Synonyms> (416)
G-868

>  <Target> (416)
MEK

>  <Form> (416)
free base

>  <CAS> (416)
1168091-68-6

>  <URL> (416)
http://selleckchem.com/products/gdc-0623.html

$$$$
AZD8186.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (417)
442

>  <Formula> (417)
C24H25F2N3O4

>  <MolWeight> (417)
457.4698064

>  <Cat> (417)
S7694

>  <Name> (417)
AZD8186

>  <Synonyms> (417)
N/A

>  <Target> (417)
PI3K

>  <Form> (417)
free base

>  <CAS> (417)
1627494-13-6

>  <URL> (417)
http://selleckchem.com/products/azd8186.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/02252511162D

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M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (418)
443

>  <Formula> (418)
C18H23N5NaO8P

>  <MolWeight> (418)
491.367451

>  <Cat> (418)
S7858

>  <Name> (418)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (418)
dbcAMP

>  <Target> (418)
PDE,PKA

>  <Form> (418)
sodium salt

>  <CAS> (418)
16980-89-5

>  <URL> (418)
http://selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/02252511162D

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    2.9401    3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (419)
444

>  <Formula> (419)
C10H10BrN5NaO6P

>  <MolWeight> (419)
430.083831

>  <Cat> (419)
S7857

>  <Name> (419)
8-Bromo-cAMP

>  <Synonyms> (419)
8-Br-Camp,8-Bromo-cAMP Sodium

>  <Target> (419)
PKA

>  <Form> (419)
sodium salt

>  <CAS> (419)
76939-46-3

>  <URL> (419)
http://selleckchem.com/products/8-bromo-camp.html

$$$$
FLLL32.cdx
csChFnd80/02252511162D

 34 36  0  0  0  0  0  0  0  0999 V2000
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 12  2  0  0  0  0
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 13 14  1  0  0  0  0
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 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (420)
445

>  <Formula> (420)
C28H32O6

>  <MolWeight> (420)
464.55008

>  <Cat> (420)
S7259

>  <Name> (420)
FLLL32

>  <Synonyms> (420)
N/A

>  <Target> (420)
IFN,Interleukins,JAK

>  <Form> (420)
free base

>  <CAS> (420)
1226895-15-3

>  <URL> (420)
http://selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/02252511162D

 40 43  0  0  0  0  0  0  0  0999 V2000
    4.8418    4.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2667    4.8979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2686    3.4931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6941    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6923    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747    5.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6333    2.7977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6333    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8418    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4229    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4229    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4709    7.0097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6815    7.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1704    7.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  3  1  0  0  0  0
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 16 31  1  6  0  0  0
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 22 33  2  0  0  0  0
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 13 40  1  1  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (421)
446

>  <Formula> (421)
C26H44NNaO6S

>  <MolWeight> (421)
521.68543

>  <Cat> (421)
S7896

>  <Name> (421)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (421)
N/A

>  <Target> (421)
Anti-infection

>  <Form> (421)
sodium salt

>  <CAS> (421)
35807-85-3

>  <URL> (421)
http://selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/02252511162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    9.7513    6.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1162    6.4788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7236    7.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1162    9.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (422)
447

>  <Formula> (422)
C24H28N8O2

>  <MolWeight> (422)
460.53152

>  <Cat> (422)
S7103

>  <Name> (422)
Taselisib (GDC 0032)

>  <Synonyms> (422)
RG7604

>  <Target> (422)
PI3K

>  <Form> (422)
free base

>  <CAS> (422)
1282512-48-4

>  <URL> (422)
http://selleckchem.com/products/gdc-0032.html

$$$$
ONO-4059.cdx
csChFnd80/02252511162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (423)
448

>  <Formula> (423)
C25H24N6O3

>  <MolWeight> (423)
456.49646

>  <Cat> (423)
S7877

>  <Name> (423)
ONO-4059 analogue

>  <Synonyms> (423)
ONO-WG-307

>  <Target> (423)
BTK

>  <Form> (423)
free base

>  <CAS> (423)
1351635-67-0

>  <URL> (423)
http://selleckchem.com/products/ono-4059.html

$$$$
SBI-0206965.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (424)
449

>  <Formula> (424)
C21H21BrN4O5

>  <MolWeight> (424)
489.31924

>  <Cat> (424)
S7885

>  <Name> (424)
SBI-0206965

>  <Synonyms> (424)
N/A

>  <Target> (424)
Apoptosis related,Autophagy,ULK

>  <Form> (424)
free base

>  <CAS> (424)
1884220-36-3

>  <URL> (424)
http://selleckchem.com/products/sbi-0206965.html

$$$$
MCB-613.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (425)
450

>  <Formula> (425)
C20H20N2O

>  <MolWeight> (425)
304.3856

>  <Cat> (425)
S7913

>  <Name> (425)
MCB-613

>  <Synonyms> (425)
N/A

>  <Target> (425)
ROS

>  <Form> (425)
free base

>  <CAS> (425)
1162656-22-5

>  <URL> (425)
http://selleckchem.com/products/mcb-613.html

$$$$
SB239063.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (426)
451

>  <Formula> (426)
C20H21FN4O2

>  <MolWeight> (426)
368.4047432

>  <Cat> (426)
S7741

>  <Name> (426)
SB239063

>  <Synonyms> (426)
N/A

>  <Target> (426)
p38 MAPK

>  <Form> (426)
free base

>  <CAS> (426)
193551-21-2

>  <URL> (426)
http://selleckchem.com/products/sb239063.html

$$$$
AZD6738.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (427)
452

>  <Formula> (427)
C20H24N6O2S

>  <MolWeight> (427)
412.50856

>  <Cat> (427)
S7693

>  <Name> (427)
Ceralasertib (AZD6738)

>  <Synonyms> (427)
N/A

>  <Target> (427)
ATM/ATR

>  <Form> (427)
free base

>  <CAS> (427)
1352226-88-0

>  <URL> (427)
http://selleckchem.com/products/azd6738.html

$$$$
DDR1-IN-1.cdx
csChFnd80/02252511162D

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  9 16  2  0  0  0  0
 14 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
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  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
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 35 36  2  0  0  0  0
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 39 35  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (428)
453

>  <Formula> (428)
C30H31F3N4O3

>  <MolWeight> (428)
552.5873496

>  <Cat> (428)
S7498

>  <Name> (428)
DDR1-IN-1

>  <Synonyms> (428)
N/A

>  <Target> (428)
DDR

>  <Form> (428)
free base

>  <CAS> (428)
1449685-96-4

>  <URL> (428)
http://selleckchem.com/products/ddr1-in-1.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
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  6  8  1  0  0  0  0
  7 12  2  0  0  0  0
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 10 13  2  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (429)
454

>  <Formula> (429)
C17H16N2O3

>  <MolWeight> (429)
296.32054

>  <Cat> (429)
S7667

>  <Name> (429)
SU5402

>  <Synonyms> (429)
N/A

>  <Target> (429)
FGFR,PDGFR,VEGFR

>  <Form> (429)
free base

>  <CAS> (429)
215543-92-3

>  <URL> (429)
http://selleckchem.com/products/su5402.html

$$$$
UNC2025.cdx
csChFnd80/02252511162D

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    9.7244    1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  15 BOND_GSTEREO 5
M  CFW  38 BOND_GSTEREO 4
M  END
>  <Mol_ID> (430)
455

>  <Formula> (430)
C28H41ClN6O

>  <MolWeight> (430)
513.11774

>  <Cat> (430)
S7576

>  <Name> (430)
UNC2025 HCl

>  <Synonyms> (430)
UNC2025 hydrochloride

>  <Target> (430)
Axl,FLT3,Mertk,Tyro3

>  <Form> (430)
hydrochloride salt

>  <CAS> (430)
2070015-17-5

>  <URL> (430)
http://selleckchem.com/products/unc-2025.html

$$$$
ONC201.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (431)
456

>  <Formula> (431)
C24H26N4O

>  <MolWeight> (431)
386.48944

>  <Cat> (431)
S7963

>  <Name> (431)
TIC10 (ONC201)

>  <Synonyms> (431)
ONC201

>  <Target> (431)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (431)
free base

>  <CAS> (431)
1616632-77-9

>  <URL> (431)
http://selleckchem.com/products/tic-10.html

$$$$
Akti-1.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (432)
457

>  <Formula> (432)
C34H29N7O

>  <MolWeight> (432)
551.64036

>  <Cat> (432)
S7776

>  <Name> (432)
Akti-1/2

>  <Synonyms> (432)
Akt Inhibitor VIII

>  <Target> (432)
Akt,Apoptosis related

>  <Form> (432)
free base

>  <CAS> (432)
612847-09-3

>  <URL> (432)
http://selleckchem.com/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (433)
458

>  <Formula> (433)
C18H12BrN3O3

>  <MolWeight> (433)
398.21018

>  <Cat> (433)
S7915

>  <Name> (433)
BIO-acetoxime

>  <Synonyms> (433)
GSK-3 Inhibitor X

>  <Target> (433)
GSK-3

>  <Form> (433)
free base

>  <CAS> (433)
667463-85-6

>  <URL> (433)
http://selleckchem.com/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (434)
459

>  <Formula> (434)
C21H16FN7

>  <MolWeight> (434)
385.3970432

>  <Cat> (434)
S7813

>  <Name> (434)
AMG319

>  <Synonyms> (434)
N/A

>  <Target> (434)
PI3K

>  <Form> (434)
free base

>  <CAS> (434)
1608125-21-8

>  <URL> (434)
http://selleckchem.com/products/amg319.html

$$$$
AZD3264.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (435)
460

>  <Formula> (435)
C21H23N5O4S

>  <MolWeight> (435)
441.50342

>  <Cat> (435)
S7851

>  <Name> (435)
AZD3264

>  <Synonyms> (435)
N/A

>  <Target> (435)
I¦ÊB/IKK

>  <Form> (435)
free base

>  <CAS> (435)
1609281-86-8

>  <URL> (435)
http://selleckchem.com/products/azd3264.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (436)
461

>  <Formula> (436)
C17H15N9

>  <MolWeight> (436)
345.3613

>  <Cat> (436)
S7674

>  <Name> (436)
Savolitinib (AZD6094)

>  <Synonyms> (436)
HMPL-504, Volitinib

>  <Target> (436)
c-Met

>  <Form> (436)
free base

>  <CAS> (436)
1313725-88-0

>  <URL> (436)
http://selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/02252511162D

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   10.9042    2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (437)
462

>  <Formula> (437)
C18H24O

>  <MolWeight> (437)
256.38256

>  <Cat> (437)
S3813

>  <Name> (437)
Bakuchiol

>  <Synonyms> (437)
(S)-(+)-Bakuchiol

>  <Target> (437)
Immunology & Inflammation related

>  <Form> (437)
free base

>  <CAS> (437)
10309-37-2

>  <URL> (437)
http://selleckchem.com/products/bakuchiol.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (438)
464

>  <Formula> (438)
C15H11ClN2OS

>  <MolWeight> (438)
302.77864

>  <Cat> (438)
S7176

>  <Name> (438)
SKI II

>  <Synonyms> (438)
SphK-I2

>  <Target> (438)
SPHK

>  <Form> (438)
free base

>  <CAS> (438)
312636-16-1

>  <URL> (438)
http://selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (439)
465

>  <Formula> (439)
C17H15BrF2N4O3

>  <MolWeight> (439)
441.2268064

>  <Cat> (439)
S7007

>  <Name> (439)
Binimetinib (MEK162)

>  <Synonyms> (439)
ARRY-162,ARRY-438162

>  <Target> (439)
Apoptosis related,Autophagy,MEK

>  <Form> (439)
free base

>  <CAS> (439)
606143-89-9

>  <URL> (439)
http://selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (440)
466

>  <Formula> (440)
C25H34N8O

>  <MolWeight> (440)
462.59046

>  <Cat> (440)
S7087

>  <Name> (440)
GSK2334470

>  <Synonyms> (440)
N/A

>  <Target> (440)
PDPK1

>  <Form> (440)
free base

>  <CAS> (440)
1227911-45-6

>  <URL> (440)
http://selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/02252511162D

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 13  8  1  0  0  0  0
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>  <Mol_ID> (441)
467

>  <Formula> (441)
C24H26N4O

>  <MolWeight> (441)
386.48944

>  <Cat> (441)
S7127

>  <Name> (441)
TIC10 Analogue

>  <Target> (441)
Akt

>  <Form> (441)
free base

>  <CAS> (441)
41276-02-2

>  <URL> (441)
http://selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (442)
468

>  <Formula> (442)
C16H10BrN3O2

>  <MolWeight> (442)
356.1735

>  <Cat> (442)
S7198

>  <Name> (442)
BIO

>  <Synonyms> (442)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (442)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (442)
free base

>  <CAS> (442)
667463-62-9

>  <URL> (442)
http://selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (443)
469

>  <Formula> (443)
C17H13N5

>  <MolWeight> (443)
287.31862

>  <Cat> (443)
S7223

>  <Name> (443)
RepSox (E-616452)

>  <Synonyms> (443)
SJN 2511,ALK5 Inhibitor II

>  <Target> (443)
TGF-beta/Smad

>  <Form> (443)
free base

>  <CAS> (443)
446859-33-2

>  <URL> (443)
http://selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (444)
470

>  <Formula> (444)
C21H23N7O3S

>  <MolWeight> (444)
453.51742

>  <Cat> (444)
S7253

>  <Name> (444)
AZD2858

>  <Synonyms> (444)
N/A

>  <Target> (444)
GSK-3

>  <Form> (444)
free base

>  <CAS> (444)
486424-20-8

>  <URL> (444)
http://selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (445)
471

>  <Formula> (445)
C23H26ClNO

>  <MolWeight> (445)
367.91164

>  <Cat> (445)
S8004

>  <Name> (445)
ZM 39923 HCl

>  <Synonyms> (445)
N/A

>  <Target> (445)
JAK

>  <Form> (445)
HCl

>  <CAS> (445)
1021868-92-7

>  <URL> (445)
http://selleckchem.com/products/zm-39923-hcl.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (446)
472

>  <Formula> (446)
C26H27N5O5S2

>  <MolWeight> (446)
553.65308

>  <Cat> (446)
S7207

>  <Name> (446)
Bisindolylmaleimide IX (Ro 31-8220 Mesylate)

>  <Synonyms> (446)
Bisindolylmaleimide IX Mesylate

>  <Target> (446)
PKC

>  <Form> (446)
Mesylate

>  <CAS> (446)
138489-18-6

>  <URL> (446)
http://selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
CZC24832.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (447)
473

>  <Formula> (447)
C15H17FN6O2S

>  <MolWeight> (447)
364.3978832

>  <Cat> (447)
S7018

>  <Name> (447)
CZC24832

>  <Synonyms> (447)
N/A

>  <Target> (447)
PI3K

>  <Form> (447)
free base

>  <CAS> (447)
1159824-67-5

>  <URL> (447)
http://selleckchem.com/products/czc24832.html

$$$$
SRPIN340.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (448)
474

>  <Formula> (448)
C18H18F3N3O

>  <MolWeight> (448)
349.3502296

>  <Cat> (448)
S7270

>  <Name> (448)
SRPIN340

>  <Synonyms> (448)
N/A

>  <Target> (448)
Serine/threonin kinase

>  <Form> (448)
free base

>  <CAS> (448)
218156-96-8

>  <URL> (448)
http://selleckchem.com/products/srpin340.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (449)
475

>  <Formula> (449)
C27H28F3N7O3

>  <MolWeight> (449)
555.5515296

>  <Cat> (449)
S7284

>  <Name> (449)
Rociletinib (CO-1686)

>  <Synonyms> (449)
AVL-301

>  <Target> (449)
EGFR

>  <Form> (449)
free base

>  <CAS> (449)
1374640-70-6

>  <URL> (449)
http://selleckchem.com/products/co-1686.html

$$$$
EHop-016.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (450)
476

>  <Formula> (450)
C25H30N6O

>  <MolWeight> (450)
430.5453

>  <Cat> (450)
S7319

>  <Name> (450)
EHop-016

>  <Synonyms> (450)
N/A

>  <Target> (450)
Rho

>  <Form> (450)
free base

>  <CAS> (450)
1380432-32-5

>  <URL> (450)
http://selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (451)
477

>  <Formula> (451)
C24H21F2NO4

>  <MolWeight> (451)
425.4246464

>  <Cat> (451)
S7214

>  <Name> (451)
Skepinone-L

>  <Synonyms> (451)
CBS3830

>  <Target> (451)
p38 MAPK

>  <Form> (451)
free base

>  <CAS> (451)
1221485-83-1

>  <URL> (451)
http://selleckchem.com/products/skepinone-l.html

$$$$
XL019.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (452)
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>  <Synonyms> (452)
N/A

>  <Target> (452)
JAK

>  <Form> (452)
free base

>  <CAS> (452)
945755-56-6

>  <URL> (452)
http://selleckchem.com/products/xl019.html

$$$$
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csChFnd80/02252511162D

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C18H15N2NaO4

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346.31247

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S7167

>  <Name> (453)
SSR128129E

>  <Synonyms> (453)
SSR

>  <Target> (453)
FGFR

>  <Form> (453)
free base

>  <CAS> (453)
848318-25-2

>  <URL> (453)
http://selleckchem.com/products/ssr128129e.html

$$$$
GSK2606414.cdx
csChFnd80/02252511162D

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481

>  <Formula> (454)
C24H20F3N5O

>  <MolWeight> (454)
451.4437096

>  <Cat> (454)
S7307

>  <Name> (454)
GSK2606414

>  <Synonyms> (454)
N/A

>  <Target> (454)
Apoptosis related,Autophagy,PERK

>  <Form> (454)
free base

>  <CAS> (454)
1337531-36-8

>  <URL> (454)
http://selleckchem.com/products/gsk2606414.html

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ZCL 278.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (455)
482

>  <Formula> (455)
C21H19BrClN5O4S2

>  <MolWeight> (455)
584.89366

>  <Cat> (455)
S7293

>  <Name> (455)
ZCL278

>  <Synonyms> (455)
N/A

>  <Target> (455)
Rho

>  <Form> (455)
free base

>  <CAS> (455)
587841-73-4

>  <URL> (455)
http://selleckchem.com/products/zcl278.html

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>  <Formula> (456)
C22H22FN5O3

>  <MolWeight> (456)
423.4401832

>  <Cat> (456)
S7173

>  <Name> (456)
Spebrutinib (CC-292)

>  <Synonyms> (456)
AVL-292

>  <Target> (456)
BTK

>  <Form> (456)
free base

>  <CAS> (456)
1202757-89-8

>  <URL> (456)
http://selleckchem.com/products/avl-292.html

$$$$
AZ191.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (457)
484

>  <Formula> (457)
C24H27N7O

>  <MolWeight> (457)
429.51748

>  <Cat> (457)
S7338

>  <Name> (457)
AZ191

>  <Synonyms> (457)
N/A

>  <Target> (457)
DYRK

>  <Form> (457)
free base

>  <CAS> (457)
1594092-37-1

>  <URL> (457)
http://selleckchem.com/products/az191.html

$$$$
Sorafenib.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (458)
485

>  <Formula> (458)
C21H16ClF3N4O3

>  <MolWeight> (458)
464.8249496

>  <Cat> (458)
S7397

>  <Name> (458)
Sorafenib (BAY 43-9006)

>  <Synonyms> (458)
NSC-724772,BAY 43-9006

>  <Target> (458)
Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR

>  <Form> (458)
Free Base

>  <CAS> (458)
284461-73-0

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

$$$$
PF-562271.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (459)
486

>  <Formula> (459)
C21H21ClF3N7O3S

>  <MolWeight> (459)
543.9497496

>  <Cat> (459)
S7357

>  <Name> (459)
PF-562271 HCl

>  <Synonyms> (459)
N/A

>  <Target> (459)
CDK,FAK,Pyk2

>  <Form> (459)
Hydrochloride

>  <CAS> (459)
939791-41-0

>  <URL> (459)
http://selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
csChFnd80/02252511162D

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487

>  <Formula> (460)
C13H15NO2S

>  <MolWeight> (460)
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>  <Cat> (460)
S7320

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TG003

>  <Synonyms> (460)
N/A

>  <Target> (460)
CDK

>  <Form> (460)
free base

>  <CAS> (460)
300801-52-9

>  <URL> (460)
http://selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
csChFnd80/02252511162D

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AMPK

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free base

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1214265-58-3

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free base

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14003-96-4

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AZ20.cdx
csChFnd80/02252511162D

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N/A

>  <Target> (465)
BTK

>  <Form> (465)
free base

>  <CAS> (465)
1202759-32-7

>  <URL> (465)
http://selleckchem.com/products/cnx-774.html

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>  <Synonyms> (466)
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>  <Target> (466)
ATM/ATR

>  <Form> (466)
free base

>  <CAS> (466)
1232416-25-9

>  <URL> (466)
http://selleckchem.com/products/ve-822.html

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>  <MolWeight> (467)
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AR-A014418

>  <Synonyms> (467)
GSK-3¦Â Inhibitor VIII

>  <Target> (467)
GSK-3

>  <Form> (467)
free base

>  <CAS> (467)
487021-52-3

>  <URL> (467)
http://selleckchem.com/products/A014418.html

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N/A

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TGF-beta/Smad

>  <Form> (468)
free base

>  <CAS> (468)
1431985-92-0

>  <URL> (468)
http://selleckchem.com/products/k02288.html

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>  <Synonyms> (469)
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>  <Target> (469)
Apoptosis related,Autophagy,PERK

>  <Form> (469)
free base

>  <CAS> (469)
1337532-29-2

>  <URL> (469)
http://selleckchem.com/products/gsk2656157.html

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>  <MolWeight> (470)
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MK-8745

>  <Synonyms> (470)
N/A

>  <Target> (470)
Aurora Kinase

>  <Form> (470)
free base

>  <CAS> (470)
885325-71-3

>  <URL> (470)
http://selleckchem.com/products/mk-8745.html

$$$$
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csChFnd80/02252511162D

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498

>  <Formula> (471)
C18H12Cl2N4O4S

>  <MolWeight> (471)
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>  <Cat> (471)
S7369

>  <Name> (471)
4EGI-1

>  <Synonyms> (471)
N/A

>  <Target> (471)
Apoptosis related,eIF,mTOR

>  <Form> (471)
free base

>  <CAS> (471)
315706-13-9

>  <URL> (471)
http://selleckchem.com/products/4egi-1.html

$$$$
LEE011-2.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (472)
499

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C23H30N8O

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Ribociclib (LEE011)

>  <Synonyms> (472)
N/A

>  <Target> (472)
CDK

>  <Form> (472)
free base

>  <CAS> (472)
1211441-98-3

>  <URL> (472)
http://selleckchem.com/products/lee011.html

$$$$
LM-3230 NH125.cdx
csChFnd80/02252511162D

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NH125

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N/A

>  <Target> (473)
CaMK

>  <Form> (473)
iodide

>  <CAS> (473)
278603-08-0

>  <URL> (473)
http://selleckchem.com/products/nh125.html

$$$$
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N/A

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eIF,PERK,phosphatase

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free base

>  <CAS> (474)
1164470-53-4

>  <URL> (474)
http://selleckchem.com/products/sal003.html

$$$$
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csChFnd80/02252511162D

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C13H12N4O2S2

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S7258

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SKLB1002

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N/A

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VEGFR

>  <Form> (475)
free base

>  <CAS> (475)
1225451-84-2

>  <URL> (475)
http://selleckchem.com/products/sklb1002.html

$$$$
1-Azakenpaullone.cdx
csChFnd80/02252511162D

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503

>  <Formula> (476)
C15H10BrN3O

>  <MolWeight> (476)
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>  <Cat> (476)
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>  <Name> (476)
1-Azakenpaullone

>  <Synonyms> (476)
1-Akp

>  <Target> (476)
GSK-3

>  <Form> (476)
free base

>  <CAS> (476)
676596-65-9

>  <URL> (476)
http://selleckchem.com/products/1-azakenpaullone.html

$$$$
4E1RCat.cdx
csChFnd80/02252511162D

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504

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eIF

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free base

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328998-25-0

>  <URL> (477)
http://selleckchem.com/products/4e1rcat.html

$$$$
AZD7545.cdx
csChFnd80/02252511162D

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N/A

>  <Target> (478)
PDHK

>  <Form> (478)
free base

>  <CAS> (478)
252017-04-2

>  <URL> (478)
http://selleckchem.com/products/azd7545.html

$$$$
ML167.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (479)
506

>  <Formula> (479)
C19H17N3O3

>  <MolWeight> (479)
335.35658

>  <Cat> (479)
S7509

>  <Name> (479)
ML167

>  <Synonyms> (479)
CID 44968231

>  <Target> (479)
CDK

>  <Form> (479)
free base

>  <CAS> (479)
1285702-20-6

>  <URL> (479)
http://selleckchem.com/products/ml167.html

$$$$
ML347.cdx
csChFnd80/02252511162D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (480)
507

>  <Formula> (480)
C22H16N4O

>  <MolWeight> (480)
352.38864

>  <Cat> (480)
S7148

>  <Name> (480)
ML347

>  <Synonyms> (480)
LDN-193719

>  <Target> (480)
TGF-beta/Smad

>  <Form> (480)
free base

>  <CAS> (480)
1062368-49-3

>  <URL> (480)
http://selleckchem.com/products/ml347.html

$$$$
GS-9973.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (481)
508

>  <Formula> (481)
C23H21N7O

>  <MolWeight> (481)
411.45914

>  <Cat> (481)
S7523

>  <Name> (481)
Entospletinib (GS-9973)

>  <Synonyms> (481)
N/A

>  <Target> (481)
Syk

>  <Form> (481)
free base

>  <CAS> (481)
1229208-44-9

>  <URL> (481)
http://selleckchem.com/products/gs-9973.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (482)
509

>  <Formula> (482)
C17H22Cl2N2O3S

>  <MolWeight> (482)
405.33918

>  <Cat> (482)
S7333

>  <Name> (482)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (482)
N/A

>  <Target> (482)
Ras

>  <Form> (482)
free base

>  <CAS> (482)
2060530-16-5

>  <URL> (482)
http://selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
DMH1.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (483)
510

>  <Formula> (483)
C24H20N4O

>  <MolWeight> (483)
380.4418

>  <Cat> (483)
S7146

>  <Name> (483)
DMH1

>  <Synonyms> (483)
N/A

>  <Target> (483)
Autophagy,TGF-beta/Smad

>  <Form> (483)
free base

>  <CAS> (483)
1206711-16-1

>  <URL> (483)
http://selleckchem.com/products/dmh1.html

$$$$
LDN-212854.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (484)
511

>  <Formula> (484)
C25H22N6

>  <MolWeight> (484)
406.48238

>  <Cat> (484)
S7147

>  <Name> (484)
LDN-212854

>  <Synonyms> (484)
BMP Inhibitor III

>  <Target> (484)
TGF-beta/Smad

>  <Form> (484)
free base

>  <CAS> (484)
1432597-26-6

>  <URL> (484)
http://selleckchem.com/products/ldn-212854.html

$$$$
CGP 57380.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (485)
512

>  <Formula> (485)
C11H9FN6

>  <MolWeight> (485)
244.2277632

>  <Cat> (485)
S7421

>  <Name> (485)
CGP 57380

>  <Synonyms> (485)
N/A

>  <Target> (485)
Apoptosis related,MNK,Wnt/beta-catenin

>  <Form> (485)
free base

>  <CAS> (485)
522629-08-9

>  <URL> (485)
http://selleckchem.com/products/cgp57380.html

$$$$
LM-3093 AZD9291.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (486)
513

>  <Formula> (486)
C28H33N7O2

>  <MolWeight> (486)
499.60732

>  <Cat> (486)
S7297

>  <Name> (486)
Osimertinib (AZD9291)

>  <Synonyms> (486)
Mereletinib

>  <Target> (486)
EGFR

>  <Form> (486)
free base

>  <CAS> (486)
1421373-65-0

>  <URL> (486)
http://selleckchem.com/products/azd9291.html

$$$$
LM-3282 MPI-0479605.cdx
csChFnd80/02252511162D

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CaMK

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>  <URL> (489)
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M  END
>  <Mol_ID> (491)
518

>  <Formula> (491)
C21H18N4O4S

>  <MolWeight> (491)
422.45702

>  <Cat> (491)
S7356

>  <Name> (491)
HS-173

>  <Synonyms> (491)
N/A

>  <Target> (491)
PI3K

>  <Form> (491)
free base

>  <CAS> (491)
1276110-06-5

>  <URL> (491)
http://selleckchem.com/products/hs-173.html

$$$$
UNC2881.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (492)
521

>  <Formula> (492)
C25H33N7O2

>  <MolWeight> (492)
463.57522

>  <Cat> (492)
S7325

>  <Name> (492)
UNC2881

>  <Synonyms> (492)
N/A

>  <Target> (492)
Axl,Mertk,Tyro3

>  <Form> (492)
free base

>  <CAS> (492)
1493764-08-1

>  <URL> (492)
http://selleckchem.com/products/unc2881.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (493)
522

>  <Formula> (493)
C27H32ClNO4S

>  <MolWeight> (493)
502.06528

>  <Cat> (493)
S7177

>  <Name> (493)
PF-543 hydrochloride

>  <Synonyms> (493)
N/A

>  <Target> (493)
Apoptosis related,Autophagy,SPHK

>  <Form> (493)
hydrochloride

>  <CAS> (493)
1706522-79-3

>  <URL> (493)
http://selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (494)
523

>  <Formula> (494)
C21H21N3O2S

>  <MolWeight> (494)
379.47534

>  <Cat> (494)
S7104

>  <Name> (494)
AZD1208

>  <Synonyms> (494)
N/A

>  <Target> (494)
Apoptosis related,Autophagy,Pim

>  <Form> (494)
free base

>  <CAS> (494)
1204144-28-4

>  <URL> (494)
http://selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (495)
524

>  <Formula> (495)
C26H25Cl2N3O3

>  <MolWeight> (495)
498.401

>  <Cat> (495)
S7041

>  <Name> (495)
CX-6258 HCl

>  <Synonyms> (495)
N/A

>  <Target> (495)
Pim

>  <Form> (495)
Hydrochloride

>  <CAS> (495)
1353859-00-3

>  <URL> (495)
http://selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (496)
525

>  <Formula> (496)
C25H29Cl2F3N2O4S

>  <MolWeight> (496)
581.4749696

>  <Cat> (496)
S7482

>  <Name> (496)
EHT 1864 2HCl

>  <Synonyms> (496)
N/A

>  <Target> (496)
Rho

>  <Form> (496)
dihydrochloride

>  <CAS> (496)
754240-09-0

>  <URL> (496)
http://selleckchem.com/products/eht-1864.html

$$$$
LDC000067.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (497)
527

>  <Formula> (497)
C18H18N4O3S

>  <MolWeight> (497)
370.42552

>  <Cat> (497)
S7461

>  <Name> (497)
LDC000067

>  <Synonyms> (497)
LDC067

>  <Target> (497)
CDK

>  <Form> (497)
free base

>  <CAS> (497)
1073485-20-7

>  <URL> (497)
http://selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (498)
528

>  <Formula> (498)
C26H30N6O3

>  <MolWeight> (498)
474.5548

>  <Cat> (498)
S7525

>  <Name> (498)
XMD8-92

>  <Synonyms> (498)
N/A

>  <Target> (498)
Epigenetic Reader Domain,ERK

>  <Form> (498)
free base

>  <CAS> (498)
1234480-50-2

>  <URL> (498)
http://selleckchem.com/products/xmd8-92.html

$$$$
CGI1746 .cdx
csChFnd80/02252511162D

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BTK

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free base

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910232-84-7

>  <URL> (499)
http://selleckchem.com/products/cgi1746.html

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>  <Synonyms> (500)
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>  <Target> (500)
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>  <Form> (500)
free base

>  <CAS> (500)
898044-15-0

>  <URL> (500)
http://selleckchem.com/products/pf-3758309.html

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N/A

>  <Target> (501)
ERK

>  <Form> (501)
free base

>  <CAS> (501)
865362-74-9

>  <URL> (501)
http://selleckchem.com/products/fr180204.html

$$$$
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>  <Cat> (502)
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>  <Name> (502)
HO-3867

>  <Synonyms> (502)
N/A

>  <Target> (502)
Apoptosis related,STAT

>  <Form> (502)
free base

>  <CAS> (502)
1172133-28-6

>  <URL> (502)
http://selleckchem.com/products/ho-3867.html

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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 18  1  0  0  0  0
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  8 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (503)
533

>  <Formula> (503)
C19H21F4N5O3

>  <MolWeight> (503)
443.3953528

>  <Cat> (503)
S7528

>  <Name> (503)
GNE-7915

>  <Synonyms> (503)
N/A

>  <Target> (503)
LRRK2

>  <Form> (503)
free base

>  <CAS> (503)
1351761-44-8

>  <URL> (503)
http://selleckchem.com/products/gne-7915.html

$$$$
PD173955 .cdx
csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1 26  2  0  0  0  0
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M  END
>  <Mol_ID> (504)
534

>  <Formula> (504)
C21H18Cl2N4OS

>  <MolWeight> (504)
445.36482

>  <Cat> (504)
S7269

>  <Name> (504)
PD173955

>  <Synonyms> (504)
N/A

>  <Target> (504)
Bcr-Abl

>  <Form> (504)
free base

>  <CAS> (504)
260415-63-2

>  <URL> (504)
http://selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/02252511162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    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> (505)
535

>  <Formula> (505)
C16H21ClIN3O4S

>  <MolWeight> (505)
513.77811

>  <Cat> (505)
S7332

>  <Name> (505)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (505)
N/A

>  <Target> (505)
Ras

>  <Form> (505)
free base

>  <CAS> (505)
1469337-91-4

>  <URL> (505)
http://selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
SH-4-54.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (506)
536

>  <Formula> (506)
C29H27F5N2O5S

>  <MolWeight> (506)
610.592096

>  <Cat> (506)
S7337

>  <Name> (506)
SH-4-54

>  <Synonyms> (506)
N/A

>  <Target> (506)
STAT

>  <Form> (506)
free base

>  <CAS> (506)
1456632-40-8

>  <URL> (506)
http://selleckchem.com/products/sh-4-54.html

$$$$
Zotarolimus.cdx
csChFnd80/02252511162D

 70 74  0  0  0  0  0  0  0  0999 V2000
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   12.5658    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7783    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9907    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4415    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6534    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  6 17  1  0  0  0  0
  6 18  1  1  0  0  0
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 15 22  1  0  0  0  0
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 39 51  1  0  0  0  0
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 51 52  1  6  0  0  0
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 55 56  1  0  0  0  0
 57 56  1  1  0  0  0
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 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
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M  END
>  <Mol_ID> (507)
537

>  <Formula> (507)
C52H79N5O12

>  <MolWeight> (507)
966.20996

>  <Cat> (507)
S7091

>  <Name> (507)
Zotarolimus (ABT-578)

>  <Synonyms> (507)
A 179578

>  <Target> (507)
FKBP,mTOR

>  <Form> (507)
free base

>  <CAS> (507)
221877-54-9

>  <URL> (507)
http://selleckchem.com/products/zotarolimus-abt-578.html

$$$$
WH-4-023.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (508)
539

>  <Formula> (508)
C32H36N6O4

>  <MolWeight> (508)
568.66604

>  <Cat> (508)
S7565

>  <Name> (508)
WH-4-023

>  <Synonyms> (508)
KIN001-112, KIN112, Dual LCK/SRC inhibitor

>  <Target> (508)
SIK,Src

>  <Form> (508)
free base

>  <CAS> (508)
837422-57-8

>  <URL> (508)
http://selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    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
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 10  2  1  0  0  0  0
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 14  6  1  0  0  0  0
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 12 17  1  0  0  0  0
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 18 20  2  0  0  0  0
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 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (509)
540

>  <Formula> (509)
C19H17NO3

>  <MolWeight> (509)
307.34318

>  <Cat> (509)
S7310

>  <Name> (509)
SF1670

>  <Synonyms> (509)
N/A

>  <Target> (509)
PTEN

>  <Form> (509)
free base

>  <CAS> (509)
345630-40-2

>  <URL> (509)
http://selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    4.8171    3.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5433    4.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Cat> (510)
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free base

>  <CAS> (510)
1129669-05-1

>  <URL> (510)
http://selleckchem.com/products/im-12.html

$$$$
deltarasin.cdx
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>  <Formula> (511)
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>  <MolWeight> (511)
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>  <Cat> (511)
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>  <Name> (511)
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>  <Synonyms> (511)
N/A

>  <Target> (511)
PDE,Ras

>  <Form> (511)
free base

>  <CAS> (511)
1440898-61-2

>  <URL> (511)
http://selleckchem.com/products/deltarasin.html

$$$$
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>  <Formula> (512)
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>  <MolWeight> (512)
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>  <Cat> (512)
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>  <Name> (512)
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>  <Synonyms> (512)
N/A

>  <Target> (512)
Ras

>  <Form> (512)
free base

>  <CAS> (512)
2061344-88-3

>  <URL> (512)
http://selleckchem.com/products/6h05.html

$$$$
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    0.3654    6.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  7  1  0  0  0  0
 22 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 17  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (513)
544

>  <Formula> (513)
C24H27F3N8O3

>  <MolWeight> (513)
532.5181896

>  <Cat> (513)
S7255

>  <Name> (513)
Onvansertib (NMS-P937)

>  <Synonyms> (513)
PCM-075, NMS1286937

>  <Target> (513)
Apoptosis related,PLK

>  <Form> (513)
free base

>  <CAS> (513)
1034616-18-6

>  <URL> (513)
http://selleckchem.com/products/nms-p937-nms1286937.html

$$$$
GNE-9605.cdx
csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.5868   11.7866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5868   10.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7992    9.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0117   10.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0117   11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7992   12.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2241   12.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4365   11.7866    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2241   13.8866    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4365   13.1866    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2241    9.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4365   10.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744    9.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744    8.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    7.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6744    6.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0744    6.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070    7.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    7.8964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8515    4.9996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4591    5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362    4.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    2.7344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980    2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4209    3.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8132    3.5743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    1.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 15 19  1  0  0  0  0
 20 16  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 25 26  1  1  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (514)
545

>  <Formula> (514)
C17H20ClF4N7O

>  <MolWeight> (514)
449.8336128

>  <Cat> (514)
S7368

>  <Name> (514)
GNE-9605

>  <Synonyms> (514)
N/A

>  <Target> (514)
LRRK2

>  <Form> (514)
free base

>  <CAS> (514)
1536200-31-3

>  <URL> (514)
http://selleckchem.com/products/gne-9605.html

$$$$
filgotinib.cdx
csChFnd80/02252511162D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (515)
546

>  <Formula> (515)
C21H23N5O3S

>  <MolWeight> (515)
425.50402

>  <Cat> (515)
S7605

>  <Name> (515)
Filgotinib (GLPG0634)

>  <Synonyms> (515)
N/A

>  <Target> (515)
JAK

>  <Form> (515)
free base

>  <CAS> (515)
1206161-97-8

>  <URL> (515)
http://selleckchem.com/products/filgotinib.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/02252511162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (516)
547

>  <Formula> (516)
C15H17ClIN3O3

>  <MolWeight> (516)
449.67125

>  <Cat> (516)
S7331

>  <Name> (516)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (516)
N/A

>  <Target> (516)
Ras

>  <Form> (516)
free base

>  <CAS> (516)
1469337-95-8

>  <URL> (516)
http://selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
Anacardic Acid.cdx
csChFnd80/02252511162D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (517)
548

>  <Formula> (517)
C22H36O3

>  <MolWeight> (517)
348.51944

>  <Cat> (517)
S7582

>  <Name> (517)
Anacardic Acid

>  <Synonyms> (517)
6-pentadecylsalicylic Acid

>  <Target> (517)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (517)
free base

>  <CAS> (517)
16611-84-0

>  <URL> (517)
http://selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/02252511162D

 39 43  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (518)
549

>  <Formula> (518)
C28H21F4N5O2

>  <MolWeight> (518)
535.4922528

>  <Cat> (518)
S7519

>  <Name> (518)
GNF-5837

>  <Synonyms> (518)
N/A

>  <Target> (518)
Trk receptor

>  <Form> (518)
free base

>  <CAS> (518)
1033769-28-6

>  <URL> (518)
http://selleckchem.com/products/gnf-5837.html

$$$$
WS6 .cdx
csChFnd80/02252511162D

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>  <Mol_ID> (519)
550

>  <Formula> (519)
C29H31F3N6O3

>  <MolWeight> (519)
568.5900496

>  <Cat> (519)
S7442

>  <Name> (519)
WS6

>  <Synonyms> (519)
N/A

>  <Target> (519)
I¦ÊB/IKK

>  <Form> (519)
free base

>  <CAS> (519)
1421227-53-3

>  <URL> (519)
http://selleckchem.com/products/ws6.html

$$$$
LY2874455.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (520)
551

>  <Formula> (520)
C21H19Cl2N5O2

>  <MolWeight> (520)
444.31386

>  <Cat> (520)
S7057

>  <Name> (520)
LY2874455

>  <Synonyms> (520)
N/A

>  <Target> (520)
FGFR,VEGFR

>  <Form> (520)
free base

>  <CAS> (520)
1254473-64-7

>  <URL> (520)
http://selleckchem.com/products/ly2874455.html

$$$$
URMC-099.cdx
csChFnd80/02252511162D

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N/A

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Autophagy,Bcr-Abl,LRRK2,Mixed Lineage Kinase

>  <Form> (521)
free base

>  <CAS> (521)
1229582-33-5

>  <URL> (521)
http://selleckchem.com/products/urmc-099.html

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GSK650394

>  <Synonyms> (522)
N/A

>  <Target> (522)
SGK

>  <Form> (522)
free base

>  <CAS> (522)
890842-28-1

>  <URL> (522)
http://selleckchem.com/products/gsk650394.html

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G-749

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N/A

>  <Target> (523)
FLT3

>  <Form> (523)
free base

>  <CAS> (523)
1457983-28-6

>  <URL> (523)
http://selleckchem.com/products/g-749.html

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1352608-82-2

>  <URL> (524)
http://selleckchem.com/products/ew-7197.html

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>  <Mol_ID> (529)
562

>  <Formula> (529)
C20H28ClN7O3S

>  <MolWeight> (529)
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>  <Cat> (529)
S7634

>  <Name> (529)
Cerdulatinib (PRT062070) hydrochloride

>  <Synonyms> (529)
PRT2070 hydrochloride

>  <Target> (529)
JAK,Syk

>  <Form> (529)
hydrochloride

>  <CAS> (529)
1369761-01-2

>  <URL> (529)
http://selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
CID755673.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (530)
563

>  <Formula> (530)
C12H11NO3

>  <MolWeight> (530)
217.22064

>  <Cat> (530)
S7188

>  <Name> (530)
CID755673

>  <Synonyms> (530)
N/A

>  <Target> (530)
CaMK,PKD

>  <Form> (530)
free base

>  <CAS> (530)
521937-07-5

>  <URL> (530)
http://selleckchem.com/products/cid755673.html

$$$$
DTP3.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (531)
565

>  <Formula> (531)
C26H35N7O5

>  <MolWeight> (531)
525.6

>  <Cat> (531)
S7637

>  <Name> (531)
DTP3

>  <Synonyms> (531)
N/A

>  <Target> (531)
DNA/RNA Synthesis,JNK,NF-¦ÊB

>  <Form> (531)
free base

>  <CAS> (531)
1809784-29-9

>  <URL> (531)
http://selleckchem.com/products/dtp3.html

$$$$
ML141.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (532)
567

>  <Formula> (532)
C22H21N3O3S

>  <MolWeight> (532)
407.48544

>  <Cat> (532)
S7686

>  <Name> (532)
ML141

>  <Synonyms> (532)
CID-2950007

>  <Target> (532)
Apoptosis related,p38 MAPK,Rho

>  <Form> (532)
free base

>  <CAS> (532)
71203-35-5

>  <URL> (532)
http://selleckchem.com/products/ml141.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/02252511162D

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    8.7682    5.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1505    5.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13  5  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 12  1  0  0  0  0
 10 17  1  6  0  0  0
 13 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 17  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 14 30  2  0  0  0  0
 12 31  1  6  0  0  0
 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (533)
568

>  <Formula> (533)
C22H22O8

>  <MolWeight> (533)
414.40528

>  <Cat> (533)
S7668

>  <Name> (533)
Picropodophyllin (PPP)

>  <Synonyms> (533)
AXL1717

>  <Target> (533)
Apoptosis related,IGF-1R

>  <Form> (533)
free base

>  <CAS> (533)
477-47-4

>  <URL> (533)
http://selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Reversine.cdx
csChFnd80/02252511162D

 29 33  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    2.5326    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
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 11 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 11  1  0  0  0  0
M  END
>  <Mol_ID> (534)
569

>  <Formula> (534)
C21H27N7O

>  <MolWeight> (534)
393.48538

>  <Cat> (534)
S7588

>  <Name> (534)
Reversine

>  <Synonyms> (534)
N/A

>  <Target> (534)
Adenosine Receptor,Aurora Kinase

>  <Form> (534)
free base

>  <CAS> (534)
656820-32-5

>  <URL> (534)
http://selleckchem.com/products/reversine.html

$$$$
SU 9516.cdx
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0041    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6138    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9832    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0237    3.2184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2361    3.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9450    5.2878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5527    5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  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 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
  8 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (535)
570

>  <Formula> (535)
C13H11N3O2

>  <MolWeight> (535)
241.24534

>  <Cat> (535)
S7636

>  <Name> (535)
SU9516

>  <Synonyms> (535)
N/A

>  <Target> (535)
CDK

>  <Form> (535)
free base

>  <CAS> (535)
377090-84-1

>  <URL> (535)
http://selleckchem.com/products/su9516.html

$$$$
Piperlongumine.cdx
csChFnd80/02252511162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 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
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    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  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
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
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 19 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 23  2  0  0  0  0
M  END
>  <Mol_ID> (536)
571

>  <Formula> (536)
C17H19NO5

>  <MolWeight> (536)
317.33646

>  <Cat> (536)
S7551

>  <Name> (536)
Piperlongumine

>  <Synonyms> (536)
PPLGM, Piplartine

>  <Target> (536)
CRM1,ROS

>  <Form> (536)
free base

>  <CAS> (536)
20069-09-4

>  <URL> (536)
http://selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.8579    5.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1911    4.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3233    3.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9901    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2574    5.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2571    2.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692    2.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6148    0.6668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611    0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 12 15  1  6  0  0  0
 15 16  1  0  0  0  0
 13 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 13  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (537)
572

>  <Formula> (537)
C17H16ClN3O

>  <MolWeight> (537)
313.78144

>  <Cat> (537)
S7563

>  <Name> (537)
AT13148

>  <Synonyms> (537)
N/A

>  <Target> (537)
Akt,PKA,ROCK,S6 Kinase

>  <Form> (537)
free base

>  <CAS> (537)
1056901-62-2

>  <URL> (537)
http://selleckchem.com/products/at13148.html

$$$$
PF-431396.cdx
csChFnd80/02252511162D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.1710    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (538)
573

>  <Formula> (538)
C22H21F3N6O3S

>  <MolWeight> (538)
506.5007496

>  <Cat> (538)
S7644

>  <Name> (538)
PF-431396

>  <Synonyms> (538)
N/A

>  <Target> (538)
FAK,Pyk2

>  <Form> (538)
free base

>  <CAS> (538)
717906-29-1

>  <URL> (538)
http://selleckchem.com/products/pf-431396.html

$$$$
PND-1186 (VS-471).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (539)
574

>  <Formula> (539)
C25H26F3N5O3

>  <MolWeight> (539)
501.5008496

>  <Cat> (539)
S7653

>  <Name> (539)
PND-1186 (VS-4718)

>  <Synonyms> (539)
SR-2156

>  <Target> (539)
Apoptosis related,FAK

>  <Form> (539)
free base

>  <CAS> (539)
1061353-68-1

>  <URL> (539)
http://selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
GSK2578215A.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (540)
575

>  <Formula> (540)
C24H18FN3O2

>  <MolWeight> (540)
399.4170232

>  <Cat> (540)
S7664

>  <Name> (540)
GSK2578215A

>  <Synonyms> (540)
N/A

>  <Target> (540)
LRRK2

>  <Form> (540)
free base

>  <CAS> (540)
1285515-21-0

>  <URL> (540)
http://selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (541)
576

>  <Formula> (541)
C23H21Cl2FN4O3

>  <MolWeight> (541)
491.3422432

>  <Cat> (541)
S7358

>  <Name> (541)
Poziotinib (HM781-36B)

>  <Synonyms> (541)
NOV120101

>  <Target> (541)
Apoptosis related,EGFR,HER2

>  <Form> (541)
free base

>  <CAS> (541)
1092364-38-9

>  <URL> (541)
http://selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
PI-3065.cdx
csChFnd80/02252511162D

 36 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (542)
577

>  <Formula> (542)
C27H31FN6OS

>  <MolWeight> (542)
506.6380432

>  <Cat> (542)
S7623

>  <Name> (542)
PI-3065

>  <Synonyms> (542)
N/A

>  <Target> (542)
PI3K

>  <Form> (542)
free base

>  <CAS> (542)
955977-50-1

>  <URL> (542)
http://selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (543)
578

>  <Formula> (543)
C24H28Cl2N2O4

>  <MolWeight> (543)
479.39612

>  <Cat> (543)
S7720

>  <Name> (543)
SBE 13 HCl

>  <Synonyms> (543)
N/A

>  <Target> (543)
PLK

>  <Form> (543)
hydrochloride

>  <CAS> (543)
1052532-15-6

>  <URL> (543)
http://selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (544)
579

>  <Formula> (544)
C9H9BrN2O3

>  <MolWeight> (544)
273.08336

>  <Cat> (544)
S7722

>  <Name> (544)
Bikinin

>  <Synonyms> (544)
N/A

>  <Target> (544)
GSK-3

>  <Form> (544)
free base

>  <CAS> (544)
188011-69-0

>  <URL> (544)
http://selleckchem.com/products/bikinin.html

$$$$
Salirasib.cdx
csChFnd80/02252511162D

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M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (545)
580

>  <Formula> (545)
C22H30O2S

>  <MolWeight> (545)
358.5374

>  <Cat> (545)
S7684

>  <Name> (545)
Salirasib

>  <Synonyms> (545)
Farnesylthiosalicylic acid, FTS

>  <Target> (545)
Autophagy,PPMTase,Ras

>  <Form> (545)
free base

>  <CAS> (545)
162520-00-5

>  <URL> (545)
http://selleckchem.com/products/salirasib.html

$$$$
SD208.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (546)
581

>  <Formula> (546)
C17H10ClFN6

>  <MolWeight> (546)
352.7529032

>  <Cat> (546)
S7624

>  <Name> (546)
SD-208

>  <Synonyms> (546)
N/A

>  <Target> (546)
TGF-beta/Smad

>  <Form> (546)
free base

>  <CAS> (546)
627536-09-8

>  <URL> (546)
http://selleckchem.com/products/sd-208.html

$$$$
CCG-1423.cdx
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free base

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285986-88-1

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http://selleckchem.com/products/ccg-1423.html

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free base

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1361030-48-9

>  <URL> (548)
http://selleckchem.com/products/ldc1267.html

$$$$
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LY2584702 Tosylate

>  <Synonyms> (549)
N/A

>  <Target> (549)
S6 Kinase

>  <Form> (549)
free base

>  <CAS> (549)
1082949-68-5

>  <URL> (549)
http://selleckchem.com/products/ly2584702-tosylate.html

$$$$
RN486.cdx
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M  END
>  <Mol_ID> (550)
586

>  <Formula> (550)
C35H35FN6O3

>  <MolWeight> (550)
606.6892032

>  <Cat> (550)
S7080

>  <Name> (550)
RN486

>  <Synonyms> (550)
N/A

>  <Target> (550)
BTK

>  <Form> (550)
free base

>  <CAS> (550)
1242156-23-5

>  <URL> (550)
http://selleckchem.com/products/rn486.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (551)
587

>  <Formula> (551)
C24H29FN6O5

>  <MolWeight> (551)
500.5226632

>  <Cat> (551)
S7765

>  <Name> (551)
Dovitinib (TKI258) Lactate monohydrate

>  <Synonyms> (551)
CHIR258

>  <Target> (551)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (551)
Lactate monohydrate

>  <CAS> (551)
915769-50-5 (monohydrate)

>  <URL> (551)
http://selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (552)
588

>  <Formula> (552)
C20H22N4O3S

>  <MolWeight> (552)
398.47868

>  <Cat> (552)
S7725

>  <Name> (552)
BLZ945

>  <Synonyms> (552)
Sotuletinib

>  <Target> (552)
CSF-1R

>  <Form> (552)
free base

>  <CAS> (552)
953769-46-5

>  <URL> (552)
http://selleckchem.com/products/blz945.html

$$$$
LY2090314.cdx
csChFnd80/02252511162D

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N/A

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GSK-3

>  <Form> (553)
free base

>  <CAS> (553)
603288-22-8

>  <URL> (553)
http://selleckchem.com/products/ly2090314.html

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Zoligratinib (Debio-1347)

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CH5183284, FF284

>  <Target> (554)
FGFR

>  <Form> (554)
free base

>  <CAS> (554)
1265229-25-1

>  <URL> (554)
http://selleckchem.com/products/ch5183284-debio-1347.html

$$$$
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csChFnd80/02252511162D

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>  <Formula> (555)
C22H21N3O3S

>  <MolWeight> (555)
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>  <Cat> (555)
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>  <Name> (555)
ANA-12

>  <Synonyms> (555)
N/A

>  <Target> (555)
Trk receptor

>  <Form> (555)
free base

>  <CAS> (555)
219766-25-3

>  <URL> (555)
http://selleckchem.com/products/ana-12.html

$$$$
LM-3573.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (556)
593

>  <Formula> (556)
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>  <MolWeight> (556)
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>  <Cat> (556)
S7782

>  <Name> (556)
Dasatinib Monohydrate

>  <Synonyms> (556)
BMS-354825 Monohydrate

>  <Target> (556)
Bcr-Abl,c-Kit,Src

>  <Form> (556)
Monohydrate

>  <CAS> (556)
863127-77-9

>  <URL> (556)
http://selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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csChFnd80/02252511162D

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>  <Mol_ID> (557)
594

>  <Formula> (557)
C22H27FN4O2

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>  <Cat> (557)
S7781

>  <Name> (557)
Sunitinib (SU11248)

>  <Synonyms> (557)
SU11248

>  <Target> (557)
Apoptosis related,Autophagy,c-Kit,IRE1,PDGFR,VEGFR

>  <Form> (557)
free base

>  <CAS> (557)
557795-19-4

>  <URL> (557)
http://selleckchem.com/products/sunitinib.html

$$$$
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csChFnd80/02252511162D

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>  <Mol_ID> (558)
595

>  <Formula> (558)
C22H23N3O4

>  <MolWeight> (558)
393.43572

>  <Cat> (558)
S7786

>  <Name> (558)
Erlotinib (OSI-774)

>  <Synonyms> (558)
CP358774, NSC 718781, Tarceva

>  <Target> (558)
Autophagy,EGFR

>  <Form> (558)
free base

>  <CAS> (558)
183321-74-6

>  <URL> (558)
http://selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (559)
596

>  <Formula> (559)
C18H13BrN4O

>  <MolWeight> (559)
381.22602

>  <Cat> (559)
S7557

>  <Name> (559)
CL-387785 (EKI-785)

>  <Synonyms> (559)
WAY-EKI 785

>  <Target> (559)
EGFR

>  <Form> (559)
free base

>  <CAS> (559)
194423-06-8

>  <URL> (559)
http://selleckchem.com/products/cl-387785-eki-785.html

$$$$
STF-083010.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (560)
597

>  <Formula> (560)
C15H11NO3S2

>  <MolWeight> (560)
317.38274

>  <Cat> (560)
S7771

>  <Name> (560)
STF-083010

>  <Synonyms> (560)
N/A

>  <Target> (560)
IRE1

>  <Form> (560)
free base

>  <CAS> (560)
307543-71-1

>  <URL> (560)
http://selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (561)
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>  <Formula> (561)
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>  <MolWeight> (561)
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>  <Cat> (561)
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>  <Name> (561)
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>  <Synonyms> (561)
N/A

>  <Target> (561)
PAK

>  <Form> (561)
free base

>  <CAS> (561)
1286739-19-2

>  <URL> (561)
http://selleckchem.com/products/frax597.html

$$$$
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   10.3176    7.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  2  0  0  0  0
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M  END
>  <Mol_ID> (562)
599

>  <Formula> (562)
C18H13N3OS2

>  <MolWeight> (562)
351.44532

>  <Cat> (562)
S7747

>  <Name> (562)
Ro-3306

>  <Synonyms> (562)
N/A

>  <Target> (562)
Apoptosis related,Bcl-2,CDK

>  <Form> (562)
free base

>  <CAS> (562)
872573-93-8

>  <URL> (562)
http://selleckchem.com/products/ro-3306.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (563)
600

>  <Formula> (563)
C32H33ClFN5O11

>  <MolWeight> (563)
718.0827232

>  <Cat> (563)
S7810

>  <Name> (563)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (563)
N/A

>  <Target> (563)
Autophagy,EGFR,HER2

>  <Form> (563)
Dimaleate

>  <CAS> (563)
850140-73-7

>  <URL> (563)
http://selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LY2409881.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (564)
601

>  <Formula> (564)
C24H32Cl4N6OS

>  <MolWeight> (564)
594.42748

>  <Cat> (564)
S7697

>  <Name> (564)
LY2409881

>  <Synonyms> (564)
N/A

>  <Target> (564)
I¦ÊB/IKK

>  <Form> (564)
trihydrochloride

>  <CAS> (564)
946518-60-1

>  <URL> (564)
http://selleckchem.com/products/ly2409881.html

$$$$
Afuresertib £¨GSK2110183).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (565)
602

>  <Formula> (565)
C18H17Cl2FN4OS

>  <MolWeight> (565)
427.3231832

>  <Cat> (565)
S7521

>  <Name> (565)
Afuresertib (GSK2110183)

>  <Synonyms> (565)
N/A

>  <Target> (565)
Akt

>  <Form> (565)
free base

>  <CAS> (565)
1047644-62-1

>  <URL> (565)
http://selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
GNE-317.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (566)
603

>  <Formula> (566)
C19H22N6O3S

>  <MolWeight> (566)
414.48138

>  <Cat> (566)
S7798

>  <Name> (566)
GNE-317

>  <Synonyms> (566)
N/A

>  <Target> (566)
PI3K

>  <Form> (566)
free base

>  <CAS> (566)
1394076-92-6

>  <URL> (566)
http://selleckchem.com/products/gne-317.html

$$$$
LDN-214117.cdx
csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
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 14  8  1  0  0  0  0
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 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 13 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (567)
604

>  <Formula> (567)
C25H29N3O3

>  <MolWeight> (567)
419.51606

>  <Cat> (567)
S7627

>  <Name> (567)
LDN-214117

>  <Synonyms> (567)
N/A

>  <Target> (567)
TGF-beta/Smad

>  <Form> (567)
free base

>  <CAS> (567)
1627503-67-6

>  <URL> (567)
http://selleckchem.com/products/ldn-214117.html

$$$$
Purvalanol A.cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  6  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (568)
605

>  <Formula> (568)
C19H25ClN6O

>  <MolWeight> (568)
388.8944

>  <Cat> (568)
S7793

>  <Name> (568)
Purvalanol A

>  <Synonyms> (568)
N/A

>  <Target> (568)
Apoptosis related,Autophagy,CDK

>  <Form> (568)
free base

>  <CAS> (568)
212844-53-6

>  <URL> (568)
http://selleckchem.com/products/purvalanol-a.html

$$$$
AZD2932.cdx
csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    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
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    4.6166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.8290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1573    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9964    4.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7175    7.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (569)
606

>  <Formula> (569)
C24H25N5O4

>  <MolWeight> (569)
447.4864

>  <Cat> (569)
S7003

>  <Name> (569)
AZD2932

>  <Synonyms> (569)
N/A

>  <Target> (569)
c-Kit,FLT3,PDGFR,VEGFR

>  <Form> (569)
free base

>  <CAS> (569)
883986-34-3

>  <URL> (569)
http://selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/02252511162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.6458    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0726    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2851    2.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5005    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4235    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    0.7121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0746    2.1138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7069    2.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  9  1  6  0  0  0
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M  END
>  <Mol_ID> (570)
607

>  <Formula> (570)
C14H19NO4

>  <MolWeight> (570)
265.30496

>  <Cat> (570)
S7409

>  <Name> (570)
Anisomycin

>  <Synonyms> (570)
Flagecidin, Wuningmeisu C

>  <Target> (570)
Apoptosis related,Autophagy,JNK

>  <Form> (570)
free base

>  <CAS> (570)
22862-76-6

>  <URL> (570)
http://selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (571)
608

>  <Formula> (571)
C17H21N7O4

>  <MolWeight> (571)
387.39314

>  <Cat> (571)
S7811

>  <Name> (571)
MHY1485

>  <Synonyms> (571)
N/A

>  <Target> (571)
Autophagy,mTOR

>  <Form> (571)
free base

>  <CAS> (571)
326914-06-1

>  <URL> (571)
http://selleckchem.com/products/mhy1485.html

$$$$
ERK5-IN-1.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (572)
609

>  <Formula> (572)
C36H46N8O3

>  <MolWeight> (572)
638.80224

>  <Cat> (572)
S7334

>  <Name> (572)
ERK5-IN-1

>  <Synonyms> (572)
XMD17-109

>  <Target> (572)
ERK

>  <Form> (572)
free base

>  <CAS> (572)
1435488-37-1

>  <URL> (572)
http://selleckchem.com/products/erk5-in-1.html

$$$$
SU6656.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (573)
610

>  <Formula> (573)
C19H21N3O3S

>  <MolWeight> (573)
371.45334

>  <Cat> (573)
S7774

>  <Name> (573)
SU6656

>  <Synonyms> (573)
N/A

>  <Target> (573)
Src

>  <Form> (573)
free base

>  <CAS> (573)
330161-87-0

>  <URL> (573)
http://selleckchem.com/products/su6656.html

$$$$
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csChFnd80/02252511162D

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M  END
>  <Mol_ID> (574)
611

>  <Formula> (574)
C23H18N4O3

>  <MolWeight> (574)
398.41402

>  <Cat> (574)
S7642

>  <Name> (574)
D 4476

>  <Synonyms> (574)
N/A

>  <Target> (574)
Casein Kinase

>  <Form> (574)
free base

>  <CAS> (574)
301836-43-1

>  <URL> (574)
http://selleckchem.com/products/d-4476.html

$$$$
XL147.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (575)
612

>  <Formula> (575)
C25H25ClN6O4S

>  <MolWeight> (575)
541.0218

>  <Cat> (575)
S7645

>  <Name> (575)
Pilaralisib (XL147)

>  <Synonyms> (575)
N/A

>  <Target> (575)
PI3K

>  <Form> (575)
free base

>  <CAS> (575)
934526-89-3

>  <URL> (575)
http://selleckchem.com/products/pilaralisib-xl147.html

$$$$
AT7519 HCl.cdx
csChFnd80/02252511162D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (576)
613

>  <Formula> (576)
C16H18Cl3N5O2

>  <MolWeight> (576)
418.70542

>  <Cat> (576)
S7808

>  <Name> (576)
AT7519 HCl

>  <Synonyms> (576)
N/A

>  <Target> (576)
CDK

>  <Form> (576)
Hydrochloride

>  <CAS> (576)
902135-91-5

>  <URL> (576)
http://selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (577)
614

>  <Formula> (577)
C31H33FN6O3

>  <MolWeight> (577)
556.6305232

>  <Cat> (577)
S7799

>  <Name> (577)
Pexmetinib (ARRY-614)

>  <Synonyms> (577)
N/A

>  <Target> (577)
p38 MAPK,Tie-2

>  <Form> (577)
free base

>  <CAS> (577)
945614-12-0

>  <URL> (577)
http://selleckchem.com/products/pexmetinib-arry-614.html

$$$$
HTH-01-015.cdx
csChFnd80/02252511162D

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AMPK

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free base

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1613724-42-7

>  <URL> (578)
http://selleckchem.com/products/hth-01-015.html

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616

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Pexidartinib (PLX3397)

>  <Synonyms> (579)
N/A

>  <Target> (579)
Apoptosis related,c-Kit,CSF-1R,FLT3

>  <Form> (579)
free base

>  <CAS> (579)
1029044-16-3

>  <URL> (579)
http://selleckchem.com/products/pexidartinib-plx3397.html

$$$$
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>  <Name> (580)
Ulixertinib (BVD-523)

>  <Synonyms> (580)
VRT752271

>  <Target> (580)
ERK

>  <Form> (580)
free base

>  <CAS> (580)
869886-67-9

>  <URL> (580)
http://selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$

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>  <Target> (581)
ERK

>  <Form> (581)
free base

>  <CAS> (581)
181223-80-3

>  <URL> (581)
http://selleckchem.com/products/del-22379.html

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M  END
>  <Mol_ID> (582)
619

>  <Formula> (582)
C18H22N4O2

>  <MolWeight> (582)
326.39288

>  <Cat> (582)
S7650

>  <Name> (582)
Peficitinib (ASP015K)

>  <Synonyms> (582)
JNJ-54781532

>  <Target> (582)
JAK

>  <Form> (582)
free base

>  <CAS> (582)
944118-01-8

>  <URL> (582)
http://selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (583)
620

>  <Formula> (583)
C31H34F2N6O2

>  <MolWeight> (583)
560.6374664

>  <Cat> (583)
S7998

>  <Name> (583)
Entrectinib (RXDX-101)

>  <Synonyms> (583)
NMS-E628

>  <Target> (583)
ALK,Autophagy,ROS1,Trk receptor

>  <Form> (583)
free base

>  <CAS> (583)
1108743-60-7

>  <URL> (583)
http://selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
CH5126766 (RO5126766).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (584)
621

>  <Formula> (584)
C21H18FN5O5S

>  <MolWeight> (584)
471.4615232

>  <Cat> (584)
S7170

>  <Name> (584)
Avutometinib

>  <Synonyms> (584)
RO5126766,CH5126766,VS 6766, CKI-27, R-7304, RG-7304

>  <Target> (584)
MEK,Raf

>  <Form> (584)
free base

>  <CAS> (584)
946128-88-7

>  <URL> (584)
http://selleckchem.com/products/ro5126766-ch5126766.html

$$$$
ABC294640.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (585)
622

>  <Formula> (585)
C23H25ClN2O

>  <MolWeight> (585)
380.9104

>  <Cat> (585)
S7174

>  <Name> (585)
Opaganib (ABC294640)

>  <Synonyms> (585)
N/A

>  <Target> (585)
SPHK

>  <Form> (585)
free base

>  <CAS> (585)
915385-81-8

>  <URL> (585)
http://selleckchem.com/products/abc294640.html

$$$$
GSK621.cdx
csChFnd80/02252511162D

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>  <CAS> (587)
1203494-49-8

>  <URL> (587)
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M  END
>  <Mol_ID> (589)
626

>  <Formula> (589)
C18H19F3N6O

>  <MolWeight> (589)
392.3782696

>  <Cat> (589)
S7541

>  <Name> (589)
Decernotinib (VX-509)

>  <Synonyms> (589)
N/A

>  <Target> (589)
JAK

>  <Form> (589)
free base

>  <CAS> (589)
944842-54-0

>  <URL> (589)
http://selleckchem.com/products/decernotinib-vx-509.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (590)
627

>  <Formula> (590)
C24H20Cl2FN5O2

>  <MolWeight> (590)
500.3523032

>  <Cat> (590)
S7709

>  <Name> (590)
VX-11e

>  <Synonyms> (590)
VTX-11e, Vertex-11e

>  <Target> (590)
ERK

>  <Form> (590)
free base

>  <CAS> (590)
896720-20-0

>  <URL> (590)
http://selleckchem.com/products/vx-11e.html

$$$$
AZD3759.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (591)
628

>  <Formula> (591)
C22H23ClFN5O3

>  <MolWeight> (591)
459.9011232

>  <Cat> (591)
S7971

>  <Name> (591)
Zorifertinib (AZD3759)

>  <Synonyms> (591)
N/A

>  <Target> (591)
EGFR

>  <Form> (591)
free base

>  <CAS> (591)
1626387-80-1

>  <URL> (591)
http://selleckchem.com/products/azd3759.html

$$$$
Voxtalisib (XL765, SAR245409).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (592)
629

>  <Formula> (592)
C13H14N6O

>  <MolWeight> (592)
270.28986

>  <Cat> (592)
S7646

>  <Name> (592)
Voxtalisib (XL765)

>  <Synonyms> (592)
SAR245409

>  <Target> (592)
mTOR,PI3K

>  <Form> (592)
free base

>  <CAS> (592)
934493-76-2

>  <URL> (592)
http://selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
PS-1145.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (593)
630

>  <Formula> (593)
C17H11ClN4O

>  <MolWeight> (593)
322.74844

>  <Cat> (593)
S7691

>  <Name> (593)
PS-1145

>  <Synonyms> (593)
N/A

>  <Target> (593)
I¦ÊB/IKK

>  <Form> (593)
free base

>  <CAS> (593)
431898-65-6

>  <URL> (593)
http://selleckchem.com/products/ps-1145.html

$$$$
LJI308.cdx
csChFnd80/02252511162D

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>  <Formula> (594)
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>  <Cat> (594)
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>  <Name> (594)
LJI308

>  <Synonyms> (594)
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>  <Target> (594)
S6 Kinase

>  <Form> (594)
free base

>  <CAS> (594)
1627709-94-7

>  <URL> (594)
http://selleckchem.com/products/lji308.html

$$$$
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633

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C26H24N6O2

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>  <Cat> (595)
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>  <Name> (595)
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SLx-2119

>  <Target> (595)
ROCK

>  <Form> (595)
free base

>  <CAS> (595)
911417-87-3

>  <URL> (595)
http://selleckchem.com/products/kd025-(slx-2119).html

$$$$
CC-223.cdx
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>  <Name> (596)
Onatasertib (CC 223)

>  <Synonyms> (596)
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>  <Target> (596)
mTOR

>  <Form> (596)
free base

>  <CAS> (596)
1228013-30-6

>  <URL> (596)
http://selleckchem.com/products/cc-223.html

$$$$
LJH685.cdx
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S6 Kinase

>  <Form> (597)
free base

>  <CAS> (597)
1627710-50-2

>  <URL> (597)
http://selleckchem.com/products/ljh685.html

$$$$
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>  <Formula> (598)
C18H16Cl2F2N4O2

>  <MolWeight> (598)
429.2480464

>  <Cat> (598)
S7492

>  <Name> (598)
Uprosertib (GSK2141795)

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GSK795

>  <Target> (598)
Akt

>  <Form> (598)
free base

>  <CAS> (598)
1047634-65-0

>  <URL> (598)
http://selleckchem.com/products/gsk2141795.html

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csChFnd80/02252511162D

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637

>  <Formula> (599)
C21H24ClN7O

>  <MolWeight> (599)
425.91456

>  <Cat> (599)
S7980

>  <Name> (599)
VPS34-IN1

>  <Synonyms> (599)
Vps34-IN-1

>  <Target> (599)
Autophagy,PI3K

>  <Form> (599)
free base

>  <CAS> (599)
1383716-33-3

>  <URL> (599)
http://selleckchem.com/products/vps34-in1.html

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Kenpaullone.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (600)
638

>  <Formula> (600)
C16H11BrN2O

>  <MolWeight> (600)
327.17534

>  <Cat> (600)
S7917

>  <Name> (600)
Kenpaullone

>  <Synonyms> (600)
9-Bromopaullone, NSC-664704

>  <Target> (600)
CDK

>  <Form> (600)
free base

>  <CAS> (600)
142273-20-9

>  <URL> (600)
http://selleckchem.com/products/kenpaullone.html

$$$$
MLN2480.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (601)
639

>  <Formula> (601)
C17H12Cl2F3N7O2S

>  <MolWeight> (601)
506.2890896

>  <Cat> (601)
S7121

>  <Name> (601)
Tovorafenib (MLN2480)

>  <Synonyms> (601)
BIIB-024, TAK580, AMG-2112819, BSK1369, DAY-101

>  <Target> (601)
Raf

>  <Form> (601)
free base

>  <CAS> (601)
1096708-71-2

>  <URL> (601)
http://selleckchem.com/products/mln2480.html

$$$$
PIK-III.cdx
csChFnd80/02252511162D

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640

>  <Formula> (602)
C17H17N7

>  <MolWeight> (602)
319.36378

>  <Cat> (602)
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>  <Name> (602)
PIK-III

>  <Synonyms> (602)
VPS34-IN2

>  <Target> (602)
Autophagy,LC3,PI3K

>  <Form> (602)
free base

>  <CAS> (602)
1383716-40-2

>  <URL> (602)
http://selleckchem.com/products/pik-iii.html

$$$$
ETC-1002.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (603)
642

>  <Formula> (603)
C19H36O5

>  <MolWeight> (603)
344.48614

>  <Cat> (603)
S7953

>  <Name> (603)
ETC-1002

>  <Synonyms> (603)
Bempedoic acid, ESP-55016

>  <Target> (603)
AMPK,ATP-citrate lyase,LDL

>  <Form> (603)
free base

>  <CAS> (603)
738606-46-7

>  <URL> (603)
http://selleckchem.com/products/etc-1002.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (604)
643

>  <Formula> (604)
C27H25F3N8O2

>  <MolWeight> (604)
550.5350096

>  <Cat> (604)
S7752

>  <Name> (604)
Pluripotin (SC1)

>  <Synonyms> (604)
N/A

>  <Target> (604)
ERK,S6 Kinase

>  <Form> (604)
free base

>  <CAS> (604)
839707-37-8

>  <URL> (604)
http://selleckchem.com/products/pluripotin-sc1.html

$$$$
PLX7904.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (605)
644

>  <Formula> (605)
C24H22F2N6O3S

>  <MolWeight> (605)
512.5316864

>  <Cat> (605)
S7964

>  <Name> (605)
PLX7904

>  <Synonyms> (605)
PB04

>  <Target> (605)
Raf

>  <Form> (605)
free base

>  <CAS> (605)
1393465-84-3

>  <URL> (605)
http://selleckchem.com/products/plx7904.html

$$$$
MRT68921.cdx
csChFnd80/02252511162D

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A   35
xHCl
M  END
>  <Mol_ID> (606)
645

>  <Formula> (606)
C26H36N6O2R

>  <MolWeight> (606)
464.60304

>  <Cat> (606)
S7948

>  <Name> (606)
MRT67307 HCl

>  <Synonyms> (606)
N/A

>  <Target> (606)
Autophagy,I¦ÊB/IKK,TBK1,ULK

>  <Form> (606)
hydrochloride

>  <CAS> (606)
1781882-89-0

>  <URL> (606)
https://www.selleckchem.com/products/mrt67307-hcl.html

$$$$
MRT67307.cdx
csChFnd80/02252511162D

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A   33
XHCl
M  END
>  <Mol_ID> (607)
646

>  <Formula> (607)
C25H34N6OR

>  <MolWeight> (607)
434.57706

>  <Cat> (607)
S7949

>  <Name> (607)
MRT68921 HCl

>  <Synonyms> (607)
N/A

>  <Target> (607)
Autophagy,ULK

>  <Form> (607)
hydrochloride

>  <CAS> (607)
2070014-87-6

>  <URL> (607)
http://selleckchem.com/products/mrt68921.html

$$$$
GSK2292767.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (608)
647

>  <Formula> (608)
C24H28N6O5S

>  <MolWeight> (608)
512.58132

>  <Cat> (608)
S7938

>  <Name> (608)
GSK2292767

>  <Synonyms> (608)
N/A

>  <Target> (608)
PI3K

>  <Form> (608)
free base

>  <CAS> (608)
1254036-66-2

>  <URL> (608)
http://selleckchem.com/products/gsk2292767.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (609)
648

>  <Formula> (609)
C29H50O2

>  <MolWeight> (609)
430.7061

>  <Cat> (609)
S4686

>  <Name> (609)
Vitamin E

>  <Synonyms> (609)
Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (609)
COX,VEGFR

>  <Form> (609)
free base

>  <CAS> (609)
59-02-9

>  <URL> (609)
http://selleckchem.com/products/vitamin-e.html

$$$$
LY333531.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (610)
649

>  <Formula> (610)
C28H29ClN4O3

>  <MolWeight> (610)
505.00786

>  <Cat> (610)
S7663

>  <Name> (610)
Ruboxistaurin (LY333531) HCl

>  <Synonyms> (610)
Ruboxistaurin hydrochloride,  LY333531 hydrochloride

>  <Target> (610)
PKC

>  <Form> (610)
hydrochloride

>  <CAS> (610)
169939-93-9

>  <URL> (610)
http://selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (611)
650

>  <Formula> (611)
C25H23Cl2FN6O

>  <MolWeight> (611)
513.3941232

>  <Cat> (611)
S7807

>  <Name> (611)
FRAX486

>  <Synonyms> (611)
N/A

>  <Target> (611)
PAK

>  <Form> (611)
free base

>  <CAS> (611)
1232030-35-1

>  <URL> (611)
http://selleckchem.com/products/frax486.html

$$$$
AZD8835.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (612)
651

>  <Formula> (612)
C22H31N9O3

>  <MolWeight> (612)
469.54004

>  <Cat> (612)
S7966

>  <Name> (612)
AZD8835

>  <Synonyms> (612)
N/A

>  <Target> (612)
PI3K

>  <Form> (612)
free base

>  <CAS> (612)
1620576-64-8

>  <URL> (612)
http://selleckchem.com/products/azd8835.html

$$$$
BAY-61-3606.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (613)
652

>  <Formula> (613)
C20H20Cl2N6O3

>  <MolWeight> (613)
463.3172

>  <Cat> (613)
S7006

>  <Name> (613)
BAY-61-3606

>  <Synonyms> (613)
N/A

>  <Target> (613)
Apoptosis related,Syk

>  <Form> (613)
dihydrochloride

>  <CAS> (613)
648903-57-5

>  <URL> (613)
http://selleckchem.com/products/bay-61-3606.html

$$$$
LOXO-101.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (614)
653

>  <Formula> (614)
C21H24F2N6O6S

>  <MolWeight> (614)
526.5136664

>  <Cat> (614)
S7960

>  <Name> (614)
Larotrectinib (LOXO-101) sulfate

>  <Synonyms> (614)
ARRY-470, Larotrectinib

>  <Target> (614)
Apoptosis related,Trk receptor

>  <Form> (614)
sulfate

>  <CAS> (614)
1223405-08-0

>  <URL> (614)
http://selleckchem.com/products/loxo-101.html

$$$$
BMS-911543.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (615)
654

>  <Formula> (615)
C23H28N8O

>  <MolWeight> (615)
432.52142

>  <Cat> (615)
S7144

>  <Name> (615)
BMS-911543

>  <Target> (615)
JAK

>  <Form> (615)
free base

>  <CAS> (615)
1271022-90-2

>  <URL> (615)
http://selleckchem.com/products/bms-911543.html

$$$$
OICR-9429.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (616)
655

>  <Formula> (616)
C29H32F3N5O3

>  <MolWeight> (616)
555.5912896

>  <Cat> (616)
S7833

>  <Name> (616)
OICR-9429

>  <Synonyms> (616)
N/A

>  <Target> (616)
Histone Methyltransferase,WDR5

>  <Form> (616)
free base

>  <CAS> (616)
1801787-56-3

>  <URL> (616)
http://selleckchem.com/products/oicr-9429.html

$$$$
GSK269962.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (617)
656

>  <Formula> (617)
C29H31ClN8O5

>  <MolWeight> (617)
607.06004

>  <Cat> (617)
S7687

>  <Name> (617)
GSK269962A HCl

>  <Synonyms> (617)
GSK269962B, GSK269962, GSK 269962

>  <Target> (617)
ROCK

>  <Form> (617)
hydrochloride

>  <CAS> (617)
2095432-71-4

>  <URL> (617)
http://selleckchem.com/products/gsk269962.html

$$$$
RO9021.cdx
csChFnd80/02252511162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 19 24  1  6  0  0  0
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  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (618)
657

>  <Formula> (618)
C18H25N7O

>  <MolWeight> (618)
355.4374

>  <Cat> (618)
S7286

>  <Name> (618)
RO9021

>  <Synonyms> (618)
N/A

>  <Target> (618)
Syk

>  <Form> (618)
free base

>  <CAS> (618)
1446790-62-0

>  <URL> (618)
http://selleckchem.com/products/ro9021.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (619)
658

>  <Formula> (619)
C30H22F2N6O3

>  <MolWeight> (619)
552.5308864

>  <Cat> (619)
S7014

>  <Name> (619)
Merestinib (LY2801653)

>  <Synonyms> (619)
N/A

>  <Target> (619)
Axl,c-Met,DDR,FLT3,Mertk,ROS1

>  <Form> (619)
free base

>  <CAS> (619)
1206799-15-6

>  <URL> (619)
http://selleckchem.com/products/ly2801653-merestinib.html

$$$$
CC-115.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (620)
659

>  <Formula> (620)
C16H16N8O

>  <MolWeight> (620)
336.35124

>  <Cat> (620)
S7891

>  <Name> (620)
CC-115

>  <Synonyms> (620)
N/A

>  <Target> (620)
DNA-PK,mTOR

>  <Form> (620)
free base

>  <CAS> (620)
1228013-15-7

>  <URL> (620)
http://selleckchem.com/products/cc-115.html

$$$$
Y-39983 HCl.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (621)
660

>  <Formula> (621)
C16H18Cl2N4O

>  <MolWeight> (621)
353.24632

>  <Cat> (621)
S7935

>  <Name> (621)
Y-39983 HCl

>  <Synonyms> (621)
Y-33075 HCl

>  <Target> (621)
ROCK

>  <Form> (621)
dihydrochloride

>  <CAS> (621)
173897-44-4

>  <URL> (621)
http://selleckchem.com/products/y-39983-hcl.html

$$$$
NSC12.cdx
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661

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C24H34F6O3

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NSC12

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NSC 172285

>  <Target> (622)
FGFR

>  <Form> (622)
free base

>  <CAS> (622)
102586-30-1

>  <URL> (622)
http://selleckchem.com/products/nsc12.html

$$$$
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>  <Mol_ID> (623)
662

>  <Formula> (623)
C31H30Cl3N7O2

>  <MolWeight> (623)
638.9746

>  <Cat> (623)
S7549

>  <Name> (623)
THZ1 2HCl

>  <Synonyms> (623)
N/A

>  <Target> (623)
CDK

>  <Form> (623)
dihydrochloride

>  <CAS> (623)
2095433-94-4

>  <URL> (623)
http://selleckchem.com/products/thz1.html

$$$$
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663

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C26H28N6O

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>  <Cat> (624)
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>  <Name> (624)
Nemiralisib

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GSK2269557

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PI3K

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free base

>  <CAS> (624)
1254036-71-9

>  <URL> (624)
http://selleckchem.com/products/gsk2269557.html

$$$$
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>  <Mol_ID> (625)
664

>  <Formula> (625)
C29H27F5N2O6S

>  <MolWeight> (625)
626.591496

>  <Cat> (625)
S7769

>  <Name> (625)
BP-1-102

>  <Synonyms> (625)
N/A

>  <Target> (625)
STAT

>  <Form> (625)
free base

>  <CAS> (625)
1334493-07-0

>  <URL> (625)
http://selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (626)
665

>  <Formula> (626)
C21H21ClN2O2S

>  <MolWeight> (626)
400.92164

>  <Cat> (626)
S7652

>  <Name> (626)
OTS514 hydrochloride

>  <Synonyms> (626)
N/A

>  <Target> (626)
Apoptosis related,TOPK

>  <Form> (626)
hydrochloride

>  <CAS> (626)
2319647-76-0

>  <URL> (626)
http://selleckchem.com/products/ots514.html

$$$$
S7743-CCT196969.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (627)
667

>  <Formula> (627)
C27H24FN7O3

>  <MolWeight> (627)
513.5229632

>  <Cat> (627)
S7743

>  <Name> (627)
CCT196969

>  <Synonyms> (627)
N/A

>  <Target> (627)
Raf,Src

>  <Form> (627)
free base

>  <CAS> (627)
1163719-56-9

>  <URL> (627)
http://selleckchem.com/products/cct196969.html

$$$$
LY2857785.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (628)
668

>  <Formula> (628)
C26H36N6O

>  <MolWeight> (628)
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>  <Cat> (628)
S7511

>  <Name> (628)
LY2857785

>  <Synonyms> (628)
N/A

>  <Target> (628)
CDK

>  <Form> (628)
free base

>  <CAS> (628)
1619903-54-6

>  <URL> (628)
http://selleckchem.com/products/ly2857785.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (629)
669

>  <Formula> (629)
C23H28N8O

>  <MolWeight> (629)
432.52142

>  <Cat> (629)
S7992

>  <Name> (629)
LDC4297 (LDC044297)

>  <Synonyms> (629)
N/A

>  <Target> (629)
CDK

>  <Form> (629)
free base

>  <CAS> (629)
1453834-21-3

>  <URL> (629)
http://selleckchem.com/products/ldc4297-ldc044297.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (630)
670

>  <Formula> (630)
C19H15N3O2

>  <MolWeight> (630)
317.3413

>  <Cat> (630)
S7954

>  <Name> (630)
CP21R7 (CP21)

>  <Synonyms> (630)
N/A

>  <Target> (630)
GSK-3,Wnt/beta-catenin

>  <Form> (630)
free base

>  <CAS> (630)
125314-13-8

>  <URL> (630)
http://selleckchem.com/products/cp21r7-cp21.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (631)
671

>  <Formula> (631)
C26H31ClN6O2

>  <MolWeight> (631)
495.01634

>  <Cat> (631)
S7824

>  <Name> (631)
Nazartinib (EGF816)

>  <Synonyms> (631)
NVS-816

>  <Target> (631)
EGFR

>  <Form> (631)
free base

>  <CAS> (631)
1508250-71-2

>  <URL> (631)
http://selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
OTS964.cdx
csChFnd80/02252511162D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (632)
672

>  <Formula> (632)
C23H26Cl2N2O2S

>  <MolWeight> (632)
465.43574

>  <Cat> (632)
S7648

>  <Name> (632)
OTS964

>  <Synonyms> (632)
N/A

>  <Target> (632)
Apoptosis related,Autophagy,CDK,TOPK

>  <Form> (632)
dihydrochloride

>  <CAS> (632)
1338545-07-5

>  <URL> (632)
http://selleckchem.com/products/ots964.html

$$$$
PRT-060318 (PRT318).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (633)
673

>  <Formula> (633)
C18H26Cl2N6O

>  <MolWeight> (633)
413.34464

>  <Cat> (633)
S7738

>  <Name> (633)
PRT-060318 2HCl

>  <Synonyms> (633)
PRT318

>  <Target> (633)
Syk

>  <Form> (633)
Dihydrochloride

>  <CAS> (633)
1194961-19-7 (free base)

>  <URL> (633)
http://selleckchem.com/products/prt-060318-prt318-3hcl.html

$$$$
CFI-400945.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (634)
674

>  <Formula> (634)
C33H34N4O3

>  <MolWeight> (634)
534.64806

>  <Cat> (634)
S7552

>  <Name> (634)
CFI-400945

>  <Synonyms> (634)
N/A

>  <Target> (634)
PLK

>  <Form> (634)
free base

>  <CAS> (634)
1338806-73-7

>  <URL> (634)
http://selleckchem.com/products/cfi-400945.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (635)
675

>  <Formula> (635)
C29H44N8O3

>  <MolWeight> (635)
552.71146

>  <Cat> (635)
S7754

>  <Name> (635)
Gilteritinib (ASP2215)

>  <Synonyms> (635)
N/A

>  <Target> (635)
Axl,FLT3

>  <Form> (635)
free base

>  <CAS> (635)
1254053-43-4

>  <URL> (635)
http://selleckchem.com/products/gilteritinib-asp2215.html

$$$$
3PO.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (636)
676

>  <Formula> (636)
C13H10N2O

>  <MolWeight> (636)
210.2313

>  <Cat> (636)
S7639

>  <Name> (636)
3PO

>  <Synonyms> (636)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (636)
PFKFB

>  <Form> (636)
free base

>  <CAS> (636)
18550-98-6

>  <URL> (636)
http://selleckchem.com/products/3po.html

$$$$
S5144 Neferine.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (637)
677

>  <Formula> (637)
C38H44N2O6

>  <MolWeight> (637)
624.76576

>  <Cat> (637)
S5144

>  <Name> (637)
Neferine

>  <Synonyms> (637)
(R)-1,2-Dimethoxyaporphine

>  <Target> (637)
Akt,Apoptosis related,Autophagy,HIV,NF-¦ÊB,Nrf2

>  <Form> (637)
free base

>  <CAS> (637)
2292-16-2

>  <URL> (637)
http://selleckchem.com/products/neferine.html

$$$$
S5045 Nomilin.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (638)
680

>  <Formula> (638)
C28H34O9

>  <MolWeight> (638)
514.56416

>  <Cat> (638)
S5045

>  <Name> (638)
Nomilin

>  <Synonyms> (638)
N/A

>  <Target> (638)
Apoptosis related

>  <Form> (638)
free base

>  <CAS> (638)
1063-77-0

>  <URL> (638)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (639)
681

>  <Formula> (639)
C21H17ClF4N4O4

>  <MolWeight> (639)
500.8306928

>  <Cat> (639)
S5077

>  <Name> (639)
Regorafenib (BAY-734506) Monohydrate

>  <Synonyms> (639)
Fluoro-sorafenib, Resihance, Stivarga, regorafaenib monohydrate

>  <Target> (639)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (639)
monohydrate

>  <CAS> (639)
1019206-88-2

>  <URL> (639)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (640)
682

>  <Formula> (640)
C10H12N4O3

>  <MolWeight> (640)
236.22728

>  <Cat> (640)
S5084

>  <Name> (640)
Carbazochrome

>  <Synonyms> (640)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (640)
Others

>  <Form> (640)
free base

>  <CAS> (640)
69-81-8

>  <URL> (640)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (641)
683

>  <Formula> (641)
C19H11Cl2I2NO3

>  <MolWeight> (641)
626.01048

>  <Cat> (641)
S5093

>  <Name> (641)
Rafoxanide

>  <Synonyms> (641)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (641)
Parasite

>  <Form> (641)
free base

>  <CAS> (641)
22662-39-1

>  <URL> (641)
http://selleckchem.com/products/rafoxanide.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/02252511162D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    4.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    3.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9975    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2503    2.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6150    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9761    4.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7229    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6810    1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2887    1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6015    1.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (642)
684

>  <Formula> (642)
C13H18N2O6

>  <MolWeight> (642)
298.29182

>  <Cat> (642)
S5060

>  <Name> (642)
Metadoxine

>  <Synonyms> (642)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (642)
5-HT Receptor

>  <Form> (642)
salt

>  <CAS> (642)
74536-44-0

>  <URL> (642)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/02252511162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (643)
685

>  <Formula> (643)
C10H16N5O8P

>  <MolWeight> (643)
365.236501

>  <Cat> (643)
S5284

>  <Name> (643)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (643)
5'-Adenylic acid, 5'-AMP

>  <Target> (643)
AMPK

>  <Form> (643)
hydrate

>  <CAS> (643)
18422-05-4

>  <URL> (643)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/02252511162D

 14 10  0  0  0  0  0  0  0  0999 V2000
    7.1296    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (644)
686

>  <Formula> (644)
C6H14Cl4N4

>  <MolWeight> (644)
284.01416

>  <Cat> (644)
S5321

>  <Name> (644)
Y15

>  <Synonyms> (644)
1,2,4,5-Benzenetetraamine tetrahydrochloride, FAK inhibitor 14

>  <Target> (644)
FAK

>  <Form> (644)
tetrahydrochloride

>  <CAS> (644)
4506-66-5

>  <URL> (644)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (645)
688

>  <Formula> (645)
C18H16N2O

>  <MolWeight> (645)
276.33244

>  <Cat> (645)
S5313

>  <Name> (645)
SC66

>  <Synonyms> (645)
N/A

>  <Target> (645)
Akt

>  <Form> (645)
free base

>  <CAS> (645)
871361-88-5

>  <URL> (645)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6325    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4145    0.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1918    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
  2  6  1  0  0  0  0
  5  2  2  0  0  0  0
  4  3  2  0  0  0  0
  8  3  1  0  0  0  0
  7  4  1  0  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (646)
689

>  <Formula> (646)
C12H17N5O

>  <MolWeight> (646)
247.29628

>  <Cat> (646)
S5316

>  <Name> (646)
NU2058

>  <Synonyms> (646)
O(6)-Cyclohexylmethylguanine

>  <Target> (646)
CDK

>  <Form> (646)
free base

>  <CAS> (646)
161058-83-9

>  <URL> (646)
http://selleckchem.com/products/nu2058.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/02252511162D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6324    3.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    4.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    5.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119    5.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    6.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8882    3.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8881    0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1008    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1009    1.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2031    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (647)
690

>  <Formula> (647)
C23H26ClN

>  <MolWeight> (647)
351.91224

>  <Cat> (647)
S5279

>  <Name> (647)
Fendiline hydrochloride

>  <Synonyms> (647)
N/A

>  <Target> (647)
Calcium Channel,Ras

>  <Form> (647)
hydrochloride

>  <CAS> (647)
13636-18-5

>  <URL> (647)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (648)
691

>  <Formula> (648)
C21H28O2

>  <MolWeight> (648)
312.44582

>  <Cat> (648)
S3792

>  <Name> (648)
Guggulsterone E&Z

>  <Synonyms> (648)
N/A

>  <Target> (648)
FXR

>  <Form> (648)
free base

>  <CAS> (648)
95975-55-6

>  <URL> (648)
http://selleckchem.com/products/guggulsterone.html

$$$$
S4955 Acetosyringone.cdx
csChFnd80/02252511162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4434    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    2.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0186    2.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6466    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (649)
692

>  <Formula> (649)
C10H12O4

>  <MolWeight> (649)
196.19988

>  <Cat> (649)
S4955

>  <Name> (649)
Acetosyringone

>  <Synonyms> (649)
Acetosyringenin

>  <Target> (649)
Others

>  <Form> (649)
free base

>  <CAS> (649)
2478-38-8

>  <URL> (649)
http://selleckchem.com/products/acetosyringone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/02252511162D

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    5.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.1486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    6.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    6.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7847    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1470    8.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7947    8.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5202    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8921    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2236    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    3.4356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5938    3.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    2.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  8  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (650)
693

>  <Formula> (650)
C24H24F3N5O5S3

>  <MolWeight> (650)
615.6680696

>  <Cat> (650)
S5069

>  <Name> (650)
Dabrafenib Mesylate

>  <Synonyms> (650)
GSK2118436 Mesylate

>  <Target> (650)
Raf

>  <Form> (650)
mesylate

>  <CAS> (650)
1195768-06-9

>  <URL> (650)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/02252511162D

 46 49  0  0  0  0  0  0  0  0999 V2000
    7.3937    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6166    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8363    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    6.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    8.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    8.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1987    7.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    5.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6915    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    9.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    9.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262   10.8811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2956   11.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6579   12.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2855   10.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6378   10.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9801    9.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3424   11.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3525   12.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0002   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6947   11.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9362   11.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4689    4.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6813    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2565    4.0011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.9565    2.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565    5.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0440    3.3011    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
  2 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  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
 22 27  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 31 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  0  0  0  0
  3 14  2  0  0  0  0
 12 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (651)
694

>  <Formula> (651)
C33H39N5O7S

>  <MolWeight> (651)
649.75706

>  <Cat> (651)
S5234

>  <Name> (651)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (651)
Intedanib, BIBF 1120

>  <Target> (651)
FGFR,PDGFR,VEGFR

>  <Form> (651)
ethanesulfonate

>  <CAS> (651)
656247-18-6

>  <URL> (651)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/02252511162D

 41 44  0  0  0  0  0  0  0  0999 V2000
   10.8290    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    7.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8912    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1036    7.8882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2500    9.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6194    9.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3194    8.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3826    7.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    9.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    9.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    5.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    5.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    7.1882    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1715    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 12  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 14 15  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
  7 20  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 23 31  1  0  0  0  0
 26 31  2  0  0  0  0
 24 32  1  0  0  0  0
 27 33  1  0  0  0  0
 22 28  1  0  0  0  0
  4 22  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (652)
695

>  <Formula> (652)
C29H31FN4O7

>  <MolWeight> (652)
566.5774432

>  <Cat> (652)
S5242

>  <Name> (652)
Cediranib Maleate

>  <Synonyms> (652)
AZD-2171 maleate

>  <Target> (652)
VEGFR

>  <Form> (652)
maleate

>  <CAS> (652)
857036-77-2

>  <URL> (652)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/02252511162D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (653)
696

>  <Formula> (653)
C22H42O2

>  <MolWeight> (653)
338.56768

>  <Cat> (653)
S5383

>  <Name> (653)
Erucic acid

>  <Synonyms> (653)
cis-13-docosenoic acid

>  <Target> (653)
PI3K

>  <Form> (653)
free base

>  <CAS> (653)
112-86-7

>  <URL> (653)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/02252511162D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (654)
697

>  <Formula> (654)
C3H3BrO3

>  <MolWeight> (654)
166.95812

>  <Cat> (654)
S5426

>  <Name> (654)
Bromopyruvic acid

>  <Synonyms> (654)
3-Bromopyruvic acid, 3-Bromopyruvate, Bromopyruvic acid, Hexokinase II Inhibitor II, 3-BP

>  <Target> (654)
Carbohydrate Metabolism

>  <Form> (654)
free base

>  <CAS> (654)
1113-59-3

>  <URL> (654)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/02252511162D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (655)
698

>  <Formula> (655)
C8H6BrN

>  <MolWeight> (655)
196.04394

>  <Cat> (655)
S5439

>  <Name> (655)
5-Bromoindole

>  <Synonyms> (655)
N/A

>  <Target> (655)
GSK-3

>  <Form> (655)
free base

>  <CAS> (655)
10075-50-0

>  <URL> (655)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/02252511162D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (656)
699

>  <Formula> (656)
C11H12O4

>  <MolWeight> (656)
208.21058

>  <Cat> (656)
S5451

>  <Name> (656)
Ferulic acid methyl ester

>  <Synonyms> (656)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (656)
Immunology & Inflammation related

>  <Form> (656)
free base

>  <CAS> (656)
2309-07-1

>  <URL> (656)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/02252511162D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (657)
700

>  <Formula> (657)
C20H14ClNO4

>  <MolWeight> (657)
367.78246

>  <Cat> (657)
S5452

>  <Name> (657)
Sanguinarine chloride

>  <Synonyms> (657)
N/A

>  <Target> (657)
phosphatase,ROS

>  <Form> (657)
chloride

>  <CAS> (657)
5578-73-4

>  <URL> (657)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/02252511162D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7241    4.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9338    4.8373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3568    4.8031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    4.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    3.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    5.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    5.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7118    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1677    7.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2160    9.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    9.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1031    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
  4  7  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
  1  2  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 15 18  1  0  0  0  0
 13 37  1  1  0  0  0
 16 20  1  0  0  0  0
  6 38  1  1  0  0  0
 19 17  1  0  0  0  0
  2 39  1  1  0  0  0
 17 18  1  0  0  0  0
  1 40  1  6  0  0  0
 19 20  1  0  0  0  0
  4 41  1  6  0  0  0
  1  6  1  0  0  0  0
  3 42  1  6  0  0  0
  2  3  1  0  0  0  0
  9 43  1  6  0  0  0
  3  4  1  0  0  0  0
 10 44  1  6  0  0  0
  4  5  1  0  0  0  0
 20 45  1  6  0  0  0
 19 23  1  0  0  0  0
 23 46  1  6  0  0  0
 20 21  1  0  0  0  0
 28 47  1  6  0  0  0
 21 22  1  0  0  0  0
 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
 12 49  1  1  0  0  0
 23 24  1  0  0  0  0
 16 50  1  1  0  0  0
  5  6  1  0  0  0  0
 19 51  1  1  0  0  0
  8 13  1  0  0  0  0
 24 52  1  1  0  0  0
  9 10  1  0  0  0  0
 27 53  1  1  0  0  0
 10 11  1  0  0  0  0
 32 54  1  1  0  0  0
 53 54  1  0  0  0  0
 23 26  1  0  0  0  0
 31 55  1  1  0  0  0
 24 28  1  0  0  0  0
 35 56  1  0  0  0  0
 27 25  1  0  0  0  0
 35 57  1  0  0  0  0
 25 26  2  0  0  0  0
 38 58  1  0  0  0  0
 27 28  1  0  0  0  0
 16 59  1  0  0  0  0
 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (658)
701

>  <Formula> (658)
C42H68O13

>  <MolWeight> (658)
780.98152

>  <Cat> (658)
S5454

>  <Name> (658)
Saikosaponin D

>  <Synonyms> (658)
N/A

>  <Target> (658)
ATPase

>  <Form> (658)
free base

>  <CAS> (658)
20874-52-6

>  <URL> (658)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/02252511162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
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 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (659)
702

>  <Formula> (659)
C20H20O4

>  <MolWeight> (659)
324.3704

>  <Cat> (659)
S5456

>  <Name> (659)
Isobavachalcone

>  <Synonyms> (659)
Corylifolinin

>  <Target> (659)
Bacterial

>  <Form> (659)
free base

>  <CAS> (659)
20784-50-3

>  <URL> (659)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/02252511162D

 33 35  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  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
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 21 18  1  1  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
 27 31  1  1  0  0  0
 27 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (660)
703

>  <Formula> (660)
C22H26O11

>  <MolWeight> (660)
466.43524

>  <Cat> (660)
S5457

>  <Name> (660)
Curculigoside

>  <Synonyms> (660)
Curculigoside A

>  <Target> (660)
Immunology & Inflammation related

>  <Form> (660)
free base

>  <CAS> (660)
85643-19-2

>  <URL> (660)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/02252511162D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  3  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (661)
704

>  <Formula> (661)
C29H36O15

>  <MolWeight> (661)
624.58714

>  <Cat> (661)
S5458

>  <Name> (661)
Verbascoside

>  <Synonyms> (661)
Acteoside, Kusaginin

>  <Target> (661)
Immunology & Inflammation related

>  <Form> (661)
free base

>  <CAS> (661)
61276-17-3

>  <URL> (661)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2618    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    4.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    4.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7210    3.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    2.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    3.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9821    5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2093    6.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  2  0  0  0  0
  8 10  1  0  0  0  0
 11  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (662)
705

>  <Formula> (662)
C20H16O5

>  <MolWeight> (662)
336.33804

>  <Cat> (662)
S5464

>  <Name> (662)
Psoralidin

>  <Synonyms> (662)
N/A

>  <Target> (662)
Estrogen/progestogen Receptor

>  <Form> (662)
free base

>  <CAS> (662)
18642-23-4

>  <URL> (662)
http://selleckchem.com/products/psoralidin.html

$$$$
S5529 Galangin.cdx
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    4.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6858    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180    0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (663)
706

>  <Formula> (663)
C15H10O5

>  <MolWeight> (663)
270.2369

>  <Cat> (663)
S5529

>  <Name> (663)
Galangin

>  <Synonyms> (663)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (663)
P450 (e.g. CYP17)

>  <Form> (663)
free base

>  <CAS> (663)
548-83-4

>  <URL> (663)
http://selleckchem.com/products/galangin.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/02252511162D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5696   20.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8763   20.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9075   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   14.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0035   21.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4859   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2690   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2690   10.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519    9.8138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   10.5056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0519    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4133    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4133    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2088    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2088    7.0080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9792    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9792    7.7127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2088    5.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7746    9.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7746    7.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    6.3163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5577    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    7.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    4.2025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1361    6.3163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1361    4.9069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3406    2.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    3.5108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7746    2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    2.1011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2804    3.5108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4975    1.3966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9193    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804    2.1011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0637    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5586   16.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2136   14.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   11.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 70  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  1  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  1  0  0  0
  9 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 71  1  6  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  1  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 72  1  1  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  6  0  0  0
 33 36  1  1  0  0  0
 33 34  1  0  0  0  0
 34 37  1  6  0  0  0
 38 37  1  1  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  6  0  0  0
 42 45  1  1  0  0  0
 42 43  1  0  0  0  0
 43 46  1  6  0  0  0
 47 46  1  1  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 50 52  1  0  0  0  0
 50 53  1  6  0  0  0
 51 54  1  1  0  0  0
 51 52  1  0  0  0  0
 52 55  1  6  0  0  0
 53 56  1  0  0  0  0
 57 55  1  1  0  0  0
 56 58  1  0  0  0  0
 56 59  2  0  0  0  0
 57 60  1  0  0  0  0
 57 61  1  0  0  0  0
 60 62  1  0  0  0  0
 61 63  1  0  0  0  0
 61 64  1  6  0  0  0
 62 65  1  0  0  0  0
 62 66  1  1  0  0  0
 63 67  1  1  0  0  0
 63 65  1  0  0  0  0
 65 68  1  6  0  0  0
 66 69  1  0  0  0  0
M  END
>  <Mol_ID> (664)
707

>  <Formula> (664)
C49H76O20

>  <MolWeight> (664)
985.11574

>  <Cat> (664)
S5554

>  <Name> (664)
Lanatoside C

>  <Synonyms> (664)
N/A

>  <Target> (664)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (664)
free base

>  <CAS> (664)
17575-22-3

>  <URL> (664)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/02252511162D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.6998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    7.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.3331    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7024    0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4024    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4657    2.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7948    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3135    4.2145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
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 24 25  2  0  0  0  0
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 25 37  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (665)
708

>  <Formula> (665)
C28H23ClF3N7O

>  <MolWeight> (665)
565.9767296

>  <Cat> (665)
S5205

>  <Name> (665)
Nilotinib hydrochloride

>  <Synonyms> (665)
AMN-107 HCl

>  <Target> (665)
Bcr-Abl

>  <Form> (665)
hydrochloride

>  <CAS> (665)
923288-95-3

>  <URL> (665)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/02252511162D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 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
   14.0798    2.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  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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 25 26  2  0  0  0  0
 14 26  1  0  0  0  0
 12 27  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  2  0  0  0  0
  3 28  1  0  0  0  0
  2 29  1  0  0  0  0
 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> (666)
709

>  <Formula> (666)
C22H23ClN4O7S

>  <MolWeight> (666)
522.95862

>  <Cat> (666)
S5240

>  <Name> (666)
Lenvatinib (E7080) Mesylate

>  <Synonyms> (666)
E7080 mesylate

>  <Target> (666)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (666)
Mesylate

>  <CAS> (666)
857890-39-2

>  <URL> (666)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/02252511162D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6325    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    2.7954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    3.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    1.6743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    5.5909    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3902    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2006    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  9  2  1  0  0  0  0
  6  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (667)
710

>  <Formula> (667)
C6HBr4N3

>  <MolWeight> (667)
434.70824

>  <Cat> (667)
S5265

>  <Name> (667)
TBB

>  <Synonyms> (667)
4,5,6,7-tetrabromobenzotriazole

>  <Target> (667)
Casein Kinase

>  <Form> (667)
Benzotriazoles

>  <CAS> (667)
17374-26-4

>  <URL> (667)
http://selleckchem.com/products/tbb.html

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/02252511162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    4.6326    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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5792    3.5000    0.0000 N   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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (668)
711

>  <Formula> (668)
C7H5N3O2

>  <MolWeight> (668)
163.1335

>  <Cat> (668)
S5542

>  <Name> (668)
7-Nitroindazole

>  <Synonyms> (668)
N/A

>  <Target> (668)
NOS

>  <Form> (668)
free base

>  <CAS> (668)
2942-42-9

>  <URL> (668)
https://www.selleckchem.com/products/7-nitroindazole.html

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/02252511162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6481    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    4.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    3.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (669)
712

>  <Formula> (669)
C9H10O5

>  <MolWeight> (669)
198.1727

>  <Cat> (669)
S5550

>  <Name> (669)
Ethyl gallate

>  <Synonyms> (669)
Phyllemblin, gallic acid ethyl ester

>  <Target> (669)
Bcl-2,Caspase

>  <Form> (669)
Ester

>  <CAS> (669)
831-61-8

>  <URL> (669)
https://www.selleckchem.com/products/ethyl-gallate.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (670)
713

>  <Formula> (670)
C16H15N3O3

>  <MolWeight> (670)
297.3086

>  <Cat> (670)
S5903

>  <Name> (670)
JANEX-1

>  <Synonyms> (670)
WHI-P131

>  <Target> (670)
JAK

>  <Form> (670)
Free Base

>  <CAS> (670)
202475-60-3

>  <URL> (670)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6557    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0456    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (671)
714

>  <Formula> (671)
C16H13Br2N3O3

>  <MolWeight> (671)
455.10072

>  <Cat> (671)
S5904

>  <Name> (671)
WHI-P97

>  <Synonyms> (671)
N/A

>  <Target> (671)
JAK

>  <Form> (671)
Free Base

>  <CAS> (671)
211555-05-4

>  <URL> (671)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/02252511162D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    5.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 24  1  0  0  0  0
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 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (672)
715

>  <Formula> (672)
C22H23N5O2

>  <MolWeight> (672)
389.45032

>  <Cat> (672)
S5917

>  <Name> (672)
Solcitinib

>  <Synonyms> (672)
GLPG0778, GSK2586184

>  <Target> (672)
JAK

>  <Form> (672)
Free Base

>  <CAS> (672)
1206163-45-2

>  <URL> (672)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/02252511162D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1249    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3425    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7673    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9798    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1922    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (673)
716

>  <Formula> (673)
C19H33NO2

>  <MolWeight> (673)
307.47082

>  <Cat> (673)
S5950

>  <Name> (673)
Fingolimod

>  <Synonyms> (673)
FTY-720A, FTY-720

>  <Target> (673)
S1P Receptor

>  <Form> (673)
Free Base

>  <CAS> (673)
162359-55-9

>  <URL> (673)
https://www.selleckchem.com/products/fingolimod.html

$$$$

csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.7472    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7472    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3845    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3223    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3223    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1099    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1099    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7431    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7431    5.0652    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1333    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 17 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (674)
717

>  <Formula> (674)
C17H16N4O2S2

>  <MolWeight> (674)
372.46454

>  <Cat> (674)
S7302

>  <Name> (674)
TEPP-46 (ML265)

>  <Synonyms> (674)
CID-44246499, NCGC00186528

>  <Target> (674)
PKM

>  <Form> (674)
Free Base

>  <CAS> (674)
1221186-53-3

>  <URL> (674)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/02252511162D

 38 43  0  0  0  0  0  0  0  0999 V2000
    2.6082    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8207    3.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0331    4.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0331    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    6.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    3.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538    1.6064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0332    3.9699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7625    4.5500    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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  1  7  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 23 24  2  0  0  0  0
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 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  7  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
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 37 31  1  0  0  0  0
 36 38  1  6  0  0  0
M  END
>  <Mol_ID> (675)
718

>  <Formula> (675)
C25H21F3N6O3S

>  <MolWeight> (675)
542.5328496

>  <Cat> (675)
S7965

>  <Name> (675)
PLX8394

>  <Synonyms> (675)
N/A

>  <Target> (675)
Raf

>  <Form> (675)
Free Base

>  <CAS> (675)
1393466-87-9

>  <URL> (675)
http://www.selleckchem.com/products/plx8394.html

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/02252511162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6428    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8571    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0677    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (676)
719

>  <Formula> (676)
C9H6O3

>  <MolWeight> (676)
162.14214

>  <Cat> (676)
S5548

>  <Name> (676)
7-Hydroxy-4-chromone

>  <Synonyms> (676)
7-Hydroxy-4-benzopyrone

>  <Target> (676)
Src

>  <Form> (676)
free base

>  <CAS> (676)
59887-89-7

>  <URL> (676)
https://www.selleckchem.com/products/7-hydroxy-4-chromone.html

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/02252511162D

 63 66  0  0  0  0  0  0  0  0999 V2000
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   19.6189    2.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (677)
720

>  <Formula> (677)
C43H44ClFN4O11S3

>  <MolWeight> (677)
943.4760632

>  <Cat> (677)
S5241

>  <Name> (677)
Lapatinib ditosylate monohydrate

>  <Synonyms> (677)
Lapatinib ditoluenesulfonate monohydrate, Lapatinib tosilate, Lapatinib tosilate hydrate

>  <Target> (677)
HER2

>  <Form> (677)
ditosylate monohydrate

>  <CAS> (677)
388082-78-8

>  <URL> (677)
https://www.selleckchem.com/products/lapatinib-ditosylate-monohydrate.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (678)
721

>  <Formula> (678)
C22H27Cl2N7O2S

>  <MolWeight> (678)
524.46648

>  <Cat> (678)
S5254

>  <Name> (678)
Dasatinib hydrochloride

>  <Synonyms> (678)
BMS-354825 HCl

>  <Target> (678)
Bcr-Abl,kit,Src

>  <Form> (678)
hydrochloride

>  <CAS> (678)
854001-07-3

>  <URL> (678)
https://www.selleckchem.com/products/dasatinib-hydrochloride.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (679)
722

>  <Formula> (679)
C27H32F2N8

>  <MolWeight> (679)
506.5933864

>  <Cat> (679)
S5716

>  <Name> (679)
Abemaciclib (LY2835219)

>  <Synonyms> (679)
LY2835219

>  <Target> (679)
CDK

>  <Form> (679)
free base

>  <CAS> (679)
1231929-97-7

>  <URL> (679)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/02252511162D

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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6  4  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  3 10  1  0  0  0  0
  2 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 16 25  2  0  0  0  0
 20 25  1  0  0  0  0
 26 27  1  0  0  0  0
 23 26  1  0  0  0  0
 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
 15 19  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (680)
723

>  <Formula> (680)
C21H19N3O5

>  <MolWeight> (680)
393.39266

>  <Cat> (680)
S5667

>  <Name> (680)
Fruquintinib (HMPL-013)

>  <Target> (680)
VEGFR

>  <Form> (680)
Tyrosine kinase inhibitor

>  <CAS> (680)
1194506-26-7

>  <URL> (680)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/02252511162D

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.2264    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6513    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6513    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8637    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    8.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9259    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3465    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9589    9.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    5.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    7.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7800    5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  9  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (681)
725

>  <Formula> (681)
C29H37N7O5S

>  <MolWeight> (681)
595.71298

>  <Cat> (681)
S5078

>  <Name> (681)
Osimertinib mesylate

>  <Synonyms> (681)
AZD9291 mesylate

>  <Target> (681)
EGFR

>  <Form> (681)
mesylate

>  <CAS> (681)
1421373-66-1

>  <URL> (681)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.2159    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6409    4.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848    4.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848    1.9505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4077    3.0831    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.1078    4.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1077    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5077    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2077    0.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077    0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3077    1.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6078    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2078    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5078    4.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3080    4.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7080    4.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160    5.5426    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  6  7  2  0  0  0  0
 14 15  1  0  0  0  0
  7 12  1  0  0  0  0
 15 16  2  0  0  0  0
  1  2  1  0  0  0  0
 15 17  1  0  0  0  0
 11  8  1  0  0  0  0
 17 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 19  2  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
  9  6  1  0  0  0  0
 20 21  2  0  0  0  0
 11 12  2  0  0  0  0
 21 22  1  0  0  0  0
  4  5  2  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
  5  1  1  0  0  0  0
 23 24  1  0  0  0  0
  2  3  2  0  0  0  0
 22 25  1  0  0  0  0
  1  6  1  0  0  0  0
 25 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
>  <Mol_ID> (682)
726

>  <Formula> (682)
C19H17N4NaO2S

>  <MolWeight> (682)
388.41865

>  <Cat> (682)
S5502

>  <Name> (682)
Ilaprazole sodium

>  <Synonyms> (682)
IY-81149 sodium

>  <Target> (682)
ATPase,Proton Pump

>  <Form> (682)
Sodium Salt

>  <CAS> (682)
172152-50-0

>  <URL> (682)
http://www.selleckchem.com/products/iiaprazole-sodium.html

$$$$

csChFnd80/02252511162D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    4.8497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    6.4294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (683)
727

>  <Formula> (683)
C16H21Cl2N3

>  <MolWeight> (683)
326.26404

>  <Cat> (683)
S5670

>  <Name> (683)
Chloropyramine hydrochloride

>  <Synonyms> (683)
Halopyramine hydrochloride

>  <Target> (683)
Histamine Receptor

>  <Form> (683)
hydrochloride

>  <CAS> (683)
6170-42-9

>  <URL> (683)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4136    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    2.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261    0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8166    3.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1549    4.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1466    2.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3688    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1614    3.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (684)
729

>  <Formula> (684)
C22H21ClN2O3

>  <MolWeight> (684)
396.86674

>  <Cat> (684)
S5792

>  <Name> (684)
CID 2011756

>  <Synonyms> (684)
N/A

>  <Target> (684)
PKD

>  <Form> (684)
Free Base

>  <CAS> (684)
638156-11-3

>  <URL> (684)
http://www.selleckchem.com/products/cid-2011756.html

$$$$

csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    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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   11.0310    9.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  1  0  0  0  0
 15  1  2  0  0  0  0
  5  2  2  0  0  0  0
 19  2  1  0  0  0  0
  3  9  2  0  0  0  0
  4  3  1  0  0  0  0
  6  3  1  0  0  0  0
 14  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
  6 11  2  0  0  0  0
  8  6  1  0  0  0  0
 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
  9 12  1  0  0  0  0
 18 10  1  0  0  0  0
 11 17  1  0  0  0  0
 17 12  2  0  0  0  0
 13 23  2  0  0  0  0
 16 25  2  0  0  0  0
 24 16  1  0  0  0  0
 20 18  1  0  0  0  0
 28 19  2  0  0  0  0
 26 20  1  0  0  0  0
 27 20  2  0  0  0  0
 23 28  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (685)
730

>  <Formula> (685)
C22H23N5O

>  <MolWeight> (685)
373.45092

>  <Cat> (685)
S5793

>  <Name> (685)
Motesanib (AMG-706)

>  <Synonyms> (685)
N/A

>  <Target> (685)
VEGFR

>  <Form> (685)
Free Base

>  <CAS> (685)
453562-69-1

>  <URL> (685)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0262    2.8354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350    4.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3174    1.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8553    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380   11.2706    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    1.2278    9.8706    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   12.0729    0.6911    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  6  1  0  0  0  0
  1  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 27  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 22  1  0  0  0  0
 26 24  1  0  0  0  0
 25 23  2  0  0  0  0
  5  7  1  0  0  0  0
 19 20  1  0  0  0  0
 13 10  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (686)
731

>  <Formula> (686)
C20H18N2O4S

>  <MolWeight> (686)
382.43292

>  <Cat> (686)
S5807

>  <Name> (686)
HMN-176

>  <Synonyms> (686)
N/A

>  <Target> (686)
PLK

>  <Form> (686)
Free Base

>  <CAS> (686)
173529-10-7

>  <URL> (686)
http://www.selleckchem.com/products/hmn-176.html

$$$$

csChFnd80/02252511162D

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.3150    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8901    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.6777    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1648    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  4 11  2  0  0  0  0
 12 13  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 15 23  1  0  0  0  0
 18 23  2  0  0  0  0
 14 22  1  0  0  0  0
 12 14  1  0  0  0  0
  2 12  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
  3 24  1  0  0  0  0
  7 30  1  0  0  0  0
M  END
>  <Mol_ID> (687)
732

>  <Formula> (687)
C21H16FN7O

>  <MolWeight> (687)
401.3964432

>  <Cat> (687)
S5818

>  <Name> (687)
acalisib (GS-9820)

>  <Synonyms> (687)
CAL-120

>  <Target> (687)
PI3K

>  <Form> (687)
Free Base

>  <CAS> (687)
870281-34-8

>  <URL> (687)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/02252511162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (688)
733

>  <Formula> (688)
C10H10O2

>  <MolWeight> (688)
162.1852

>  <Cat> (688)
S6221

>  <Name> (688)
Methyl cinnamate

>  <Synonyms> (688)
N/A

>  <Target> (688)
AMPK,CaMK,Tyrosinase

>  <Form> (688)
free base

>  <CAS> (688)
103-26-4

>  <URL> (688)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/02252511162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (689)
734

>  <Formula> (689)
C7H9N5

>  <MolWeight> (689)
163.17986

>  <Cat> (689)
S6088

>  <Name> (689)
6-(Dimethylamino)purine

>  <Synonyms> (689)
N,N-Dimethyladenine

>  <Target> (689)
Serine/threonin kinase

>  <Form> (689)
free base

>  <CAS> (689)
938-55-6

>  <URL> (689)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/02252511162D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (690)
735

>  <Formula> (690)
C9H10O4

>  <MolWeight> (690)
182.1733

>  <Cat> (690)
S6338

>  <Name> (690)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (690)
Dihydrocaffeic acid

>  <Target> (690)
Others

>  <Form> (690)
free base

>  <CAS> (690)
1078-61-1

>  <URL> (690)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/02252511162D

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 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <Mol_ID> (691)
736

>  <Formula> (691)
C25H23FN8O2S2

>  <MolWeight> (691)
550.6309232

>  <Cat> (691)
S7564

>  <Name> (691)
SAR125844

>  <Synonyms> (691)
N/A

>  <Target> (691)
c-Met

>  <Form> (691)
free base

>  <CAS> (691)
1116743-46-4

>  <URL> (691)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (692)
737

>  <Formula> (692)
C21H19ClNO4+

>  <MolWeight> (692)
384.83286

>  <Cat> (692)
S1292

>  <Name> (692)
Chelerythrine Chloride (NSC 646662)

>  <Synonyms> (692)
Broussonpapyrine chloride

>  <Target> (692)
PKC

>  <Form> (692)
Chloride

>  <CAS> (692)
3895-92-9

>  <URL> (692)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/02252511162D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
 16 19  1  0  0  0  0
 10 12  1  0  0  0  0
  1  8  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
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 28 38  1  0  0  0  0
  4 27  1  0  0  0  0
M  END
>  <Mol_ID> (693)
738

>  <Formula> (693)
C26H31Cl2N7O3

>  <MolWeight> (693)
560.47544

>  <Cat> (693)
S2183

>  <Name> (693)
Infigratinib (BGJ398)

>  <Synonyms> (693)
NVP-BGJ398

>  <Target> (693)
FGFR

>  <Form> (693)
Free Base

>  <CAS> (693)
872511-34-7

>  <URL> (693)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/02252511162D

 23 27  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (694)
739

>  <Formula> (694)
C19H17N3O

>  <MolWeight> (694)
303.35778

>  <Cat> (694)
S2382

>  <Name> (694)
Evodiamine

>  <Synonyms> (694)
Isoevodiamine

>  <Target> (694)
NF-¦ÊB

>  <Form> (694)
Free Base

>  <CAS> (694)
518-17-2

>  <URL> (694)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (695)
740

>  <Formula> (695)
C23H21N5O3

>  <MolWeight> (695)
415.44454

>  <Cat> (695)
S2780

>  <Name> (695)
I-BET151 (GSK1210151A)

>  <Synonyms> (695)
N/A

>  <Target> (695)
Epigenetic Reader Domain

>  <Form> (695)
Free Base

>  <CAS> (695)
1300031-49-5

>  <URL> (695)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/02252511162D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (696)
741

>  <Formula> (696)
C7H9ClN2

>  <MolWeight> (696)
156.61276

>  <Cat> (696)
S4956

>  <Name> (696)
Benzamidine HCl

>  <Synonyms> (696)
N/A

>  <Target> (696)
Serine/threonin kinase

>  <Form> (696)
HCl

>  <CAS> (696)
1670-14-0

>  <URL> (696)
http://www.selleck.cn/products/benzamidine-hcl.html

$$$$

csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (697)
742

>  <Formula> (697)
C23H26N6O2

>  <MolWeight> (697)
418.49154

>  <Cat> (697)
S6414

>  <Name> (697)
Apilimod (STA-5326)

>  <Synonyms> (697)
STA-5326

>  <Target> (697)
Interleukins,PIKfyve

>  <Form> (697)
Free Base

>  <CAS> (697)
541550-19-0

>  <URL> (697)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/02252511162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 12  9  1  1  0  0  0
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M  END
>  <Mol_ID> (698)
743

>  <Formula> (698)
C25H35N3O2

>  <MolWeight> (698)
409.5643

>  <Cat> (698)
S6418

>  <Name> (698)
PF 429242

>  <Synonyms> (698)
N/A

>  <Target> (698)
S1P Receptor

>  <Form> (698)
Free Base

>  <CAS> (698)
947303-87-9

>  <URL> (698)
http://www.selleck.cn/products/pf429242.html

$$$$

csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (699)
744

>  <Formula> (699)
C23H19NO3

>  <MolWeight> (699)
357.40186

>  <Cat> (699)
S6424

>  <Name> (699)
TAS-301

>  <Synonyms> (699)
N/A

>  <Target> (699)
PKC

>  <Form> (699)
Free Base

>  <CAS> (699)
193620-69-8

>  <URL> (699)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/02252511162D

 28 33  0  0  0  0  0  0  0  0999 V2000
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 20 15  1  0  0  0  0
 16  1  1  0  0  0  0
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 21 22  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
>  <Mol_ID> (700)
745

>  <Formula> (700)
C18H12CrN3O6

>  <MolWeight> (700)
418.30048

>  <Cat> (700)
S6443

>  <Name> (700)
Chromium picolinate

>  <Synonyms> (700)
N/A

>  <Target> (700)
IGF-1R

>  <Form> (700)
Free Base

>  <CAS> (700)
14639-25-9

>  <URL> (700)
http://www.selleck.cn/products/chromium-picolinate.html

$$$$

csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  1  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  9  1  0  0  0  0
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  3 15  1  0  0  0  0
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 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (701)
747

>  <Formula> (701)
C14H14ClFN8

>  <MolWeight> (701)
348.7659632

>  <Cat> (701)
S2162

>  <Name> (701)
AZD1480

>  <Synonyms> (701)
N/A

>  <Target> (701)
JAK

>  <Form> (701)
free base

>  <CAS> (701)
935666-88-9

>  <URL> (701)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/02252511162D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   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
   18.2276    4.2893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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 22 17  1  0  0  0  0
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (702)
748

>  <Formula> (702)
C26H21F3N4O4

>  <MolWeight> (702)
510.4645496

>  <Cat> (702)
S6412

>  <Name> (702)
Altiratinib

>  <Synonyms> (702)
DCC-2701

>  <Target> (702)
c-Met,Tie-2,Trk receptor,VEGFR

>  <Form> (702)
free base

>  <CAS> (702)
1345847-93-9

>  <URL> (702)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/02252511162D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (703)
749

>  <Formula> (703)
C12H12O2

>  <MolWeight> (703)
188.22248

>  <Cat> (703)
S6493

>  <Name> (703)
n-Butylidenephthalide

>  <Synonyms> (703)
(Z)-Butylidenephthalide, 3-Butylidenephthalide, Butylidenephthalide

>  <Target> (703)
Others

>  <Form> (703)
free base

>  <CAS> (703)
551-08-6

>  <URL> (703)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/02252511162D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (704)
751

>  <Formula> (704)
C8H7BrO3

>  <MolWeight> (704)
231.04338

>  <Cat> (704)
S6495

>  <Name> (704)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (704)
N/A

>  <Target> (704)
IRE1

>  <Form> (704)
free base

>  <CAS> (704)
20035-41-0

>  <URL> (704)
http://www.selleck.cn/products/6-bromo-2-hydroxy-3-methoxybenzaldehyde.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (705)
752

>  <Formula> (705)
C24H38N2O4

>  <MolWeight> (705)
418.56952

>  <Cat> (705)
S6496

>  <Name> (705)
Genz-123346 free base

>  <Synonyms> (705)
N/A

>  <Target> (705)
Prostaglandin Receptor

>  <Form> (705)
free base

>  <CAS> (705)
491833-30-8

>  <URL> (705)
http://www.selleck.cn/products/genz-123346-free-base.html

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csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (706)
753

>  <Formula> (706)
C13H13NO3S

>  <MolWeight> (706)
263.31222

>  <Cat> (706)
S6497

>  <Name> (706)
SMI-16a

>  <Synonyms> (706)
N/A

>  <Target> (706)
Pim

>  <Form> (706)
free base

>  <CAS> (706)
587852-28-6

>  <URL> (706)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (707)
754

>  <Formula> (707)
C19H14F3N3O3

>  <MolWeight> (707)
389.3279696

>  <Cat> (707)
S6498

>  <Name> (707)
T56-LIMKi

>  <Synonyms> (707)
N/A

>  <Target> (707)
LIM kinase

>  <Form> (707)
free base

>  <CAS> (707)
924473-59-6

>  <URL> (707)
http://www.selleck.cn/products/t56-limki.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (708)
755

>  <Formula> (708)
C16H13ClN4

>  <MolWeight> (708)
296.75422

>  <Cat> (708)
S6499

>  <Name> (708)
PF-6260933

>  <Synonyms> (708)
PF-06260933

>  <Target> (708)
MAP4K

>  <Form> (708)
free base

>  <CAS> (708)
1811510-56-1

>  <URL> (708)
http://www.selleck.cn/products/pf-6260933.html

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csChFnd80/02252511162D

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>  <Mol_ID> (709)
756

>  <Formula> (709)
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>  <MolWeight> (709)
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>  <Cat> (709)
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>  <Name> (709)
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>  <Synonyms> (709)
N/A

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Src

>  <Form> (709)
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>  <CAS> (709)
518058-84-9

>  <URL> (709)
http://www.selleck.cn/products/kx1-004.html

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    4.0412    1.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    2.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3801    3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926    2.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8051    3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8051    4.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926    5.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3801    4.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1365    2.8176    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9594    3.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1365    5.0829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262    2.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7888    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1463    2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3548    3.9504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0524    5.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4479    5.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3548    6.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1479    6.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5479    6.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2479    5.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5479    3.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1479    3.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 16  6  1  0  0  0  0
 20  5  1  0  0  0  0
 18 22  1  0  0  0  0
 22  1  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 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 25  2  0  0  0  0
M  END
>  <Mol_ID> (710)
757

>  <Formula> (710)
C25H25N3O2S

>  <MolWeight> (710)
431.5499

>  <Cat> (710)
S6501

>  <Name> (710)
NVP 231

>  <Synonyms> (710)
N/A

>  <Target> (710)
Caspase,Others

>  <Form> (710)
free base

>  <CAS> (710)
362003-83-6

>  <URL> (710)
http://www.selleck.cn/products/nvp-231.html

$$$$

csChFnd80/02252511162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0500    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583    0.7048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2230    3.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0461    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2230    0.9697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8915    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8915    2.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6790    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4666    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4666    2.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6790    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    3.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  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
  9 13  2  0  0  0  0
  8 10  2  0  0  0  0
  4 11  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 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  1  0  0  0  0
 16 21  1  0  0  0  0
 19 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 14 24  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (711)
758

>  <Formula> (711)
C22H19ClN2O6S

>  <MolWeight> (711)
474.91406

>  <Cat> (711)
S6503

>  <Name> (711)
LX2343

>  <Synonyms> (711)
N/A

>  <Target> (711)
BACE

>  <Form> (711)
free base

>  <CAS> (711)
333745-53-2

>  <URL> (711)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/02252511162D

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.6993    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4868    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1861    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1861    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3984    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6108    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0997    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.8998    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 18  1  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  6  0  0  0
 25 26  1  0  0  0  0
 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
 28 33  2  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 29 36  1  0  0  0  0
 26 28  1  0  0  0  0
  3 25  1  0  0  0  0
  4 37  1  0  0  0  0
M  END
>  <Mol_ID> (712)
759

>  <Formula> (712)
C25H25Cl2FN6O3

>  <MolWeight> (712)
547.4088032

>  <Cat> (712)
S6505

>  <Name> (712)
X-376

>  <Synonyms> (712)
N/A

>  <Target> (712)
ALK

>  <Form> (712)
free base

>  <CAS> (712)
1365267-27-1

>  <URL> (712)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/02252511162D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 16  2  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (713)
760

>  <Formula> (713)
C16H15N3O2

>  <MolWeight> (713)
281.3092

>  <Cat> (713)
S6506

>  <Name> (713)
Compound 401

>  <Synonyms> (713)
N/A

>  <Target> (713)
DNA-PK,mTOR

>  <Form> (713)
free base

>  <CAS> (713)
168425-64-7

>  <URL> (713)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/02252511162D

 36 37  0  0  0  0  0  0  0  0999 V2000
   12.7627    1.9478    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627    0.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627    3.3478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    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
    2.4249    5.6000    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
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    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    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  6 12  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 30 35  2  0  0  0  0
 33 36  1  0  0  0  0
 29 30  1  0  0  0  0
 25 27  1  0  0  0  0
 24 25  1  0  0  0  0
 19 24  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (714)
761

>  <Formula> (714)
C24H28ClN2O7PS

>  <MolWeight> (714)
554.980081

>  <Cat> (714)
S6507

>  <Name> (714)
KN-92 phosphate

>  <Synonyms> (714)
N/A

>  <Target> (714)
CaMK

>  <Form> (714)
phosphate

>  <CAS> (714)
1135280-28-2

>  <URL> (714)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/02252511162D

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.9492    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2244    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.3124    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 32  1  0  0  0  0
 29 30  1  0  0  0  0
 26 29  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (715)
762

>  <Formula> (715)
C24H26N4O3S

>  <MolWeight> (715)
450.55324

>  <Cat> (715)
S6508

>  <Name> (715)
Mitapivat

>  <Synonyms> (715)
AG-348

>  <Target> (715)
PKM

>  <Form> (715)
free base

>  <CAS> (715)
1260075-17-9

>  <URL> (715)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/02252511162D

 22 22  0  0  0  0  0  0  0  0999 V2000
   10.0012    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    2.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    4.1906    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2141    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    5.5906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    0.7057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    6.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4157    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    7.6838    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4157    7.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2058    8.3806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7855    8.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.5535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 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
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (716)
764

>  <Formula> (716)
C14H19Cl2N3O2S

>  <MolWeight> (716)
364.29056

>  <Cat> (716)
S6510

>  <Name> (716)
Iso-H7 dihydrochloride

>  <Synonyms> (716)
N/A

>  <Target> (716)
Phosphorylase

>  <Form> (716)
dihydrochloride

>  <CAS> (716)
140663-38-3

>  <URL> (716)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/02252511162D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.3124    4.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    2.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9224    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1620    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1257    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3471    0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (717)
765

>  <Formula> (717)
C13H19NO2

>  <MolWeight> (717)
221.29546

>  <Cat> (717)
S6511

>  <Name> (717)
RIPA-56

>  <Synonyms> (717)
N/A

>  <Target> (717)
RIP kinase

>  <Form> (717)
free base

>  <CAS> (717)
1956370-21-0

>  <URL> (717)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/02252511162D

 21 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9135    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    5.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9151    6.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3415    6.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    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  1  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  3  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
  2 13  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (718)
766

>  <Formula> (718)
C16H23NO4

>  <MolWeight> (718)
293.35812

>  <Cat> (718)
S6512

>  <Name> (718)
Defensamide (MHP)

>  <Synonyms> (718)
N/A

>  <Target> (718)
SPHK

>  <Form> (718)
free base

>  <CAS> (718)
1104874-94-3

>  <URL> (718)
http://www.selleck.cn/products/defensamide.html

$$$$

csChFnd80/02252511162D

 38 43  0  0  0  0  0  0  0  0999 V2000
    1.8830    8.7327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0533   10.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2730    2.9662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3063    5.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2532    0.9865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3533    9.8854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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c-RET,VEGFR

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211555-08-7

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http://www.selleck.cn/products/whi-p180.html

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C16H15N3O2

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N/A

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JAK

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free base

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21561-09-1

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http://www.selleck.cn/products/whi-p258.html

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JAK2 Inhibitor V, Z3

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JAK

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free base

>  <CAS> (725)
195371-52-9

>  <URL> (725)
http://www.selleck.cn/products/nsc-42834.html

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C14H9F4N5O4S

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Ras

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free base

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454453-49-7

>  <URL> (726)
http://www.selleck.cn/products/kobe2602.html

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N/A

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free base

>  <CAS> (727)
959551-10-1

>  <URL> (727)
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>  <URL> (731)
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N/A

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EGFR,PI3K

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free base

>  <CAS> (733)
1952236-05-3

>  <URL> (733)
http://www.selleck.cn/products/mtx-211.html

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csChFnd80/02252511162D

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785

>  <Formula> (734)
C19H16BrFN6O2

>  <MolWeight> (734)
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>  <Cat> (734)
S6543

>  <Name> (734)
ZD-4190

>  <Synonyms> (734)
N/A

>  <Target> (734)
VEGFR

>  <Form> (734)
free base

>  <CAS> (734)
413599-62-9

>  <URL> (734)
http://www.selleck.cn/products/zd-4190.html

$$$$

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>  <Formula> (735)
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>  <Cat> (735)
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N/A

>  <Target> (735)
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free base

>  <CAS> (735)
1454585-06-8

>  <URL> (735)
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787

>  <Formula> (736)
C28H28F3N5O4

>  <MolWeight> (736)
555.5482296

>  <Cat> (736)
S6545

>  <Name> (736)
BI-4464

>  <Synonyms> (736)
N/A

>  <Target> (736)
FAK,Target Protein Ligand

>  <Form> (736)
free base

>  <CAS> (736)
1227948-02-8

>  <URL> (736)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 27  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 18  2  0  0  0  0
 10 16  1  0  0  0  0
 10 19  1  0  0  0  0
 10 21  2  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 14 23  1  0  0  0  0
 18 22  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (737)
788

>  <Formula> (737)
C22H20N2O3

>  <MolWeight> (737)
360.4058

>  <Cat> (737)
S6554

>  <Name> (737)
ML365

>  <Synonyms> (737)
N/A

>  <Target> (737)
Potassium Channel

>  <Form> (737)
free base

>  <CAS> (737)
947914-18-3

>  <URL> (737)
http://www.selleck.cn/products/ml365.html

$$$$

csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    2.1002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4830    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9078    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5451    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5451    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    2.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
  1 24  1  0  0  0  0
  2 26  1  0  0  0  0
 14 28  2  0  0  0  0
 28 13  1  0  0  0  0
M  END
>  <Mol_ID> (738)
789

>  <Formula> (738)
C22H19N3O3

>  <MolWeight> (738)
373.40456

>  <Cat> (738)
S6567

>  <Name> (738)
Src Inhibitor 1

>  <Synonyms> (738)
N/A

>  <Target> (738)
Src

>  <Form> (738)
free base

>  <CAS> (738)
179248-59-0

>  <URL> (738)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/02252511162D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (739)
790

>  <Formula> (739)
C19H20N4O3

>  <MolWeight> (739)
352.3871

>  <Cat> (739)
S6571

>  <Name> (739)
BQR695

>  <Synonyms> (739)
NVP-BQR695

>  <Target> (739)
PI4K

>  <Form> (739)
free base

>  <CAS> (739)
1513879-21-4

>  <URL> (739)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2654    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1442    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0251    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (740)
791

>  <Formula> (740)
C22H18ClN5O2

>  <MolWeight> (740)
419.86362

>  <Cat> (740)
S6574

>  <Name> (740)
KDU691

>  <Synonyms> (740)
N/A

>  <Target> (740)
PI4K

>  <Form> (740)
free base

>  <CAS> (740)
1513879-19-0

>  <URL> (740)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
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    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 31  1  0  0  0  0
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M  END
>  <Mol_ID> (741)
792

>  <Formula> (741)
C20H25F3N6O3

>  <MolWeight> (741)
454.4461096

>  <Cat> (741)
S6577

>  <Name> (741)
PKC-theta inhibitor

>  <Synonyms> (741)
N/A

>  <Target> (741)
PKC

>  <Form> (741)
free base

>  <CAS> (741)
736048-65-0

>  <URL> (741)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/02252511162D

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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (742)
793

>  <Formula> (742)
C16H16F3N5

>  <MolWeight> (742)
335.3269496

>  <Cat> (742)
S6578

>  <Name> (742)
Longdaysin

>  <Synonyms> (742)
N/A

>  <Target> (742)
Casein Kinase

>  <Form> (742)
free base

>  <CAS> (742)
1353867-91-0

>  <URL> (742)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (743)
794

>  <Formula> (743)
C20H30N4O2

>  <MolWeight> (743)
358.4778

>  <Cat> (743)
S1024

>  <Name> (743)
LTI-291

>  <Synonyms> (743)
N/A

>  <Target> (743)
Others

>  <Form> (743)
Free Base

>  <CAS> (743)
1919820-28-2

>  <URL> (743)
http://www.selleck.cn/products/lti-291.html

$$$$
P505-15.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (744)
795

>  <Formula> (744)
C19H24ClN9O

>  <MolWeight> (744)
429.90656

>  <Cat> (744)
S8032

>  <Name> (744)
PRT062607 (P505-15) HCl

>  <Synonyms> (744)
BIIB057, PRT-2607

>  <Target> (744)
FAK,FLT3,Mixed Lineage Kinase,PAK,Pyk2,Src,Syk

>  <Form> (744)
Hydrochloride

>  <CAS> (744)
1370261-97-4

>  <URL> (744)
http://selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
p276-00.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (745)
796

>  <Formula> (745)
C21H21Cl2NO5

>  <MolWeight> (745)
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>  <Cat> (745)
S8058

>  <Name> (745)
Riviciclib hydrochloride (P276-00)

>  <Synonyms> (745)
N/A

>  <Target> (745)
Apoptosis related,CDK

>  <Form> (745)
hydrochloride

>  <CAS> (745)
920113-03-7

>  <URL> (745)
http://selleckchem.com/products/p276-00.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (746)
797

>  <Formula> (746)
C11H6F3NO2S

>  <MolWeight> (746)
273.2310496

>  <Cat> (746)
S8005

>  <Name> (746)
SMI-4a

>  <Synonyms> (746)
TCS PIM-1 4a

>  <Target> (746)
Pim

>  <Form> (746)
free base

>  <CAS> (746)
438190-29-5

>  <URL> (746)
http://selleckchem.com/products/smi-4a.html

$$$$
VE-821.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (747)
798

>  <Formula> (747)
C18H16N4O3S

>  <MolWeight> (747)
368.40964

>  <Cat> (747)
S8007

>  <Name> (747)
VE-821

>  <Synonyms> (747)
N/A

>  <Target> (747)
ATM/ATR

>  <Form> (747)
Free Base

>  <CAS> (747)
1232410-49-9

>  <URL> (747)
http://selleckchem.com/products/ve-821.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (748)
800

>  <Formula> (748)
C24H22F3N5O5

>  <MolWeight> (748)
517.4571896

>  <Cat> (748)
S8015

>  <Name> (748)
Agerafenib (RXDX-105)

>  <Synonyms> (748)
CEP-32496

>  <Target> (748)
c-Kit,c-RET,CSF-1R,PDGFR,Raf

>  <Form> (748)
free base

>  <CAS> (748)
1188910-76-0

>  <URL> (748)
http://selleckchem.com/products/cep-32496.html

$$$$
GW 9508.cdx
csChFnd80/02252511162D

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>  <Formula> (749)
C22H21NO3

>  <MolWeight> (749)
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>  <Cat> (749)
S8014

>  <Name> (749)
GW9508

>  <Synonyms> (749)
N/A

>  <Target> (749)
GPR

>  <Form> (749)
free base

>  <CAS> (749)
885101-89-3

>  <URL> (749)
http://selleckchem.com/products/gw9508.html

$$$$
AZD5363.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (750)
802

>  <Formula> (750)
C21H25ClN6O2

>  <MolWeight> (750)
428.9152

>  <Cat> (750)
S8019

>  <Name> (750)
Capivasertib (AZD5363)

>  <Synonyms> (750)
N/A

>  <Target> (750)
Akt

>  <Form> (750)
free base

>  <CAS> (750)
1143532-39-1

>  <URL> (750)
http://selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/02252511162D

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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (751)
803

>  <Formula> (751)
C16H14N2O2

>  <MolWeight> (751)
266.29456

>  <Cat> (751)
S8024

>  <Name> (751)
Tyrphostin AG 1296

>  <Synonyms> (751)
AG 1296

>  <Target> (751)
Apoptosis related,c-Kit,FGFR,PDGFR

>  <Form> (751)
free base

>  <CAS> (751)
146535-11-7

>  <URL> (751)
http://selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (752)
804

>  <Formula> (752)
C18H20N2O4S

>  <MolWeight> (752)
360.4274

>  <Cat> (752)
S8023

>  <Name> (752)
TCS 359

>  <Synonyms> (752)
N/A

>  <Target> (752)
FLT3

>  <Form> (752)
free base

>  <CAS> (752)
301305-73-7

>  <URL> (752)
http://selleckchem.com/products/tcs-359.html

$$$$
Necrostatin-1.cdx
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (753)
805

>  <Formula> (753)
C13H13N3OS

>  <MolWeight> (753)
259.32682

>  <Cat> (753)
S8037

>  <Name> (753)
Necrostatin-1

>  <Synonyms> (753)
Nec-1

>  <Target> (753)
Apoptosis related,Autophagy,IDO/TDO,RIP kinase,TNF-alpha

>  <Form> (753)
free base

>  <CAS> (753)
4311-88-0

>  <URL> (753)
http://selleckchem.com/products/necrostatin-1.html

$$$$
GW2580.cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (754)
806

>  <Formula> (754)
C20H22N4O3

>  <MolWeight> (754)
366.41368

>  <Cat> (754)
S8042

>  <Name> (754)
GW2580

>  <Synonyms> (754)
SC-203877

>  <Target> (754)
CSF-1R

>  <Form> (754)
free base

>  <CAS> (754)
870483-87-7

>  <URL> (754)
http://selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/02252511162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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807

>  <Formula> (755)
C15H12O5

>  <MolWeight> (755)
272.25278

>  <Cat> (755)
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>  <Name> (755)
Butein

>  <Synonyms> (755)
N/A

>  <Target> (755)
EGFR

>  <Form> (755)
free base

>  <CAS> (755)
487-52-5

>  <URL> (755)
http://selleckchem.com/products/butein.html

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>  <Mol_ID> (756)
808

>  <Formula> (756)
C24H32N6O3

>  <MolWeight> (756)
452.54928

>  <Cat> (756)
S8040

>  <Name> (756)
GDC-0349

>  <Synonyms> (756)
RG-7603

>  <Target> (756)
mTOR

>  <Form> (756)
free base

>  <CAS> (756)
1207360-89-1

>  <URL> (756)
http://selleckchem.com/products/gdc-0349.html

$$$$
S1037.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (757)
809

>  <Formula> (757)
C25H52NO4P

>  <MolWeight> (757)
461.658441

>  <Cat> (757)
S1037

>  <Name> (757)
Perifosine (KRX-0401)

>  <Synonyms> (757)
NSC639966, D21266

>  <Target> (757)
Akt

>  <Form> (757)
free base

>  <CAS> (757)
157716-52-4

>  <URL> (757)
http://selleckchem.com/products/Perifosine.html

$$$$

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>  <Mol_ID> (758)
810

>  <Formula> (758)
C25H33FN6O3S

>  <MolWeight> (758)
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>  <Cat> (758)
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>  <Name> (758)
Ralimetinib (LY2228820) dimesylate

>  <Synonyms> (758)
N/A

>  <Target> (758)
p38 MAPK

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dimesylate

>  <CAS> (758)
862507-23-1

>  <URL> (758)
http://selleckchem.com/products/LY2228820.html

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M  END
>  <Mol_ID> (759)
811

>  <Formula> (759)
C20H22ClN7O

>  <MolWeight> (759)
411.88798

>  <Cat> (759)
S8666

>  <Name> (759)
Elimusertib (BAY-1895344) hydrochloride

>  <Synonyms> (759)
BAY-1895344 HCl

>  <Target> (759)
ATM/ATR

>  <Form> (759)
hydrochloride

>  <CAS> (759)
1876467-74-1(free base)

>  <URL> (759)
https://www.selleckchem.com/products/bay-1895344-hcl.html

$$$$
bms-345541.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (760)
814

>  <Formula> (760)
C14H17N5

>  <MolWeight> (760)
255.31828

>  <Cat> (760)
S8044

>  <Name> (760)
BMS-345541

>  <Synonyms> (760)
N/A

>  <Target> (760)
I¦ÊB/IKK

>  <Form> (760)
free base

>  <CAS> (760)
445430-58-0

>  <URL> (760)
http://selleckchem.com/products/bms-345541.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (761)
815

>  <Formula> (761)
C28H32N4O3

>  <MolWeight> (761)
472.57868

>  <Cat> (761)
S8057

>  <Name> (761)
Pacritinib (SB1518)

>  <Synonyms> (761)
N/A

>  <Target> (761)
FLT3,JAK

>  <Form> (761)
free base

>  <CAS> (761)
937272-79-2

>  <URL> (761)
http://selleckchem.com/products/pacritinib-sb1518.html

$$$$
ASP3026   structure.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (762)
816

>  <Formula> (762)
C29H40N8O3S

>  <MolWeight> (762)
580.7447

>  <Cat> (762)
S8054

>  <Name> (762)
ASP3026

>  <Synonyms> (762)
N/A

>  <Target> (762)
ALK

>  <Form> (762)
free base

>  <CAS> (762)
1097917-15-1

>  <URL> (762)
http://selleckchem.com/products/asp3026.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (763)
817

>  <Formula> (763)
C24H30ClN7O2

>  <MolWeight> (763)
483.9937

>  <Cat> (763)
S1116

>  <Name> (763)
Palbociclib (PD-0332991) HCl

>  <Synonyms> (763)
N/A

>  <Target> (763)
CDK

>  <Form> (763)
Hydrochloride

>  <CAS> (763)
827022-32-2

>  <URL> (763)
http://selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (764)
818

>  <Formula> (764)
C26H35N7O6S

>  <MolWeight> (764)
573.6644

>  <Cat> (764)
S1579

>  <Name> (764)
Palbociclib (PD0332991) Isethionate

>  <Synonyms> (764)
N/A

>  <Target> (764)
CDK

>  <Form> (764)
Isethionate

>  <CAS> (764)
827022-33-3

>  <URL> (764)
http://selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (765)
819

>  <Formula> (765)
C21H21F3IN3O2

>  <MolWeight> (765)
531.3100196

>  <Cat> (765)
S8041

>  <Name> (765)
Cobimetinib (GDC-0973)

>  <Synonyms> (765)
RG7420,XL518

>  <Target> (765)
Apoptosis related,MEK

>  <Form> (765)
free base

>  <CAS> (765)
934660-93-2

>  <URL> (765)
http://selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
Radotinib (IY-5511).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (766)
820

>  <Formula> (766)
C27H21F3N8O

>  <MolWeight> (766)
530.5038496

>  <Cat> (766)
S8134

>  <Name> (766)
Radotinib

>  <Synonyms> (766)
IY-5511

>  <Target> (766)
Bcr-Abl

>  <Form> (766)
free base

>  <CAS> (766)
926037-48-1

>  <URL> (766)
http://selleckchem.com/products/radotinib.html

$$$$
K03861.cdx
csChFnd80/02252511162D

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853299-07-7

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GNF-7.cdx
csChFnd80/02252511162D

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GNF-7

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N/A

>  <Target> (768)
Bcr-Abl

>  <Form> (768)
free base

>  <CAS> (768)
839706-07-9

>  <URL> (768)
http://selleckchem.com/products/gnf-7.html

$$$$
Mirin.cdx
csChFnd80/02252511162D

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M  END
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Mirin

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N/A

>  <Target> (769)
ATM/ATR

>  <Form> (769)
free base

>  <CAS> (769)
1198097-97-0

>  <URL> (769)
http://selleckchem.com/products/mirin.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/02252511162D

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C19H27N5O6S

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S8195

>  <Name> (770)
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PF-03394197

>  <Target> (770)
JAK

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maleate

>  <CAS> (770)
1640292-55-2

>  <URL> (770)
http://selleckchem.com/products/oclacitinib-maleate.html

$$$$
Acalabrutinib.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (771)
828

>  <Formula> (771)
C26H23N7O2

>  <MolWeight> (771)
465.50652

>  <Cat> (771)
S8116

>  <Name> (771)
Acalabrutinib (ACP-196)

>  <Synonyms> (771)
N/A

>  <Target> (771)
BTK

>  <Form> (771)
free base

>  <CAS> (771)
1420477-60-6

>  <URL> (771)
http://selleckchem.com/products/acalabrutinib.html

$$$$
PD0166285.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (772)
829

>  <Formula> (772)
C26H27Cl2N5O2

>  <MolWeight> (772)
512.43088

>  <Cat> (772)
S8148

>  <Name> (772)
PD0166285

>  <Synonyms> (772)
N/A

>  <Target> (772)
Apoptosis related,Chk,Wee1

>  <Form> (772)
free base

>  <CAS> (772)
185039-89-8

>  <URL> (772)
http://selleckchem.com/products/pd0166285.html

$$$$
BMS-582949.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (773)
830

>  <Formula> (773)
C22H26N6O2

>  <MolWeight> (773)
406.48084

>  <Cat> (773)
S8124

>  <Name> (773)
BMS-582949

>  <Synonyms> (773)
PS540446

>  <Target> (773)
p38 MAPK

>  <Form> (773)
free base

>  <CAS> (773)
623152-17-0

>  <URL> (773)
http://selleckchem.com/products/bms-582949.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (774)
831

>  <Formula> (774)
C22H20N4O

>  <MolWeight> (774)
356.4204

>  <Cat> (774)
S1058

>  <Name> (774)
BI-1347

>  <Synonyms> (774)
N/A

>  <Target> (774)
CDK

>  <Form> (774)
Free Base

>  <CAS> (774)
2163056-91-3

>  <URL> (774)
http://www.selleck.cn/products/bi-1347.html

$$$$
BI-78D3.cdx
csChFnd80/02252511162D

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C13H9N5O5S2

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S8201

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BI-78D3

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N/A

>  <Target> (775)
JNK

>  <Form> (775)
free base

>  <CAS> (775)
883065-90-5

>  <URL> (775)
http://selleckchem.com/products/bi-78d3.html

$$$$
IC261.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (776)
833

>  <Formula> (776)
C18H17NO4

>  <MolWeight> (776)
311.33188

>  <Cat> (776)
S8237

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IC261

>  <Synonyms> (776)
SU-5607

>  <Target> (776)
Casein Kinase

>  <Form> (776)
free base

>  <CAS> (776)
186611-52-9

>  <URL> (776)
http://selleckchem.com/products/ic261.html

$$$$
GSK481.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (777)
834

>  <Formula> (777)
C21H19N3O4

>  <MolWeight> (777)
377.39326

>  <Cat> (777)
S8169

>  <Name> (777)
GSK481

>  <Synonyms> (777)
N/A

>  <Target> (777)
RIP kinase

>  <Form> (777)
free base

>  <CAS> (777)
1622849-58-4

>  <URL> (777)
http://selleckchem.com/products/gsk481.html

$$$$
AMG337.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (778)
835

>  <Formula> (778)
C23H22FN7O3

>  <MolWeight> (778)
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>  <Cat> (778)
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>  <Name> (778)
AMG 337

>  <Synonyms> (778)
N/A

>  <Target> (778)
c-Met

>  <Form> (778)
free base

>  <CAS> (778)
1173699-31-4

>  <URL> (778)
http://selleckchem.com/products/amg-337.html

$$$$
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M  END
>  <Mol_ID> (779)
836

>  <Formula> (779)
C19H13NO4

>  <MolWeight> (779)
319.31082

>  <Cat> (779)
S8289

>  <Name> (779)
NQDI-1

>  <Synonyms> (779)
N/A

>  <Target> (779)
ASK

>  <Form> (779)
free base

>  <CAS> (779)
175026-96-7

>  <URL> (779)
http://selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
csChFnd80/02252511162D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (780)
837

>  <Formula> (780)
C15H11ClF3N5O4S

>  <MolWeight> (780)
449.7921496

>  <Cat> (780)
S8303

>  <Name> (780)
Kobe0065

>  <Synonyms> (780)
N/A

>  <Target> (780)
Ras

>  <Form> (780)
free base

>  <CAS> (780)
436133-68-5

>  <URL> (780)
http://selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/02252511162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
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 34  7  1  0  0  0  0
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M  END
>  <Mol_ID> (781)
838

>  <Formula> (781)
C26H26N6O2S

>  <MolWeight> (781)
486.58864

>  <Cat> (781)
S8294

>  <Name> (781)
Olmutinib (BI 1482694)

>  <Synonyms> (781)
HM61713

>  <Target> (781)
BTK,EGFR

>  <Form> (781)
free base

>  <CAS> (781)
1353550-13-6

>  <URL> (781)
http://selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
5-Iodotubercidin.cdx
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (782)
839

>  <Formula> (782)
C11H13IN4O4

>  <MolWeight> (782)
392.14979

>  <Cat> (782)
S8314

>  <Name> (782)
5-Iodotubercidin

>  <Synonyms> (782)
NSC 113939, 5-ITu

>  <Target> (782)
Adenosine Kinase

>  <Form> (782)
free base

>  <CAS> (782)
24386-93-4

>  <URL> (782)
http://selleckchem.com/products/5-iodotubercidin.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (783)
840

>  <Formula> (783)
C15H10O4

>  <MolWeight> (783)
254.2375

>  <Cat> (783)
S8319

>  <Name> (783)
7,8-Dihydroxyflavone

>  <Synonyms> (783)
7,8-DHF

>  <Target> (783)
Trk receptor

>  <Form> (783)
free base

>  <CAS> (783)
38183-03-8

>  <URL> (783)
http://selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/02252511162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (784)
841

>  <Formula> (784)
C11H10N2O2

>  <MolWeight> (784)
202.2093

>  <Cat> (784)
S8321

>  <Name> (784)
MLR-1023

>  <Synonyms> (784)
Tolimidone, CP-26154

>  <Target> (784)
Src

>  <Form> (784)
free base

>  <CAS> (784)
41964-07-2

>  <URL> (784)
http://selleckchem.com/products/mlr-1023.html

$$$$
LY3023414.cdx
csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (785)
842

>  <Formula> (785)
C23H26N4O3

>  <MolWeight> (785)
406.47754

>  <Cat> (785)
S8322

>  <Name> (785)
Samotolisib (LY3023414)

>  <Synonyms> (785)
GTPL8918

>  <Target> (785)
DNA-PK,mTOR,PI3K

>  <Form> (785)
free base

>  <CAS> (785)
1386874-06-1

>  <URL> (785)
http://selleckchem.com/products/ly3023414.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/02252511162D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (786)
843

>  <Formula> (786)
C24H24FN7O

>  <MolWeight> (786)
445.4920632

>  <Cat> (786)
S8292

>  <Name> (786)
Selonsertib (GS-4997)

>  <Synonyms> (786)
N/A

>  <Target> (786)
ASK

>  <Form> (786)
free base

>  <CAS> (786)
1448428-04-3

>  <URL> (786)
http://selleckchem.com/products/selonsertib-gs-4997.html

$$$$
VO-Ohpic.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (787)
844

>  <Formula> (787)
C12H15N2O11V

>  <MolWeight> (787)
414.1958

>  <Cat> (787)
S8174

>  <Name> (787)
VO-Ohpic trihydrate

>  <Synonyms> (787)
N/A

>  <Target> (787)
PTEN

>  <Form> (787)
trihydrate

>  <CAS> (787)
476310-60-8

>  <URL> (787)
http://selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (788)
845

>  <Formula> (788)
C19H14FN3O3S

>  <MolWeight> (788)
383.3961632

>  <Cat> (788)
S8242

>  <Name> (788)
EAI045

>  <Synonyms> (788)
N/A

>  <Target> (788)
EGFR

>  <Form> (788)
free base

>  <CAS> (788)
1942114-09-1

>  <URL> (788)
http://selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/02252511162D

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 10  9  1  0  0  0  0
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  3 14  1  0  0  0  0
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (789)
846

>  <Formula> (789)
C16H16O5

>  <MolWeight> (789)
288.29524

>  <Cat> (789)
S8279

>  <Name> (789)
Shikonin (C.I. 75535)

>  <Synonyms> (789)
Anchusin, Anchusa acid, Alkanna Red, Isoarnebin 4, NSC 252844

>  <Target> (789)
Anti-infection,Chloride Channel,COVID-19,NF-¦ÊB,PKM,Proteasome,TNF-alpha

>  <Form> (789)
free base

>  <CAS> (789)
54952-43-1

>  <URL> (789)
http://selleckchem.com/products/shikonin.html

$$$$
Necrosulfonamide.cdx
csChFnd80/02252511162D

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    9.0903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1903    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2132    0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5447    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3927    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 24 19  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 17 27  2  0  0  0  0
 17 28  2  0  0  0  0
 15 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (790)
847

>  <Formula> (790)
C18H15N5O6S2

>  <MolWeight> (790)
461.4716

>  <Cat> (790)
S8251

>  <Name> (790)
Necrosulfonamide

>  <Synonyms> (790)
N/A

>  <Target> (790)
Mixed Lineage Kinase

>  <Form> (790)
free base

>  <CAS> (790)
1360614-48-7

>  <URL> (790)
http://selleckchem.com/products/necrosulfonamide.html

$$$$
WNK463.cdx
csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (791)
848

>  <Formula> (791)
C21H24F3N7O2

>  <MolWeight> (791)
463.4561696

>  <Cat> (791)
S8358

>  <Name> (791)
WNK463

>  <Synonyms> (791)
N/A

>  <Target> (791)
Serine/threonin kinase

>  <Form> (791)
free base

>  <CAS> (791)
2012607-27-9

>  <URL> (791)
http://selleckchem.com/products/wnk463.html

$$$$
APS-2-79.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (792)
849

>  <Formula> (792)
C23H22ClN3O3

>  <MolWeight> (792)
423.89208

>  <Cat> (792)
S8355

>  <Name> (792)
APS-2-79 HCl

>  <Synonyms> (792)
N/A

>  <Target> (792)
MEK

>  <Form> (792)
hydrochloride

>  <CAS> (792)
2002381-31-7

>  <URL> (792)
http://selleckchem.com/products/aps-2-79.html

$$$$
NSC228155.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (793)
850

>  <Formula> (793)
C11H6N4O4S

>  <MolWeight> (793)
290.25474

>  <Cat> (793)
S8312

>  <Name> (793)
NSC228155

>  <Synonyms> (793)
N/A

>  <Target> (793)
EGFR

>  <Form> (793)
free base

>  <CAS> (793)
113104-25-9

>  <URL> (793)
http://selleckchem.com/products/nsc228155.html

$$$$
Deguelin.cdx
csChFnd80/02252511162D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7 25  2  0  0  0  0
 17 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (794)
851

>  <Formula> (794)
C23H22O6

>  <MolWeight> (794)
394.41718

>  <Cat> (794)
S8132

>  <Name> (794)
Deguelin

>  <Synonyms> (794)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (794)
Akt,PI3K

>  <Form> (794)
free base

>  <CAS> (794)
522-17-8

>  <URL> (794)
http://selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    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
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    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
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  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
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 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
M  END
>  <Mol_ID> (795)
852

>  <Formula> (795)
C22H15F3N4O2

>  <MolWeight> (795)
424.3753096

>  <Cat> (795)
S8189

>  <Name> (795)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (795)
N/A

>  <Target> (795)
c-RET,Raf,VEGFR

>  <Form> (795)
free base

>  <CAS> (795)
861875-60-7

>  <URL> (795)
http://selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/02252511162D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
  7 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  2  0  0  0  0
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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <Mol_ID> (796)
853

>  <Formula> (796)
C19H20F2N4O4

>  <MolWeight> (796)
406.3833064

>  <Cat> (796)
S8125

>  <Name> (796)
Pamapimod

>  <Synonyms> (796)
R-1503,Ro4402257

>  <Target> (796)
p38 MAPK

>  <Form> (796)
free base

>  <CAS> (796)
449811-01-2

>  <URL> (796)
http://selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
Alantolactone.cdx
csChFnd80/02252511162D

 19 21  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  1  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  2  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  1  0  0  0
  5 14  1  1  0  0  0
  3 15  1  1  0  0  0
 12 16  2  0  0  0  0
 11 17  2  0  0  0  0
  9 18  1  6  0  0  0
  8 19  1  6  0  0  0
M  END
>  <Mol_ID> (797)
854

>  <Formula> (797)
C15H20O2

>  <MolWeight> (797)
232.3181

>  <Cat> (797)
S8318

>  <Name> (797)
Alantolactone

>  <Synonyms> (797)
helenin, helenine, Eupatal

>  <Target> (797)
TGF-beta/Smad

>  <Form> (797)
free base

>  <CAS> (797)
546-43-0

>  <URL> (797)
http://selleckchem.com/products/alantolactone.html

$$$$
BFH772.cdx
csChFnd80/02252511162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    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
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VEGFR

>  <Form> (798)
free base

>  <CAS> (798)
890128-81-1

>  <URL> (798)
http://selleckchem.com/products/bfh772.html

$$$$
NT157.cdx
csChFnd80/02252511162D

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856

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C16H14BrNO5S

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>  <Name> (799)
NT157

>  <Synonyms> (799)
N/A

>  <Target> (799)
IGF-1R

>  <Form> (799)
free base

>  <CAS> (799)
1384426-12-3

>  <URL> (799)
http://selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (800)
857

>  <Formula> (800)
C26H24N8O2

>  <MolWeight> (800)
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Tucatinib

>  <Synonyms> (800)
Irbinitinib, ONT-380, ARRY-380

>  <Target> (800)
EGFR,HER2

>  <Form> (800)
free base

>  <CAS> (800)
937263-43-9

>  <URL> (800)
http://selleckchem.com/products/arry-380-ont-380.html

$$$$
GDC-0084.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (801)
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>  <Formula> (801)
C18H22N8O2

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>  <Cat> (801)
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>  <Name> (801)
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>  <Target> (801)
mTOR,PI3K

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free base

>  <CAS> (801)
1382979-44-3

>  <URL> (801)
http://selleckchem.com/products/gdc-0084.html

$$$$
ML-7.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (802)
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>  <Formula> (802)
C15H18ClIN2O2S

>  <MolWeight> (802)
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>  <Cat> (802)
S8388

>  <Name> (802)
ML-7 HCl

>  <Synonyms> (802)
N/A

>  <Target> (802)
MLCK,PKA,PKC

>  <Form> (802)
hydrochloride

>  <CAS> (802)
110448-33-4

>  <URL> (802)
http://selleckchem.com/products/ml-7.html

$$$$
CZ415.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (803)
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C22H29N5O4S

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CZ415

>  <Synonyms> (803)
N/A

>  <Target> (803)
mTOR

>  <Form> (803)
free base

>  <CAS> (803)
1429639-50-8

>  <URL> (803)
http://selleckchem.com/products/cz415.html

$$$$
XMD16-5.cdx
csChFnd80/02252511162D

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861

>  <Formula> (804)
C23H24N6O2

>  <MolWeight> (804)
416.47566

>  <Cat> (804)
S8273

>  <Name> (804)
XMD16-5

>  <Synonyms> (804)
N/A

>  <Target> (804)
ACK

>  <Form> (804)
free base

>  <CAS> (804)
1345098-78-3

>  <URL> (804)
http://selleckchem.com/products/xmd16-5.html

$$$$
XMD8-87.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (805)
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>  <Formula> (805)
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>  <Name> (805)
XMD8-87

>  <Synonyms> (805)
N/A

>  <Target> (805)
ACK

>  <Form> (805)
free base

>  <CAS> (805)
1234480-46-6

>  <URL> (805)
http://selleckchem.com/products/xmd8-87.html

$$$$
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 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
 17 19  1  0  0  0  0
 14 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 11  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (806)
863

>  <Formula> (806)
C25H30N6O2

>  <MolWeight> (806)
446.5447

>  <Cat> (806)
S8401

>  <Name> (806)
Erdafitinib (JNJ-42756493)

>  <Synonyms> (806)
N/A

>  <Target> (806)
Apoptosis related,c-Kit,c-RET,CSF-1R,FGFR,PDGFR,VEGFR

>  <Form> (806)
free base

>  <CAS> (806)
1346242-81-6

>  <URL> (806)
http://selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743   10.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    5.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    7.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347    6.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    5.3689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7366    6.3836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1010    5.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8635    3.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    5.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673    3.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0337    2.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6356    2.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606    0.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (807)
864

>  <Formula> (807)
C21H20N2O3S

>  <MolWeight> (807)
380.4601

>  <Cat> (807)
S8448

>  <Name> (807)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (807)
N/A

>  <Target> (807)
ROCK

>  <Form> (807)
free base

>  <CAS> (807)
557782-81-7

>  <URL> (807)
http://selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
S49076.cdx
csChFnd80/02252511162D

 31 35  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    0.4965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    1.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    2.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8296    4.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    1.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1990    4.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6457    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2394    3.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4518    4.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1608    5.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7684    5.6633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7308    3.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8634    4.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1424    3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2750    4.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1287    6.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8497    6.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7171    5.7933    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  2  0  0  0  0
 14 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 14  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (808)
865

>  <Formula> (808)
C22H22N4O4S

>  <MolWeight> (808)
438.49948

>  <Cat> (808)
S8404

>  <Name> (808)
S49076

>  <Synonyms> (808)
N/A

>  <Target> (808)
Axl,c-Met,FGFR,Mertk

>  <Form> (808)
free base

>  <CAS> (808)
1265965-22-7

>  <URL> (808)
http://selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   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
    9.7660    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    6.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    6.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1986    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5680    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    3.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    5.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0007    1.3765    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 20 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (809)
866

>  <Formula> (809)
C20H19FN4O2S

>  <MolWeight> (809)
398.4538632

>  <Cat> (809)
S8261

>  <Name> (809)
GSK583

>  <Synonyms> (809)
N/A

>  <Target> (809)
Interleukins,RIP kinase,TNF-alpha

>  <Form> (809)
free base

>  <CAS> (809)
1346547-00-9

>  <URL> (809)
http://selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/02252511162D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.6331    8.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2123    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    9.3460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6075    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3075    7.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4075    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6099   10.6341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 23  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (810)
867

>  <Formula> (810)
C27H25ClN6

>  <MolWeight> (810)
468.9806

>  <Cat> (810)
S8339

>  <Name> (810)
Miransertib (ARQ 092) HCl

>  <Synonyms> (810)
Miransertib

>  <Target> (810)
Akt

>  <Form> (810)
hydrochloride

>  <CAS> (810)
1313883-00-9

>  <URL> (810)
http://selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3995   10.3124    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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 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  7  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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (811)
868

>  <Formula> (811)
C21H25N7O

>  <MolWeight> (811)
391.4695

>  <Cat> (811)
S8456

>  <Name> (811)
VPS34 inhibitor 1 (Compound 19)

>  <Synonyms> (811)
PIK-III analogue

>  <Target> (811)
PI3K

>  <Form> (811)
free base

>  <CAS> (811)
1383716-46-8

>  <URL> (811)
http://selleckchem.com/products/vps34-inhibitor-1.html

$$$$
S8275-eFT-508.cdx
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.0956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    3.7956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8817    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6838    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1879    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.4956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    6.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
  2 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 19  2  0  0  0  0
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 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
  3 23  2  0  0  0  0
  9 24  2  0  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (812)
869

>  <Formula> (812)
C17H20N6O2

>  <MolWeight> (812)
340.3797

>  <Cat> (812)
S8275

>  <Name> (812)
Tomivosertib (eFT-508)

>  <Synonyms> (812)
N/A

>  <Target> (812)
eIF,MNK,PD-1/PD-L1

>  <Form> (812)
free base

>  <CAS> (812)
1849590-01-7

>  <URL> (812)
http://selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/02252511162D

 26 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   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
    1.4349    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6356    1.3566    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (813)
870

>  <Formula> (813)
C14H17Cl2N5O4S

>  <MolWeight> (813)
422.28688

>  <Cat> (813)
S8457

>  <Name> (813)
UK-371804 HCl

>  <Synonyms> (813)
UK-371804 HCl

>  <Target> (813)
Serine Protease

>  <Form> (813)
hydrochloride

>  <CAS> (813)
256476-36-5

>  <URL> (813)
http://selleckchem.com/products/uk-371804-hcl.html

$$$$

csChFnd80/02252511162D

 37 41  0  0  0  0  0  0  0  0999 V2000
    3.2372    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2072    3.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345    5.5644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7505    6.4822    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8303    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5303    4.2247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9033    4.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0483    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2566    6.6025    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2751   10.8094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520   10.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520    8.6933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1349   10.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3695   10.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5644   10.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7794   10.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1964   12.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9844   12.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9844   10.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2251   10.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4389   10.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 22  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
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  9 10  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 36  1  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
  1 31  1  0  0  0  0
M  END
>  <Mol_ID> (814)
871

>  <Formula> (814)
C25H27N7O3S2

>  <MolWeight> (814)
537.65698

>  <Cat> (814)
S1099

>  <Name> (814)
SKLB4771 (FLT3-IN-1)

>  <Synonyms> (814)
N/A

>  <Target> (814)
FLT3

>  <Form> (814)
Free Base

>  <CAS> (814)
1370256-78-2

>  <URL> (814)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

$$$$
BAY 1217389.cdx
csChFnd80/02252511162D

 40 44  0  0  0  0  0  0  0  0999 V2000
    9.7098    8.8548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7170   10.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5138   10.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871   10.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (815)
872

>  <Formula> (815)
C27H24F5N5O3

>  <MolWeight> (815)
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>  <Cat> (815)
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>  <Name> (815)
BAY 1217389

>  <Synonyms> (815)
N/A

>  <Target> (815)
MPS1

>  <Form> (815)
free base

>  <CAS> (815)
1554458-53-5

>  <URL> (815)
http://selleckchem.com/products/bay-1217389.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (816)
873

>  <Formula> (816)
C30H42N8O3

>  <MolWeight> (816)
562.70628

>  <Cat> (816)
S8412

>  <Name> (816)
Naquotinib(ASP8273)

>  <Synonyms> (816)
N/A

>  <Target> (816)
EGFR

>  <Form> (816)
free base

>  <CAS> (816)
1448232-80-1

>  <URL> (816)
http://selleckchem.com/products/naquotinib-asp8273.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (817)
874

>  <Formula> (817)
C25H23ClN6O3

>  <MolWeight> (817)
490.94152

>  <Cat> (817)
S8166

>  <Name> (817)
tirabrutinib(ONO-4059) hydrochloride

>  <Synonyms> (817)
GS-4059

>  <Target> (817)
BTK

>  <Form> (817)
hydrochloride

>  <CAS> (817)
1439901-97-9

>  <URL> (817)
http://selleckchem.com/products/ono-4059-gs-4059.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/02252511162D

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 12 10  2  0  0  0  0
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 17 13  1  0  0  0  0
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M  END
>  <Mol_ID> (818)
875

>  <Formula> (818)
C15H18O2

>  <MolWeight> (818)
230.30222

>  <Cat> (818)
S8291

>  <Name> (818)
Atractylenolide I

>  <Synonyms> (818)
N/A

>  <Target> (818)
Immunology & Inflammation related

>  <Form> (818)
free base

>  <CAS> (818)
73069-13-3

>  <URL> (818)
http://selleckchem.com/products/atractylenolide-i.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/02252511162D

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 21 15  1  0  0  0  0
  1  2  1  0  0  0  0
  5  6  1  0  0  0  0
  4  3  1  0  0  0  0
A   23
xH2O
M  END
>  <Mol_ID> (819)
876

>  <Formula> (819)
C14H18ClN3O3RS

>  <MolWeight> (819)
343.82902

>  <Cat> (819)
S8208

>  <Name> (819)
Hydroxyfasudil (HA-1100) HCl

>  <Synonyms> (819)
N/A

>  <Target> (819)
ROCK

>  <Form> (819)
hydrochloride

>  <CAS> (819)
155558-32-0 (HCl salt)

>  <URL> (819)
http://selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (820)
877

>  <Formula> (820)
C21H18F3N5O

>  <MolWeight> (820)
413.3957296

>  <Cat> (820)
S2931

>  <Name> (820)
Aurora Kinase Inhibitor III

>  <Synonyms> (820)
N/A

>  <Target> (820)
Aurora Kinase

>  <Form> (820)
Free Base

>  <CAS> (820)
879127-16-9

>  <URL> (820)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/02252511162D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (821)
878

>  <Formula> (821)
C26H37N5O2

>  <MolWeight> (821)
451.60428

>  <Cat> (821)
S8192

>  <Name> (821)
SUN11602

>  <Synonyms> (821)
N/A

>  <Target> (821)
FGFR

>  <Form> (821)
free base

>  <CAS> (821)
704869-38-5

>  <URL> (821)
http://selleckchem.com/products/sun11602.html

$$$$
TGR-1202.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (822)
879

>  <Formula> (822)
C31H24F3N5O3

>  <MolWeight> (822)
571.5491696

>  <Cat> (822)
S8194

>  <Name> (822)
umbralisib (TGR-1202)

>  <Synonyms> (822)
Rp-5264

>  <Target> (822)
PI3K

>  <Form> (822)
free base

>  <CAS> (822)
1532533-67-7

>  <URL> (822)
http://selleckchem.com/products/tgr-1202.html

$$$$
CC-930.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (823)
880

>  <Formula> (823)
C21H24ClF3N6O2

>  <MolWeight> (823)
484.9024696

>  <Cat> (823)
S8490

>  <Name> (823)
Tanzisertib(CC-930)

>  <Synonyms> (823)
JNK-930, JNKI-1

>  <Target> (823)
JNK

>  <Form> (823)
hydrochloride

>  <CAS> (823)
899805-25-5(freebase)

>  <URL> (823)
http://selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (824)
881

>  <Formula> (824)
C20H24N6O3

>  <MolWeight> (824)
396.44296

>  <Cat> (824)
S8493

>  <Name> (824)
PD-166866 (PD166866)

>  <Synonyms> (824)
N/A

>  <Target> (824)
FGFR

>  <Form> (824)
free base

>  <CAS> (824)
192705-79-6

>  <URL> (824)
http://selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (825)
882

>  <Formula> (825)
C24H24Cl2N4O4

>  <MolWeight> (825)
503.37776

>  <Cat> (825)
S8503

>  <Name> (825)
Fisogatinib (BLU-554)

>  <Synonyms> (825)
N/A

>  <Target> (825)
FGFR

>  <Form> (825)
free base

>  <CAS> (825)
1707289-21-1

>  <URL> (825)
http://selleckchem.com/products/blu-554.html

$$$$
GSK180736A.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (826)
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>  <Formula> (826)
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S8489

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GSK180736A (GSK180736)

>  <Synonyms> (826)
N/A

>  <Target> (826)
GRK

>  <Form> (826)
free base

>  <CAS> (826)
817194-38-0

>  <URL> (826)
http://selleckchem.com/products/gsk180736a.html

$$$$
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csChFnd80/02252511162D

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>  <Mol_ID> (827)
884

>  <Formula> (827)
C20H23ClN6O2

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414.88862

>  <Cat> (827)
S8523

>  <Name> (827)
GSK2256098

>  <Synonyms> (827)
GTPL7939

>  <Target> (827)
Apoptosis related,FAK

>  <Form> (827)
free base

>  <CAS> (827)
1224887-10-8

>  <URL> (827)
http://selleckchem.com/products/gsk2256098.html

$$$$
YU238259.cdx
csChFnd80/02252511162D

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885

>  <Formula> (828)
C22H22ClN3O4S

>  <MolWeight> (828)
459.94578

>  <Cat> (828)
S8379

>  <Name> (828)
YU238259

>  <Synonyms> (828)
N/A

>  <Target> (828)
DNA-PK

>  <Form> (828)
free base

>  <CAS> (828)
1943733-16-1

>  <URL> (828)
http://selleckchem.com/products/yu238259.html

$$$$
ARS-853.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (829)
886

>  <Formula> (829)
C22H29ClN4O3

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432.94366

>  <Cat> (829)
S8156

>  <Name> (829)
ARS-853 (ARS853)

>  <Synonyms> (829)
N/A

>  <Target> (829)
Apoptosis related,Ras

>  <Form> (829)
free base

>  <CAS> (829)
1629268-00-3

>  <URL> (829)
http://selleckchem.com/products/ars-853.html

$$$$
CRT0066101.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (830)
887

>  <Formula> (830)
C18H24Cl2N6O

>  <MolWeight> (830)
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>  <Cat> (830)
S8366

>  <Name> (830)
CRT0066101 dihydrochloride

>  <Synonyms> (830)
CRT0066101 2HCl

>  <Target> (830)
PKD

>  <Form> (830)
dihydrochloride

>  <CAS> (830)
1883545-60-5

>  <URL> (830)
https://www.selleckchem.com/products/crt0066101-dihydrochloride.html

$$$$
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csChFnd80/02252511162D

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1384071-99-1

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>  <Cat> (834)
S8157

>  <Name> (834)
GDC-0326

>  <Synonyms> (834)
N/A

>  <Target> (834)
PI3K

>  <Form> (834)
free base

>  <CAS> (834)
1282514-88-8

>  <URL> (834)
http://selleckchem.com/products/gdc-0326.html

$$$$
MSC2530818.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (835)
893

>  <Formula> (835)
C18H17ClN4O

>  <MolWeight> (835)
340.80678

>  <Cat> (835)
S8387

>  <Name> (835)
MSC2530818

>  <Synonyms> (835)
N/A

>  <Target> (835)
CDK

>  <Form> (835)
free base

>  <CAS> (835)
1883423-59-3

>  <URL> (835)
http://selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (836)
894

>  <Formula> (836)
C33H29F2N5O4S

>  <MolWeight> (836)
629.6762664

>  <Cat> (836)
S8573

>  <Name> (836)
Sitravatinib (MGCD516)

>  <Synonyms> (836)
MG-516

>  <Target> (836)
Axl,c-Kit,Ephrin receptor,Trk receptor,VEGFR

>  <Form> (836)
free base

>  <CAS> (836)
1123837-84-2

>  <URL> (836)
http://selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
3BDO.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (837)
895

>  <Formula> (837)
C18H17NO5

>  <MolWeight> (837)
327.33128

>  <Cat> (837)
S8317

>  <Name> (837)
3BDO

>  <Synonyms> (837)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (837)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (837)
free base

>  <CAS> (837)
890405-51-3

>  <URL> (837)
http://selleckchem.com/products/3bdo.html

$$$$
TPX-0005.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (838)
896

>  <Formula> (838)
C18H18FN5O2

>  <MolWeight> (838)
355.3662232

>  <Cat> (838)
S8583

>  <Name> (838)
Repotrectinib (TPX-0005)

>  <Synonyms> (838)
N/A

>  <Target> (838)
ALK,ROS1,Src,Trk receptor

>  <Form> (838)
free base

>  <CAS> (838)
1802220-02-5

>  <URL> (838)
http://selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (839)
897

>  <Formula> (839)
C20H19N5O3

>  <MolWeight> (839)
377.39656

>  <Cat> (839)
S8484

>  <Name> (839)
GSK2982772

>  <Synonyms> (839)
N/A

>  <Target> (839)
RIP kinase,TNF-alpha

>  <Form> (839)
free base

>  <CAS> (839)
1622848-92-3

>  <URL> (839)
http://selleckchem.com/products/gsk2982772.html

$$$$
Amcasertib (BBI503).cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (840)
898

>  <Formula> (840)
C31H33N5O2S

>  <MolWeight> (840)
539.69102

>  <Cat> (840)
S8572

>  <Name> (840)
Amcasertib (BBI503)

>  <Synonyms> (840)
N/A

>  <Target> (840)
Stemness kinase

>  <Form> (840)
free base

>  <CAS> (840)
1129403-56-0

>  <URL> (840)
http://selleckchem.com/products/amcasertib-bbi503.html

$$$$
SF2523.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (841)
899

>  <Formula> (841)
C19H17NO5S

>  <MolWeight> (841)
371.40698

>  <Cat> (841)
S8589

>  <Name> (841)
SF2523

>  <Synonyms> (841)
N/A

>  <Target> (841)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (841)
free base

>  <CAS> (841)
1174428-47-7

>  <URL> (841)
http://selleckchem.com/products/sf2523.html

$$$$
IPI-549.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (842)
900

>  <Formula> (842)
C30H24N8O2

>  <MolWeight> (842)
528.56396

>  <Cat> (842)
S8330

>  <Name> (842)
Eganelisib (IPI-549)

>  <Synonyms> (842)
N/A

>  <Target> (842)
PI3K

>  <Form> (842)
free base

>  <CAS> (842)
1693758-51-8

>  <URL> (842)
http://selleckchem.com/products/ipi-549.html

$$$$
PF-06273340.cdx
csChFnd80/02252511162D

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  2 10  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (843)
901

>  <Formula> (843)
C23H22ClN7O3

>  <MolWeight> (843)
479.91888

>  <Cat> (843)
S8407

>  <Name> (843)
PF-06273340

>  <Synonyms> (843)
N/A

>  <Target> (843)
Trk receptor

>  <Form> (843)
free base

>  <CAS> (843)
1402438-74-7

>  <URL> (843)
http://selleckchem.com/products/pf-06273340.html

$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (844)
902

>  <Formula> (844)
C19H17N3O2S2

>  <MolWeight> (844)
383.48718

>  <Cat> (844)
S8465

>  <Name> (844)
GSK'872 (GSK2399872A)

>  <Synonyms> (844)
N/A

>  <Target> (844)
RIP kinase

>  <Form> (844)
free base

>  <CAS> (844)
1346546-69-7

>  <URL> (844)
http://selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/02252511162D

 27 31  0  0  0  0  0  0  0  0999 V2000
    5.8723    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8723    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7179    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0450    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4326    3.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7221    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2660    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0889    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2660    4.6326    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  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  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 10 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 10  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (845)
903

>  <Formula> (845)
C19H17N5O3

>  <MolWeight> (845)
363.36998

>  <Cat> (845)
S8581

>  <Name> (845)
Serabelisib (TAK-117)

>  <Synonyms> (845)
INK-1117, MLN-1117

>  <Target> (845)
PI3K

>  <Form> (845)
free base

>  <CAS> (845)
1268454-23-4

>  <URL> (845)
http://selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/02252511162D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  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
    4.8497    2.1000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (846)
904

>  <Formula> (846)
C2HCl2NaO2

>  <MolWeight> (846)
150.92391

>  <Cat> (846)
S8615

>  <Name> (846)
Sodium dichloroacetate (DCA)

>  <Synonyms> (846)
Dichloroacetic acid, bichloroacetic acid, BCA

>  <Target> (846)
Apoptosis related,Dehydrogenase,NKCC,ROS

>  <Form> (846)
sodium salt

>  <CAS> (846)
2156-56-1

>  <URL> (846)
http://selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/02252511162D

 42 46  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    0.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3539    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0539    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4539    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1539    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5539    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    5.2641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8330    5.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2656    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3288    7.9271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.8247   10.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5635   10.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6267   11.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9329   11.1722    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 31  9  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  1  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
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 40 41  1  0  0  0  0
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M  END
>  <Mol_ID> (847)
905

>  <Formula> (847)
C33H44FN5O3

>  <MolWeight> (847)
577.7325632

>  <Cat> (847)
S8511

>  <Name> (847)
Belizatinib (TSR-011)

>  <Synonyms> (847)
N/A

>  <Target> (847)
ALK,Trk receptor

>  <Form> (847)
free base

>  <CAS> (847)
1357920-84-3

>  <URL> (847)
http://selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3451    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    3.5000    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
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  3  7  1  0  0  0  0
  1  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 21 24  1  0  0  0  0
 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (848)
906

>  <Formula> (848)
C14H11ClN6O3

>  <MolWeight> (848)
346.72854

>  <Cat> (848)
S8596

>  <Name> (848)
Autophinib

>  <Synonyms> (848)
N/A

>  <Target> (848)
Autophagy,PI3K

>  <Form> (848)
free base

>  <CAS> (848)
1644443-47-9

>  <URL> (848)
http://selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (849)
907

>  <Formula> (849)
C26H30Cl2N6O4

>  <MolWeight> (849)
561.4602

>  <Cat> (849)
S8578

>  <Name> (849)
PRN1371

>  <Synonyms> (849)
N/A

>  <Target> (849)
CSF-1R,FGFR

>  <Form> (849)
free base

>  <CAS> (849)
1802929-43-6

>  <URL> (849)
http://selleckchem.com/products/prn1371.html

$$$$

csChFnd80/02252511162D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (850)
908

>  <Formula> (850)
C22H25FN6O4S

>  <MolWeight> (850)
488.5351032

>  <Cat> (850)
S2002

>  <Name> (850)
CZC-25146

>  <Synonyms> (850)
N/A

>  <Target> (850)
LRRK2

>  <Form> (850)
Free Base

>  <CAS> (850)
1191911-26-8

>  <URL> (850)
http://www.selleck.cn/products/czc-25146.html

$$$$
NCT-503.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (851)
909

>  <Formula> (851)
C20H23F3N4S

>  <MolWeight> (851)
408.4836296

>  <Cat> (851)
S8619

>  <Name> (851)
NCT-503

>  <Synonyms> (851)
N/A

>  <Target> (851)
Dehydrogenase

>  <Form> (851)
free base

>  <CAS> (851)
1916571-90-8

>  <URL> (851)
http://selleckchem.com/products/nct-503.html

$$$$
Azoramide.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (852)
910

>  <Formula> (852)
C15H17ClN2OS

>  <MolWeight> (852)
308.82628

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S8304

>  <Name> (852)
Azoramide

>  <Synonyms> (852)
N/A

>  <Target> (852)
PERK

>  <Form> (852)
free base

>  <CAS> (852)
932986-18-0

>  <URL> (852)
http://selleckchem.com/products/azoramide.html

$$$$
R-IMPP.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (853)
911

>  <Formula> (853)
C24H27N3O2

>  <MolWeight> (853)
389.49008

>  <Cat> (853)
S8420

>  <Name> (853)
R-IMPP

>  <Synonyms> (853)
N/A

>  <Target> (853)
PCSK9

>  <Form> (853)
free base

>  <CAS> (853)
2133832-83-2

>  <URL> (853)
http://selleckchem.com/products/r-impp.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (854)
912

>  <Formula> (854)
C20H14ClN3O2

>  <MolWeight> (854)
363.79706

>  <Cat> (854)
S8632

>  <Name> (854)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (854)
N/A

>  <Target> (854)
Apoptosis related,Chk

>  <Form> (854)
free base

>  <CAS> (854)
516480-79-8

>  <URL> (854)
http://selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (855)
913

>  <Formula> (855)
C22H27N7O2S

>  <MolWeight> (855)
453.56048

>  <Cat> (855)
S8534

>  <Name> (855)
Temuterkib (LY3214996)

>  <Synonyms> (855)
N/A

>  <Target> (855)
ERK

>  <Form> (855)
free base

>  <CAS> (855)
1951483-29-6

>  <URL> (855)
http://selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/02252511162D

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M  END
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C19H16ClNO3

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PF-06409577

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N/A

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AMPK

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free base

>  <CAS> (856)
1467057-23-3

>  <URL> (856)
http://selleckchem.com/products/pf-06409577.html

$$$$
CCG-203971.cdx
csChFnd80/02252511162D

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915

>  <Formula> (857)
C23H21ClN2O3

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408.87744

>  <Cat> (857)
S8469

>  <Name> (857)
CCG-203971

>  <Synonyms> (857)
N/A

>  <Target> (857)
Rho

>  <Form> (857)
free base

>  <CAS> (857)
1443437-74-8

>  <URL> (857)
http://selleckchem.com/products/ccg-203971.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/02252511162D

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>  <Mol_ID> (858)
916

>  <Formula> (858)
C18H19NO2S2

>  <MolWeight> (858)
345.47896

>  <Cat> (858)
S8616

>  <Name> (858)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (858)
PKM2-IN-1

>  <Target> (858)
PKM

>  <Form> (858)
free base

>  <CAS> (858)
94164-88-2

>  <URL> (858)
http://selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (859)
917

>  <Formula> (859)
C21H20N2O3S

>  <MolWeight> (859)
380.4601

>  <Cat> (859)
S8286

>  <Name> (859)
MKC-3946

>  <Synonyms> (859)
N/A

>  <Target> (859)
IRE1

>  <Form> (859)
free base

>  <CAS> (859)
1093119-54-0

>  <URL> (859)
http://selleckchem.com/products/mkc-3946.html

$$$$
LYN-1604.cdx
csChFnd80/02252511162D

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918

>  <Formula> (860)
C33H45Cl4N3O2

>  <MolWeight> (860)
657.5413

>  <Cat> (860)
S8597

>  <Name> (860)
LYN-1604

>  <Synonyms> (860)
N/A

>  <Target> (860)
Autophagy,ULK

>  <Form> (860)
dihydrochloride

>  <CAS> (860)
2088939-99-3

>  <URL> (860)
http://selleckchem.com/products/lyn-1604.html

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CA-4948.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (861)
920

>  <Formula> (861)
C21H19N7O3

>  <MolWeight> (861)
417.42066

>  <Cat> (861)
S8562

>  <Name> (861)
IRAK4-IN-2

>  <Synonyms> (861)
N/A

>  <Target> (861)
IL Receptor,IRAK,TLR

>  <Form> (861)
free base

>  <CAS> (861)
1801343-74-7

>  <URL> (861)
https://www.selleckchem.com/products/irak4-in-2.html

$$$$
C188-9.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (862)
921

>  <Formula> (862)
C27H21NO5S

>  <MolWeight> (862)
471.52434

>  <Cat> (862)
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>  <Name> (862)
C188-9

>  <Synonyms> (862)
TTI 101

>  <Target> (862)
STAT

>  <Form> (862)
free base

>  <CAS> (862)
432001-19-9

>  <URL> (862)
http://selleckchem.com/products/c188-9.html

$$$$
H3B-6527.cdx
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>  <Formula> (863)
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H3B-6527

>  <Synonyms> (863)
N/A

>  <Target> (863)
FGFR

>  <Form> (863)
free base

>  <CAS> (863)
1702259-66-2

>  <URL> (863)
http://selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/02252511162D

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    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (864)
923

>  <Formula> (864)
C18H18N4O2

>  <MolWeight> (864)
322.36112

>  <Cat> (864)
S8663

>  <Name> (864)
Takinib (EDHS-206)

>  <Synonyms> (864)
EDHS-206

>  <Target> (864)
Apoptosis related,IRAK,TAK1

>  <Form> (864)
free base

>  <CAS> (864)
1111556-37-6

>  <URL> (864)
http://selleckchem.com/products/takinib.html

$$$$
PF-06651600.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (865)
924

>  <Formula> (865)
C15H19N5O

>  <MolWeight> (865)
285.34426

>  <Cat> (865)
S8538

>  <Name> (865)
Ritlecitinib (PF-06651600)

>  <Synonyms> (865)
N/A

>  <Target> (865)
JAK

>  <Form> (865)
free base

>  <CAS> (865)
1792180-81-4

>  <URL> (865)
http://selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (866)
925

>  <Formula> (866)
C15H10O5

>  <MolWeight> (866)
270.2369

>  <Cat> (866)
S8696

>  <Name> (866)
2-D08

>  <Synonyms> (866)
2',3',4'-trihydroxy flavone

>  <Target> (866)
SUMO

>  <Form> (866)
free base

>  <CAS> (866)
144707-18-6

>  <URL> (866)
http://selleckchem.com/products/2-d08.html

$$$$
BGB-3111.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (867)
926

>  <Formula> (867)
C24H25N5O3

>  <MolWeight> (867)
431.487

>  <Cat> (867)
S8542

>  <Name> (867)
Btk inhibitor 2

>  <Synonyms> (867)
N/A

>  <Target> (867)
BTK

>  <Form> (867)
free base

>  <CAS> (867)
1558036-85-3

>  <URL> (867)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/02252511162D

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  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 20 15  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 10 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 25  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 27  1  0  0  0  0
 30 34  1  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (868)
927

>  <Formula> (868)
C28H25F3N6O

>  <MolWeight> (868)
518.5329096

>  <Cat> (868)
S8658

>  <Name> (868)
kira6

>  <Synonyms> (868)
N/A

>  <Target> (868)
IRE1

>  <Form> (868)
free base/salt 

>  <CAS> (868)
1589527-65-0

>  <URL> (868)
http://selleckchem.com/products/kira6.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9401    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3318    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1360    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8846    4.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    6.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8291    6.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863    5.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9709    7.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4008   10.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (869)
928

>  <Formula> (869)
C18H13BrN2O4S2

>  <MolWeight> (869)
465.34082

>  <Cat> (869)
S8652

>  <Name> (869)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (869)
N/A

>  <Target> (869)
E3 Ligase

>  <Form> (869)
free base/salt 

>  <CAS> (869)
432001-69-9

>  <URL> (869)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
SNS-314.cdx
csChFnd80/02252511162D

 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
    2.1148    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.4623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2309    4.3233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5552    5.2179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3026    2.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    4.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934    5.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536    7.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8162    6.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    5.6641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
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 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (870)
929

>  <Formula> (870)
C18H15ClN6OS2

>  <MolWeight> (870)
430.9343

>  <Cat> (870)
S8699

>  <Name> (870)
SNS-314 Mesylate

>  <Synonyms> (870)
N/A

>  <Target> (870)
Aurora Kinase

>  <Form> (870)
Mesylate

>  <CAS> (870)
1146618-41-8

>  <URL> (870)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/02252511162D

 38 43  0  0  0  0  0  0  0  0999 V2000
    6.3314    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5438    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    8.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7847    7.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    5.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1811    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3935    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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  3 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 25 20  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
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 36 31  1  0  0  0  0
 32 37  2  0  0  0  0
 18 38  2  0  0  0  0
M  END
>  <Mol_ID> (871)
930

>  <Formula> (871)
C31H26N4O3

>  <MolWeight> (871)
502.56314

>  <Cat> (871)
S8348

>  <Name> (871)
BMS-935177

>  <Synonyms> (871)
N/A

>  <Target> (871)
BTK,Trk receptor

>  <Form> (871)
free base

>  <CAS> (871)
1231889-53-4

>  <URL> (871)
http://selleckchem.com/products/bms-935177.html

$$$$
KPT-9274.cdx
csChFnd80/02252511162D

 45 50  0  0  0  0  0  0  0  0999 V2000
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931

>  <Formula> (872)
C35H29F3N4O3

>  <MolWeight> (872)
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>  <Cat> (872)
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>  <Name> (872)
KPT 9274 ( ATG-019)

>  <Synonyms> (872)
N/A

>  <Target> (872)
NAMPT,PAK

>  <Form> (872)
free base

>  <CAS> (872)
1643913-93-2

>  <URL> (872)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/02252511162D

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932

>  <Formula> (873)
C20H18ClF2N5O3

>  <MolWeight> (873)
449.8384264

>  <Cat> (873)
S8555

>  <Name> (873)
Asciminib (ABL001)

>  <Synonyms> (873)
N/A

>  <Target> (873)
Bcr-Abl

>  <Form> (873)
free base

>  <CAS> (873)
1492952-76-7

>  <URL> (873)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/02252511162D

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>  <Formula> (874)
C23H18FN5O2

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>  <Cat> (874)
S8672

>  <Name> (874)
Tenalisib (RP6530)

>  <Synonyms> (874)
N/A

>  <Target> (874)
PI3K

>  <Form> (874)
free base

>  <CAS> (874)
1639417-53-0

>  <URL> (874)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
AS1517499.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (875)
934

>  <Formula> (875)
C20H20ClN5O2

>  <MolWeight> (875)
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>  <Cat> (875)
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>  <Name> (875)
AS1517499

>  <Synonyms> (875)
N/A

>  <Target> (875)
STAT

>  <Form> (875)
free base

>  <CAS> (875)
919486-40-1

>  <URL> (875)
http://selleckchem.com/products/as1517499.html

$$$$
RAF709.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (876)
935

>  <Formula> (876)
C28H29F3N4O4

>  <MolWeight> (876)
542.5494696

>  <Cat> (876)
S8690

>  <Name> (876)
RAF709

>  <Synonyms> (876)
N/A

>  <Target> (876)
Raf

>  <Form> (876)
free base

>  <CAS> (876)
1628838-42-5

>  <URL> (876)
http://selleckchem.com/products/raf709.html

$$$$
AZD1390.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (877)
936

>  <Formula> (877)
C27H32FN5O2

>  <MolWeight> (877)
477.5736832

>  <Cat> (877)
S8680

>  <Name> (877)
AZD1390

>  <Synonyms> (877)
N/A

>  <Target> (877)
ATM/ATR

>  <Form> (877)
free base

>  <CAS> (877)
2089288-03-7

>  <URL> (877)
http://selleckchem.com/products/azd1390.html

$$$$
GSK'963.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (878)
937

>  <Formula> (878)
C14H18N2O

>  <MolWeight> (878)
230.30552

>  <Cat> (878)
S8642

>  <Name> (878)
GSK'963

>  <Synonyms> (878)
N/A

>  <Target> (878)
RIP kinase

>  <Form> (878)
free base

>  <CAS> (878)
2049868-46-2

>  <URL> (878)
http://selleckchem.com/products/gsk963.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (879)
938

>  <Formula> (879)
C23H24Cl2FN3O3

>  <MolWeight> (879)
480.3593632

>  <Cat> (879)
S8726

>  <Name> (879)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (879)
N/A

>  <Target> (879)
VEGFR

>  <Form> (879)
dihydrochloride

>  <CAS> (879)
1360460-82-7

>  <URL> (879)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/02252511162D

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 29 24  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 19  1  0  0  0  0
  7 32  2  0  0  0  0
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M  END
>  <Mol_ID> (880)
939

>  <Formula> (880)
C26H21F2N5O3

>  <MolWeight> (880)
489.4734464

>  <Cat> (880)
S8721

>  <Name> (880)
PDGFR inhibitor 1

>  <Synonyms> (880)
N/A

>  <Target> (880)
c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (880)
free base/salt 

>  <CAS> (880)
1225278-16-9

>  <URL> (880)
https://www.selleckchem.com/products/pdgfr-inhibitor-1.html

$$$$
UM-164.cdx
csChFnd80/02252511162D

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 32 33  2  0  0  0  0
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  7 35  1  0  0  0  0
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M  END
>  <Mol_ID> (881)
940

>  <Formula> (881)
C30H31F3N8O3S

>  <MolWeight> (881)
640.6791496

>  <Cat> (881)
S8706

>  <Name> (881)
UM-164

>  <Synonyms> (881)
N/A

>  <Target> (881)
p38 MAPK,Src

>  <Form> (881)
free base

>  <CAS> (881)
903564-48-7

>  <URL> (881)
http://selleckchem.com/products/um-164.html

$$$$
ARQ 531.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (882)
941

>  <Formula> (882)
C25H23ClN4O4

>  <MolWeight> (882)
478.92752

>  <Cat> (882)
S8711

>  <Name> (882)
Nemtabrutinib (ARQ 531)

>  <Synonyms> (882)
MK-1026

>  <Target> (882)
BTK

>  <Form> (882)
free base

>  <CAS> (882)
2095393-15-8

>  <URL> (882)
https://www.selleckchem.com/products/arq531.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (883)
943

>  <Formula> (883)
C10H6O4

>  <MolWeight> (883)
190.15224

>  <Cat> (883)
S9361

>  <Name> (883)
Coumarin-3-carboxylic acid

>  <Target> (883)
Others

>  <Form> (883)
free base

>  <CAS> (883)
531-81-7

>  <URL> (883)
https://www.selleckchem.com/products/coumarin-3-carboxylic-acid.html

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/02252511162D

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    3.4981    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488    2.3174    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    3.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    1.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (884)
944

>  <Formula> (884)
C10H14N5O7P

>  <MolWeight> (884)
347.221221

>  <Cat> (884)
S9366

>  <Name> (884)
5'-Adenylic acid

>  <Synonyms> (884)
AMP, Adenosine monophosphate

>  <Target> (884)
Others

>  <Form> (884)
free base

>  <CAS> (884)
61-19-8

>  <URL> (884)
https://www.selleckchem.com/products/5-adenylic-acid.html

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/02252511162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (885)
945

>  <Formula> (885)
C8H8O3

>  <MolWeight> (885)
152.14732

>  <Cat> (885)
S9374

>  <Name> (885)
2',5'-Dihydroxyacetophenone

>  <Synonyms> (885)
DHAP, 2-Acetylhydroquinone, Quinacetophenone

>  <Target> (885)
ERK,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (885)
free base

>  <CAS> (885)
490-78-8

>  <URL> (885)
https://www.selleckchem.com/products/2-5-dihydroxyacetophenone.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    6.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    3.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    1.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    2.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (886)
946

>  <Formula> (886)
C15H24N2O2

>  <MolWeight> (886)
264.36326

>  <Cat> (886)
S9384

>  <Name> (886)
Sophocarpine Monohydrate

>  <Target> (886)
Immunology & Inflammation related

>  <Form> (886)
free base

>  <CAS> (886)
145572-44-7

>  <URL> (886)
https://www.selleckchem.com/products/sophocarpine-monohydrate.html

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/02252511162D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (887)
947

>  <Formula> (887)
C6H13NO3

>  <MolWeight> (887)
147.17232

>  <Cat> (887)
S9393

>  <Name> (887)
(4S)-4-Hydroxy-L-isoleucine

>  <Target> (887)
Others

>  <Form> (887)
free base

>  <CAS> (887)
55399-93-4

>  <URL> (887)
https://www.selleckchem.com/products/4s-4-hydroxy-l-isoleucine.html

$$$$
S9406 Sauchinone.cdx
csChFnd80/02252511162D

 29 34  0  0  0  0  0  0  0  0999 V2000
    8.3135    6.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5221    5.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375    3.4814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0096    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0096    5.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2375    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    1.3973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8023    2.0992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8023    3.5079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5884    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5884    5.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8116    6.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3730    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    5.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    6.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    3.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147    6.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185    6.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1195    7.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7584    7.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712    3.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5887    2.8072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4347    2.7902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7975    4.8901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
  6 21  1  6  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  2  0  0  0  0
 10 25  1  6  0  0  0
  9 26  1  6  0  0  0
  4 27  1  1  0  0  0
  8 28  1  1  0  0  0
  5 29  1  6  0  0  0
M  END
>  <Mol_ID> (888)
948

>  <Formula> (888)
C20H20O6

>  <MolWeight> (888)
356.3692

>  <Cat> (888)
S9406

>  <Name> (888)
Sauchinone

>  <Target> (888)
Immunology & Inflammation related

>  <Form> (888)
free base

>  <CAS> (888)
177931-17-8

>  <URL> (888)
https://www.selleckchem.com/products/sauchinone.html

$$$$
S9414 Cyasterone.cdx
csChFnd80/02252511162D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.3112    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    5.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6034    3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    2.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    6.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1113    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    6.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    3.5009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8982    5.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    7.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6786    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4524    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    4.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3438    7.6939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5881    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506    8.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    3.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2998    6.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0197    4.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    6.9224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9171    6.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7632    8.2805    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8995    7.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2402    4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    8.5639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7086    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3366    7.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589    0.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0231    6.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3246    9.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
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  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 37  1  6  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
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  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
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 14 19  2  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  6  0  0  0
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 16 23  1  0  0  0  0
 16 38  1  1  0  0  0
 17 24  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 28 25  1  6  0  0  0
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 28 30  1  0  0  0  0
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 32 34  1  0  0  0  0
  8 39  1  6  0  0  0
 20 40  1  6  0  0  0
M  END
>  <Mol_ID> (889)
949

>  <Formula> (889)
C29H44O8

>  <MolWeight> (889)
520.65486

>  <Cat> (889)
S9414

>  <Name> (889)
Cyasterone

>  <Target> (889)
EGFR

>  <Form> (889)
free base

>  <CAS> (889)
17086-76-9

>  <URL> (889)
https://www.selleckchem.com/products/cyasterone.html

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/02252511162D

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    8.4869    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  2  0  0  0  0
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  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
  1 14  1  0  0  0  0
 10 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  1  0  0  0
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 23 31  1  0  0  0  0
 23 22  1  1  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (890)
950

>  <Formula> (890)
C22H22O11

>  <MolWeight> (890)
462.40348

>  <Cat> (890)
S9417

>  <Name> (890)
Homoplantaginin

>  <Synonyms> (890)
Hispidulin-7-glucoside

>  <Target> (890)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (890)
free base

>  <CAS> (890)
17680-84-1

>  <URL> (890)
https://www.selleckchem.com/products/homoplantaginin.html

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2697    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9020    6.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6669    8.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1225    6.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
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M  END
>  <Mol_ID> (891)
951

>  <Formula> (891)
C22H24NO4+

>  <MolWeight> (891)
366.43026

>  <Cat> (891)
S9431

>  <Name> (891)
Dehydrocorydalin

>  <Target> (891)
Immunology & Inflammation related

>  <Form> (891)
free base

>  <CAS> (891)
30045-16-0

>  <URL> (891)
https://www.selleckchem.com/products/dehydrocorydalin.html

$$$$

csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.4018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4018    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6142    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8266    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 15  1  0  0  0  0
 17 21  1  1  0  0  0
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M  END
>  <Mol_ID> (892)
952

>  <Formula> (892)
C16H20BrN5O

>  <MolWeight> (892)
378.2669

>  <Cat> (892)
S8526

>  <Name> (892)
GDC-0575 (ARRY-575)

>  <Synonyms> (892)
RG7741

>  <Target> (892)
Chk

>  <Form> (892)
Free Base

>  <CAS> (892)
1196541-47-5

>  <URL> (892)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (893)
953

>  <Formula> (893)
C24H28N4O3

>  <MolWeight> (893)
420.50412

>  <Cat> (893)
S8556

>  <Name> (893)
AZ31

>  <Synonyms> (893)
N/A

>  <Target> (893)
ATM/ATR

>  <Form> (893)
Free Base

>  <CAS> (893)
2088113-98-6

>  <URL> (893)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/02252511162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    4.8497    5.6000    0.0000 C   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
    1.2124    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.7000    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
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  3 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 20 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 21  1  0  0  0  0
 12 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (894)
954

>  <Formula> (894)
C23H14ClF3N6O

>  <MolWeight> (894)
482.8450696

>  <Cat> (894)
S8560

>  <Name> (894)
Seletalisib (UCB-5857)

>  <Synonyms> (894)
N/A

>  <Target> (894)
PI3K

>  <Form> (894)
Free Base

>  <CAS> (894)
1362850-20-1

>  <URL> (894)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/02252511162D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 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
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (895)
955

>  <Formula> (895)
C29H29FN4O

>  <MolWeight> (895)
468.5651632

>  <Cat> (895)
S8609

>  <Name> (895)
Derazantinib(ARQ-087)

>  <Synonyms> (895)
N/A

>  <Target> (895)
FGFR

>  <Form> (895)
Free Base

>  <CAS> (895)
1234356-69-4

>  <URL> (895)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/02252511162D

 19 21  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
    3.7564    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    5.5552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5988    4.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    5.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5201    6.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278    8.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (896)
956

>  <Formula> (896)
C13H12ClN3O2

>  <MolWeight> (896)
277.70628

>  <Cat> (896)
S8641

>  <Name> (896)
Necrostatin 2 racemate (Nec-1s)

>  <Synonyms> (896)
7-Cl-O-Nec1, Necrostatin-1 stable, Necrostatin 1S

>  <Target> (896)
RIP kinase

>  <Form> (896)
racemate

>  <CAS> (896)
852391-15-2

>  <URL> (896)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/02252511162D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5480    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5480    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (897)
957

>  <Formula> (897)
C24H18ClN3O3

>  <MolWeight> (897)
431.87102

>  <Cat> (897)
S8654

>  <Name> (897)
ex229 (compound 991)

>  <Synonyms> (897)
N/A

>  <Target> (897)
AMPK

>  <Form> (897)
Free Base

>  <CAS> (897)
1219739-36-2

>  <URL> (897)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/02252511162D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    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
    0.0000    7.0000    0.0000 F   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 N   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
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4932   10.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    8.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4787    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (898)
958

>  <Formula> (898)
C24H23FN8O2

>  <MolWeight> (898)
474.4902232

>  <Cat> (898)
S8679

>  <Name> (898)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (898)
N/A

>  <Target> (898)
BTK

>  <Form> (898)
Free Base

>  <CAS> (898)
2230724-66-8

>  <URL> (898)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3048    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2297    5.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3084    8.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    2.7765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (899)
959

>  <Formula> (899)
C14H11ClN4S2

>  <MolWeight> (899)
334.84694

>  <Cat> (899)
S8700

>  <Name> (899)
TP0427736 HCl

>  <Synonyms> (899)
N/A

>  <Target> (899)
TGF-beta/Smad

>  <Form> (899)
hydrochloride

>  <CAS> (899)
864374-00-5

>  <URL> (899)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/02252511162D

 36 39  0  0  0  0  0  0  0  0999 V2000
    2.4725    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6849    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2601    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5517    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2517    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (900)
960

>  <Formula> (900)
C28H30FN3O4

>  <MolWeight> (900)
491.5539032

>  <Cat> (900)
S8723

>  <Name> (900)
ABBV-744

>  <Synonyms> (900)
N/A

>  <Target> (900)
Epigenetic Reader Domain

>  <Form> (900)
Free Base

>  <CAS> (900)
2138861-99-9

>  <URL> (900)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  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
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (901)
961

>  <Formula> (901)
C18H18FN5O2S

>  <MolWeight> (901)
387.4312232

>  <Cat> (901)
S8727

>  <Name> (901)
Atuveciclib (BAY-1143572)

>  <Synonyms> (901)
N/A

>  <Target> (901)
CDK

>  <Form> (901)
Free Base

>  <CAS> (901)
1414943-88-6

>  <URL> (901)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (902)
962

>  <Formula> (902)
C20H16N4O

>  <MolWeight> (902)
328.36724

>  <Cat> (902)
S8729

>  <Name> (902)
AZ32

>  <Synonyms> (902)
N/A

>  <Target> (902)
ATM/ATR

>  <Form> (902)
Free Base

>  <CAS> (902)
2288709-96-4

>  <URL> (902)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0870    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  7  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (903)
963

>  <Formula> (903)
C17H20F3N7O2

>  <MolWeight> (903)
411.3816096

>  <Cat> (903)
S8738

>  <Name> (903)
Bimiralisib (PQR309)

>  <Synonyms> (903)
N/A

>  <Target> (903)
mTOR,PI3K

>  <Form> (903)
Free Base

>  <CAS> (903)
1225037-39-7

>  <URL> (903)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/02252511162D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185   10.0674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185   12.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 18  1  0  0  0  0
 15 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
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (904)
964

>  <Formula> (904)
C26H26FN7O2

>  <MolWeight> (904)
487.5287432

>  <Cat> (904)
S8741

>  <Name> (904)
Avitinib (AC0010)

>  <Synonyms> (904)
Abivertinib

>  <Target> (904)
BTK,EGFR

>  <Form> (904)
Free Base

>  <CAS> (904)
1557267-42-1

>  <URL> (904)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/02252511162D

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.4870   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (905)
965

>  <Formula> (905)
C25H25F3N4O4

>  <MolWeight> (905)
502.4856096

>  <Cat> (905)
S8745

>  <Name> (905)
Naporafenib (LXH254)

>  <Synonyms> (905)
N/A

>  <Target> (905)
Raf

>  <Form> (905)
Free Base

>  <CAS> (905)
1800398-38-2

>  <URL> (905)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/02252511162D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (906)
966

>  <Formula> (906)
C22H18N4

>  <MolWeight> (906)
338.40512

>  <Cat> (906)
S8749

>  <Name> (906)
MBQ-167

>  <Synonyms> (906)
N/A

>  <Target> (906)
Rho

>  <Form> (906)
Free Base

>  <CAS> (906)
2097938-73-1

>  <URL> (906)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/02252511162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
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  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
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  7 31  1  0  0  0  0
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M  END
>  <Mol_ID> (907)
967

>  <Formula> (907)
C21H25F3N6O2

>  <MolWeight> (907)
450.4574096

>  <Cat> (907)
S8752

>  <Name> (907)
leniolisib (CDZ 173)

>  <Synonyms> (907)
N/A

>  <Target> (907)
PI3K

>  <Form> (907)
Free Base

>  <CAS> (907)
1354690-24-6

>  <URL> (907)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/02252511162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (908)
968

>  <Formula> (908)
C19H15N3O6S

>  <MolWeight> (908)
413.4039

>  <Cat> (908)
S8754

>  <Name> (908)
Alofanib (RPT835)

>  <Synonyms> (908)
N/A

>  <Target> (908)
FGFR

>  <Form> (908)
Free Base

>  <CAS> (908)
1612888-66-0

>  <URL> (908)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (909)
969

>  <Formula> (909)
C24H21BrFN5O2

>  <MolWeight> (909)
510.3582432

>  <Cat> (909)
S8757

>  <Name> (909)
Ripretinib (DCC-2618)

>  <Synonyms> (909)
N/A

>  <Target> (909)
c-Kit,PDGFR

>  <Form> (909)
Free Base

>  <CAS> (909)
1442472-39-0

>  <URL> (909)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/02252511162D

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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 11 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 11  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  7  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 27  2  0  0  0  0
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 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (910)
970

>  <Formula> (910)
C26H23FN8O

>  <MolWeight> (910)
482.5122232

>  <Cat> (910)
S8764

>  <Name> (910)
IITZ-01

>  <Synonyms> (910)
N/A

>  <Target> (910)
Autophagy

>  <Form> (910)
Free Base

>  <CAS> (910)
1807988-47-1

>  <URL> (910)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/02252511162D

 48 52  0  0  0  0  0  0  0  0999 V2000
   10.9354    3.4844    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1564    4.1688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7964    7.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1997    6.3076    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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 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 18 24  1  1  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 25  1  0  0  0  0
 22 28  1  0  0  0  0
 25 29  1  1  0  0  0
 28 30  1  0  0  0  0
 31 29  1  1  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  6  0  0  0
 37 40  1  0  0  0  0
 37 41  1  1  0  0  0
 38 42  1  1  0  0  0
 38 40  1  0  0  0  0
 40 43  1  6  0  0  0
 41 44  1  0  0  0  0
M  END
>  <Mol_ID> (911)
971

>  <Formula> (911)
C36H62O8

>  <MolWeight> (911)
622.87268

>  <Cat> (911)
S9023

>  <Name> (911)
20S-Ginsenoside Rh2

>  <Synonyms> (911)
(3b, 12b)-12, 20-Dihydroxydammar-24-en-3-yl b-D-glucopyranoside; ¦¤20(22)-Ginsenoside Rg6; (20E)-Ginsenoside F4

>  <Target> (911)
Immunology & Inflammation related

>  <Form> (911)
free base

>  <CAS> (911)
78214-33-2

>  <URL> (911)
https://www.selleckchem.com/products/20s-ginsenoside-rh2.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/02252511162D

 46 50  0  0  0  0  0  0  0  0999 V2000
   12.1266    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    3.5018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9159    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    6.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4945    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7717    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9824    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.9824    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9156    6.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0856   10.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2982    8.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
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 10  2  1  0  0  0  0
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 13  9  1  0  0  0  0
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 21 22  1  0  0  0  0
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 33 44  1  0  0  0  0
 22 35  1  1  0  0  0
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 12 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  5 23  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (912)
972

>  <Formula> (912)
C38H46O8

>  <MolWeight> (912)
630.76704

>  <Cat> (912)
S9031

>  <Name> (912)
Gambogenic acid

>  <Target> (912)
EZH1/2,FGFR

>  <Form> (912)
free base

>  <CAS> (912)
173932-75-7

>  <URL> (912)
https://www.selleckchem.com/products/gambogenic-acid.html

$$$$
S9071 Nootkatone.cdx
csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6371    2.1020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6371    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    2.8024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6371    3.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0594    2.1026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2097    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0645    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2742    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2742    4.2071    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
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  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
  6 11  1  0  0  0  0
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  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (913)
973

>  <Formula> (913)
C15H22O

>  <MolWeight> (913)
218.33458

>  <Cat> (913)
S9071

>  <Name> (913)
Nootkatone

>  <Target> (913)
Immunology & Inflammation related

>  <Form> (913)
free base

>  <CAS> (913)
4674-50-4

>  <URL> (913)
https://www.selleckchem.com/products/nootkatone.html

$$$$
S9075 Mulberroside A.cdx
csChFnd80/02252511162D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    4.8498    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1868    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3992    6.2998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3992    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8242    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    4.1998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8242    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1868    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
  2 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 23 28  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 39 40  1  0  0  0  0
 30 38  1  0  0  0  0
 30 29  1  1  0  0  0
 25 29  1  0  0  0  0
 21 22  1  0  0  0  0
 15 20  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
>  <Mol_ID> (914)
974

>  <Formula> (914)
C26H32O14

>  <MolWeight> (914)
568.52388

>  <Cat> (914)
S9075

>  <Name> (914)
Mulberroside A

>  <Synonyms> (914)
FM74212

>  <Target> (914)
Caspase,ERK,Interleukins,JNK,NF-¦ÊB,p38 MAPK,TNF-alpha

>  <Form> (914)
free base

>  <CAS> (914)
102841-42-9

>  <URL> (914)
https://www.selleckchem.com/products/mulberroside-a.html

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    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
    7.2745    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (915)
975

>  <Formula> (915)
C21H20O6

>  <MolWeight> (915)
368.3799

>  <Cat> (915)
S9080

>  <Name> (915)
Anhydroicaritin

>  <Synonyms> (915)
Cycloicaritin

>  <Target> (915)
Others

>  <Form> (915)
free base

>  <CAS> (915)
118525-40-9

>  <URL> (915)
https://www.selleckchem.com/products/anhydroicaritin.html

$$$$
S9084 Rhoifolin.cdx
csChFnd80/02252511162D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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    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  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 17 14  1  1  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  6  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 27 23  1  1  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  6  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  6  0  0  0
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  6  0  0  0
 37 40  1  6  0  0  0
 37 38  1  0  0  0  0
 38 41  1  1  0  0  0
M  END
>  <Mol_ID> (916)
976

>  <Formula> (916)
C27H30O14

>  <MolWeight> (916)
578.5187

>  <Cat> (916)
S9084

>  <Name> (916)
Rhoifolin

>  <Synonyms> (916)
Rhoifoloside, Apigenin 7-O-neohesperidoside, Apigenin-7-O-rhamnoglucoside

>  <Target> (916)
Anti-infection,Immunology & Inflammation related

>  <Form> (916)
free base

>  <CAS> (916)
17306-46-6

>  <URL> (916)
https://www.selleckchem.com/products/rhoifolin.html

$$$$
S9092 Norisoboldine.cdx
csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8494    2.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564    1.3999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0882    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952    3.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0352    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5128    4.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4599    0.6847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8846    5.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3270    6.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6811    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    0.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212    3.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5481    7.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2387    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  2  0  0  0  0
  5  3  1  0  0  0  0
  7  3  2  0  0  0  0
 10  4  1  0  0  0  0
 12  4  1  0  0  0  0
 14  5  1  0  0  0  0
  5 24  1  6  0  0  0
 10  5  1  0  0  0  0
  9  6  1  0  0  0  0
 16  6  1  0  0  0  0
 21  7  1  0  0  0  0
 11  7  1  0  0  0  0
 13  8  2  0  0  0  0
 11  9  2  0  0  0  0
 17  9  1  0  0  0  0
 15 12  2  0  0  0  0
 15 13  1  0  0  0  0
 20 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 22 17  1  0  0  0  0
 18 21  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (917)
977

>  <Formula> (917)
C18H19NO4

>  <MolWeight> (917)
313.34776

>  <Cat> (917)
S9092

>  <Name> (917)
Norisoboldine

>  <Synonyms> (917)
Laurelliptine

>  <Target> (917)
AhR

>  <Form> (917)
free base

>  <CAS> (917)
23599-69-1

>  <URL> (917)
https://www.selleckchem.com/products/norisoboldine.html

$$$$
S9100 Fraxinellone.cdx
csChFnd80/02252511162D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4309    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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978

>  <Formula> (918)
C14H16O3

>  <MolWeight> (918)
232.27504

>  <Cat> (918)
S9100

>  <Name> (918)
Fraxinellone

>  <Target> (918)
Immunology & Inflammation related

>  <Form> (918)
free base

>  <CAS> (918)
28808-62-0

>  <URL> (918)
https://www.selleckchem.com/products/fraxinellone.html

$$$$

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979

>  <Formula> (919)
C20H28O5

>  <MolWeight> (919)
348.43332

>  <Cat> (919)
S9101

>  <Name> (919)
Ingenol

>  <Target> (919)
PKC

>  <Form> (919)
free base

>  <CAS> (919)
30220-46-3

>  <URL> (919)
https://www.selleckchem.com/products/ingenol.html

$$$$
S9102 Magnolin.cdx
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>  <Mol_ID> (920)
980

>  <Formula> (920)
C23H28O7

>  <MolWeight> (920)
416.46422

>  <Cat> (920)
S9102

>  <Name> (920)
Magnolin

>  <Target> (920)
ERK

>  <Form> (920)
free Base

>  <CAS> (920)
31008-18-1

>  <URL> (920)
https://www.selleckchem.com/products/magnolin.html

$$$$
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csChFnd80/02252511162D

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M  END
>  <Mol_ID> (921)
981

>  <Formula> (921)
C39H64O13

>  <MolWeight> (921)
740.91766

>  <Cat> (921)
S9108

>  <Name> (921)
Timosaponin A3

>  <Synonyms> (921)
Filiferin B, AneMarsaponin A3

>  <Target> (921)
Others

>  <Form> (921)
free base

>  <CAS> (921)
41059-79-4

>  <URL> (921)
https://www.selleckchem.com/products/timosaponin-a3.html

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6120    6.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    4.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    6.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    6.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    4.1707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0367    6.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992    8.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873    6.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3745    8.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0534    4.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    4.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2407    6.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9362    2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (922)
982

>  <Formula> (922)
C16H12O7

>  <MolWeight> (922)
316.26228

>  <Cat> (922)
S9111

>  <Name> (922)
Isorhamnetin

>  <Synonyms> (922)
3-methylquercetin, 3'-Methoxyquercetin, Isorhamnetol

>  <Target> (922)
Tyrosinase

>  <Form> (922)
free base

>  <CAS> (922)
480-19-3

>  <URL> (922)
https://www.selleckchem.com/products/isorhamnetin.html

$$$$
S9112 Kaempferitrin.cdx
csChFnd80/02252511162D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9085    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9084    4.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1209    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6751    2.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6711    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1209    4.9101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1100    0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3161    2.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4725    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4725    4.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6711    6.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1209    6.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3161    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5187    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3225    7.0159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9231    7.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5169    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0488    2.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478    4.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    6.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3225    8.4059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5350    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9217    8.4038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7294    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    2.1061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1179    9.1062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5349    9.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    9.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    2.8053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1179   10.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203    4.2192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4104    2.1078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065    4.9131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8327    4.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2165    4.1773    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4065    6.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    4.8773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  6  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  1  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 21  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 31 27  1  6  0  0  0
 28 32  1  6  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  1  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  1  0  0  0
 37 40  1  1  0  0  0
 37 38  1  0  0  0  0
 38 41  1  6  0  0  0
M  END
>  <Mol_ID> (923)
983

>  <Formula> (923)
C27H30O14

>  <MolWeight> (923)
578.5187

>  <Cat> (923)
S9112

>  <Name> (923)
Kaempferitrin

>  <Synonyms> (923)
Lespenefril, Lespedin, Lespenephryl, Kaempferol 3,7-dirhamnoside

>  <Target> (923)
Anti-infection,Immunology & Inflammation related

>  <Form> (923)
free base

>  <CAS> (923)
482-38-2

>  <URL> (923)
https://www.selleckchem.com/products/kaempferitrin.html

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/02252511162D

 65 73  0  0  0  0  0  0  0  0999 V2000
   12.1362   10.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    9.2065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3470    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3470   11.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7686   11.3011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2041   11.3011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2041   12.7067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9865   13.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686   12.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081   13.4026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6189   12.7067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6189   11.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081   14.8013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.5648   12.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6192    1.3987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8300    2.0946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8300    3.5002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6192    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0408    4.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0408    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.8065   17.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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
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  4  7  2  0  0  0  0
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 10  5  1  0  0  0  0
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 62 65  1  1  0  0  0
M  END
>  <Mol_ID> (924)
984

>  <Formula> (924)
C44H70O16

>  <MolWeight> (924)
855.017

>  <Cat> (924)
S9114

>  <Name> (924)
Polyphyllin I

>  <Target> (924)
JNK

>  <Form> (924)
free base

>  <CAS> (924)
50773-41-6

>  <URL> (924)
https://www.selleckchem.com/products/polyphyllin-i.html

$$$$
S9118 Beta-Asarone.cdx
csChFnd80/02252511162D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   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
    6.0622    4.9000    0.0000 O   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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (925)
985

>  <Formula> (925)
C12H16O3

>  <MolWeight> (925)
208.25364

>  <Cat> (925)
S9118

>  <Name> (925)
Beta-Asarone

>  <Target> (925)
Others

>  <Form> (925)
free base

>  <CAS> (925)
5273-86-9

>  <URL> (925)
https://www.selleckchem.com/products/beta-asarone.html

$$$$
S9120 Scutellarein.cdx
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6532    2.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    4.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    2.0722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462    2.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0780    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284    2.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    4.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8389    6.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    4.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    6.2535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2958    2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214    2.0351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3065    0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5028    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7313    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    0.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (926)
986

>  <Formula> (926)
C15H10O6

>  <MolWeight> (926)
286.2363

>  <Cat> (926)
S9120

>  <Name> (926)
Scutellarein

>  <Synonyms> (926)
6-Hydroxyapigenin

>  <Target> (926)
Antiviral,Immunology & Inflammation related

>  <Form> (926)
free base/salt 

>  <CAS> (926)
529-53-3

>  <URL> (926)
https://www.selleckchem.com/products/scutellarein.html

$$$$
S9127 Carnosol.cdx
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4021    3.6845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5901    4.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    2.2887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6433    2.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1979    4.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    3.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5602    5.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971    1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    1.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3279    1.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0029    3.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087    3.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    2.3309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9611    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7654    6.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703    6.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7148    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9696    5.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681    8.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4075    6.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8510    5.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4033    8.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5081    0.8188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  6  0  0  0
  4 10  1  0  0  0  0
  4 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  2  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 13 10  1  1  0  0  0
 12 17  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (927)
987

>  <Formula> (927)
C20H26O4

>  <MolWeight> (927)
330.41804

>  <Cat> (927)
S9127

>  <Name> (927)
Carnosol

>  <Target> (927)
Immunology & Inflammation related

>  <Form> (927)
free base

>  <CAS> (927)
5957-80-2

>  <URL> (927)
https://www.selleckchem.com/products/carnosol.html

$$$$
S9141 Berbamine.cdx
csChFnd80/02252511162D

 45 51  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    5.8617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654    6.2263    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7398    7.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7530    8.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3811    8.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1420    7.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222    9.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868   10.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904    9.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9768   12.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   11.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6333    4.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608    5.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    4.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9676    3.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2134    1.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3838    3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3194    1.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4867    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709    1.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8120    1.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8116    3.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6855    3.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5028    3.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9441    3.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9436    5.3435    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3255    5.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784    7.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5820    8.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2121    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8633    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1914    8.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7893    8.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4561    7.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4681    6.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3154    4.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0661    6.8139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7893    9.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0017   10.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8347   11.3220    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
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
  9 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 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
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 35 39  2  0  0  0  0
 31 40  1  0  0  0  0
 38 41  1  0  0  0  0
 41  7  1  0  0  0  0
  8 42  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (928)
988

>  <Formula> (928)
C37H40N2O6

>  <MolWeight> (928)
608.7233

>  <Cat> (928)
S9141

>  <Name> (928)
Berbamine

>  <Synonyms> (928)
BA, BBM

>  <Target> (928)
Apoptosis related,Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (928)
free base

>  <CAS> (928)
478-61-5

>  <URL> (928)
https://www.selleckchem.com/products/berbamine.html

$$$$
S9152 Epiberberine.cdx
csChFnd80/02252511162D

 25 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   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
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  3  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
    8.4870    6.3000    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
   11.9523    7.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    8.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 11 15  1  0  0  0  0
 16 17  2  0  0  0  0
 15 17  1  0  0  0  0
  7 14  1  0  0  0  0
  8 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
  1 21  2  0  0  0  0
  2 18  2  0  0  0  0
 22 23  1  0  0  0  0
 19 22  1  0  0  0  0
 24 25  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (929)
989

>  <Formula> (929)
C20H18NO4+

>  <MolWeight> (929)
336.36122

>  <Cat> (929)
S9152

>  <Name> (929)
Epiberberine

>  <Target> (929)
Others

>  <Form> (929)
free base

>  <CAS> (929)
6873-09-2

>  <URL> (929)
https://www.selleckchem.com/products/epiberberine.html

$$$$
S9159 Momordin Ic.cdx
csChFnd80/02252511162D

 59 65  0  0  0  0  0  0  0  0999 V2000
    1.3599    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9791    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1976    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9911    4.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2257    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001    5.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315    5.5681    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4080    4.1721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5986    3.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6457    6.2496    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.0668    6.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3095    8.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7298    8.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1470    5.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1470    8.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3581    7.5996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.3530    6.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5572    5.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7742    6.1900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7792    7.5909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5673    8.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1830    4.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    6.9765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8305    6.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7107    4.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9844    8.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7679    4.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3941    2.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6336    4.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5135    9.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7176    9.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3510    9.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5551    9.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9844    5.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916    4.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4159    6.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4241    4.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5426    0.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9217    3.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4923    3.4068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1  2  1  0  0  0  0
 27 30  1  6  0  0  0
  1  4  1  0  0  0  0
 28 31  1  1  0  0  0
  2  3  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5  9  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 17 18  1  0  0  0  0
 10 38  1  1  0  0  0
  6  7  1  0  0  0  0
 13 39  1  1  0  0  0
  7  8  1  0  0  0  0
 18 40  1  1  0  0  0
  8 10  1  0  0  0  0
 26 41  1  1  0  0  0
  9 10  1  0  0  0  0
 36 42  1  1  0  0  0
  3  6  1  0  0  0  0
  5 43  1  6  0  0  0
  5  4  1  0  0  0  0
  6 44  1  6  0  0  0
 17 22  1  0  0  0  0
 14 45  1  6  0  0  0
 18 19  1  0  0  0  0
 17 46  1  6  0  0  0
 19 20  1  0  0  0  0
 24 47  1  6  0  0  0
 20 21  1  0  0  0  0
 29 48  1  6  0  0  0
 21 22  1  0  0  0  0
 32 49  1  6  0  0  0
  5  6  1  0  0  0  0
 37 50  1  6  0  0  0
 20 23  1  6  0  0  0
 35 51  1  6  0  0  0
  1 52  1  0  0  0  0
 23 24  1  0  0  0  0
  1 53  1  0  0  0  0
 24 25  1  0  0  0  0
 19 54  1  0  0  0  0
  9 12  2  0  0  0  0
 19 55  1  0  0  0  0
 10 14  1  0  0  0  0
 44 56  1  0  0  0  0
 13 11  1  0  0  0  0
 44 57  2  0  0  0  0
 11 12  1  0  0  0  0
 41 58  1  0  0  0  0
 13 14  1  0  0  0  0
 41 59  2  0  0  0  0
M  END
>  <Mol_ID> (930)
990

>  <Formula> (930)
C41H64O13

>  <MolWeight> (930)
764.93906

>  <Cat> (930)
S9159

>  <Name> (930)
momordin-Ic

>  <Target> (930)
SUMO

>  <Form> (930)
free base

>  <CAS> (930)
96990-18-0

>  <URL> (930)
https://www.selleckchem.com/products/momordin-ic.html

$$$$
S9162 Rubimaillin.cdx
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.7915    5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7969    4.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9978    6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    6.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0112    3.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    3.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2044    5.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925    7.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772    5.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2108    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0112    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    4.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4089    6.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    8.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839    6.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4232    3.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8045    1.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2295    1.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4072    7.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (931)
991

>  <Formula> (931)
C17H16O4

>  <MolWeight> (931)
284.30654

>  <Cat> (931)
S9162

>  <Name> (931)
Rubimaillin

>  <Synonyms> (931)
Mollugin

>  <Target> (931)
Acyltransferase

>  <Form> (931)
free base

>  <CAS> (931)
55481-88-4

>  <URL> (931)
https://www.selleckchem.com/products/rubimaillin.html

$$$$
S9172 Phellodendrine.cdx
csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    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
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  8  1  1  0  0  0  0
 17  1  1  0  0  0  0
 19  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  2  1  0  0  0  0
  2 26  1  6  0  0  0
  9  3  2  0  0  0  0
  7  3  1  0  0  0  0
  4  6  2  0  0  0  0
 11  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
 13  6  1  0  0  0  0
  7 18  1  0  0  0  0
 12  7  2  0  0  0  0
 10  9  1  0  0  0  0
 20 10  1  0  0  0  0
 15 10  2  0  0  0  0
 11 14  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 14 16  1  0  0  0  0
 21 14  1  0  0  0  0
 23 15  1  0  0  0  0
 22 16  1  0  0  0  0
 18 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (932)
992

>  <Formula> (932)
C20H24NO4+

>  <MolWeight> (932)
342.40886

>  <Cat> (932)
S9172

>  <Name> (932)
Phellodendrine

>  <Target> (932)
Immunology & Inflammation related

>  <Form> (932)
free base

>  <CAS> (932)
6873-13-8

>  <URL> (932)
https://www.selleckchem.com/products/phellodendrine.html

$$$$
S9184 Forsythoside B.cdx
csChFnd80/02252511162D

 53 57  0  0  0  0  0  0  0  0999 V2000
    9.6983    7.7016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6983    6.3013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9107    5.6012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1229    6.3013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1229    7.7016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9107    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5476    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7597    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1908    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1908    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6155    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6155    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983    3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4860    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2738    2.1004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4860    1.4003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6983    2.1004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2738    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    9.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    7.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983   10.5022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9754    9.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9155   10.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   12.1814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8474   11.8962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5702   12.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   13.5817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8102   12.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7825   11.8442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  5  7  1  1  0  0  0
  3 18  1  1  0  0  0
  1 19  1  1  0  0  0
  4 20  1  6  0  0  0
  2 21  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 19 32  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 31  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 22 18  1  1  0  0  0
 27 42  1  6  0  0  0
 25 43  1  1  0  0  0
 26 41  1  6  0  0  0
 24 44  1  6  0  0  0
 45 32  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 45  1  0  0  0  0
 48 50  1  1  0  0  0
 48 51  1  6  0  0  0
 49 52  1  6  0  0  0
 50 53  1  0  0  0  0
M  END
>  <Mol_ID> (933)
993

>  <Formula> (933)
C34H44O19

>  <MolWeight> (933)
756.70176

>  <Cat> (933)
S9184

>  <Name> (933)
Forsythoside B

>  <Target> (933)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (933)
free base

>  <CAS> (933)
81525-13-5

>  <URL> (933)
https://www.selleckchem.com/products/forsythoside-b.html

$$$$
S9190 Oroxin B.cdx
csChFnd80/02252511162D

 42 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  1  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
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 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
 22 26  1  6  0  0  0
 24 27  1  6  0  0  0
 23 28  1  1  0  0  0
 25 29  1  1  0  0  0
  2 30  1  0  0  0  0
 26 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  6  0  0  0
 34 39  1  6  0  0  0
 37 40  1  1  0  0  0
 35 41  1  1  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (934)
994

>  <Formula> (934)
C27H30O15

>  <MolWeight> (934)
594.5181

>  <Cat> (934)
S9190

>  <Name> (934)
Oroxin B

>  <Synonyms> (934)
Hypocretin-2

>  <Target> (934)
Akt,Apoptosis related,COX,PI3K,PTEN

>  <Form> (934)
free base

>  <CAS> (934)
114482-86-9

>  <URL> (934)
https://www.selleckchem.com/products/oroxin-b.html

$$$$

csChFnd80/02252511162D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.7688    8.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839    7.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533    5.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    7.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267    8.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    7.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9838    7.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3463    3.4493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    4.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054    4.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4958    2.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5300    1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2295    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1614    2.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435    4.9499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9186    4.3718    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  2 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 13 20  2  0  0  0  0
  3 12  2  0  0  0  0
M  END
>  <Mol_ID> (935)
995

>  <Formula> (935)
C16H11N3O2

>  <MolWeight> (935)
277.27744

>  <Cat> (935)
S2009

>  <Name> (935)
Indirubin-3'-monoxime

>  <Synonyms> (935)
Indirubin-3'-oxime

>  <Target> (935)
CDK

>  <Form> (935)
Free Base

>  <CAS> (935)
160807-49-8

>  <URL> (935)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0018    8.6912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7019    7.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    6.4382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4861    7.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6324    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    6.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    7.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    4.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6638    6.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0942    7.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9171    8.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3095    8.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8789    7.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0562    5.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 18 23  1  0  0  0  0
 27 28  1  0  0  0  0
 16 27  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (936)
996

>  <Formula> (936)
C20H20N4O3S

>  <MolWeight> (936)
396.4628

>  <Cat> (936)
S2039

>  <Name> (936)
IRAK inhibitor 6

>  <Synonyms> (936)
N/A

>  <Target> (936)
IRAK

>  <Form> (936)
Free Base

>  <CAS> (936)
1042672-97-8

>  <URL> (936)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/02252511162D

 51 56  0  0  0  0  0  0  0  0999 V2000
    6.0612    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    8.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2734    7.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4856    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9101    8.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9101    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6367    5.5965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8489    6.2968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6367    4.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    8.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0612    4.1956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8421    3.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0612    1.3941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2734    2.0944    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2734    3.4953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4789    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4789    4.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9779   11.9001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9779   10.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1901    9.7989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.4024   10.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4024   11.9001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1901   12.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6146   12.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1901    8.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7657    9.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6146    9.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8268   11.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21  2  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  1  0  0  0
 23 28  1  1  0  0  0
 24 29  1  6  0  0  0
 26 30  1  6  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 35 37  1  1  0  0  0
 28 38  1  0  0  0  0
 36 39  1  6  0  0  0
 34 40  1  1  0  0  0
 41 18  1  6  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 41  1  0  0  0  0
 45 47  1  6  0  0  0
 43 48  1  6  0  0  0
 42 49  1  1  0  0  0
 44 50  1  1  0  0  0
 47 51  1  0  0  0  0
M  END
>  <Mol_ID> (937)
997

>  <Formula> (937)
C32H38O19

>  <MolWeight> (937)
726.63272

>  <Cat> (937)
S9230

>  <Name> (937)
Vaccarin

>  <Target> (937)
Others

>  <Form> (937)
free base

>  <CAS> (937)
53452-16-7

>  <URL> (937)
https://www.selleckchem.com/products/vaccarin.html

$$$$
S9240 Isofraxidin.cdx
csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   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
  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
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (938)
998

>  <Formula> (938)
C11H10O5

>  <MolWeight> (938)
222.1941

>  <Cat> (938)
S9240

>  <Name> (938)
Isofraxidin

>  <Synonyms> (938)
6,8-Dimethoxyumbelliferone

>  <Target> (938)
Immunology & Inflammation related

>  <Form> (938)
free base

>  <CAS> (938)
486-21-5

>  <URL> (938)
https://www.selleckchem.com/products/isofraxidin.html

$$$$
S9242 Narirutin.cdx
csChFnd80/02252511162D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.6990    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    9.7997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6369   10.4997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    3.4997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9113    7.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6990    9.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    9.7997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2128    2.0997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4246    4.1998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8494    8.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9113   10.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    8.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    7.6998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4865    7.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1237    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1238    9.7997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6376    2.1003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2742    9.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4865   10.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617   10.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4245    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3361   10.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9113    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   11.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2121    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4865    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7610   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5486   12.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7610   10.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9734   12.5995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  6  0  0  0
  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 24  1  6  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 14  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  1  2  0  0  0  0
 16 19  1  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 23  2  0  0  0  0
 21  6  2  0  0  0  0
 22 20  1  0  0  0  0
 23 15  1  0  0  0  0
 24 26  1  0  0  0  0
 18 25  1  6  0  0  0
 14 26  1  6  0  0  0
 27  5  2  0  0  0  0
  3 28  1  1  0  0  0
  4 29  1  1  0  0  0
  8 30  1  1  0  0  0
  7 31  1  6  0  0  0
 32 25  1  0  0  0  0
 33 25  2  0  0  0  0
 12 34  1  1  0  0  0
 35 15  1  0  0  0  0
 16 36  1  6  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
 39 32  2  0  0  0  0
 40 37  1  0  0  0  0
 19 41  1  1  0  0  0
 20 21  1  0  0  0  0
 18 17  1  0  0  0  0
 37 39  1  0  0  0  0
 12  7  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <Mol_ID> (939)
999

>  <Formula> (939)
C27H32O14

>  <MolWeight> (939)
580.53458

>  <Cat> (939)
S9242

>  <Name> (939)
Narirutin

>  <Synonyms> (939)
Naringenin-7-O-rutinoside, Isonaringin

>  <Target> (939)
Immunology & Inflammation related

>  <Form> (939)
free base

>  <CAS> (939)
14259-46-2

>  <URL> (939)
https://www.selleckchem.com/products/narirutin.html

$$$$
S9275 Isoguanosine.cdx
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7082    2.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8307    4.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (940)
1000

>  <Formula> (940)
C10H13N5O5

>  <MolWeight> (940)
283.24072

>  <Cat> (940)
S9275

>  <Name> (940)
Isoguanosine

>  <Synonyms> (940)
Crotonoside

>  <Target> (940)
FLT3,HDAC

>  <Form> (940)
free base

>  <CAS> (940)
1818-71-9

>  <URL> (940)
https://www.selleckchem.com/products/isoguanosine.html

$$$$

csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6792    4.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8906    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1088    1.8837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3882    2.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  1  1  0  0  0  0
  1  2  1  0  0  0  0
 19  3  2  0  0  0  0
  3 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 16 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 23 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (941)
1001

>  <Formula> (941)
C19H21N3O2S

>  <MolWeight> (941)
355.45394

>  <Cat> (941)
S2070

>  <Name> (941)
ISCK03

>  <Synonyms> (941)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (941)
c-Kit

>  <Form> (941)
Free Base

>  <CAS> (941)
945526-43-2

>  <URL> (941)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   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
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (942)
1002

>  <Formula> (942)
C19H18O8

>  <MolWeight> (942)
374.34142

>  <Cat> (942)
S9288

>  <Name> (942)
Casticin

>  <Synonyms> (942)
Vitexicarpin

>  <Target> (942)
Immunology & Inflammation related

>  <Form> (942)
free base

>  <CAS> (942)
479-91-4

>  <URL> (942)
https://www.selleckchem.com/products/casticin.html

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8437    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    1.4202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2041    1.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    1.4202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4219    2.8255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6327    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719    2.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    4.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6825    4.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    4.2009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11  2  2  0  0  0  0
  2  5  1  0  0  0  0
 14  3  1  0  0  0  0
  5  4  1  0  0  0  0
  9  4  1  0  0  0  0
  4 19  1  6  0  0  0
  6  7  1  0  0  0  0
 13  6  1  0  0  0  0
  6 15  1  6  0  0  0
  9  6  1  0  0  0  0
  7  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7 18  1  1  0  0  0
 12 10  2  0  0  0  0
 16 10  1  0  0  0  0
 13 17  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (943)
1003

>  <Formula> (943)
C15H20O2

>  <MolWeight> (943)
232.3181

>  <Cat> (943)
S9314

>  <Name> (943)
Atractylenolide II

>  <Synonyms> (943)
Asterolide, 2-Atractylenolide

>  <Target> (943)
Others

>  <Form> (943)
free base

>  <CAS> (943)
73069-14-4

>  <URL> (943)
https://www.selleckchem.com/products/atractylenolide-ii.html

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    4.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7744    5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4573    7.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2872    8.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 16 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (944)
1004

>  <Formula> (944)
C21H22O7

>  <MolWeight> (944)
386.39518

>  <Cat> (944)
S9315

>  <Name> (944)
Praeruptorin A

>  <Target> (944)
Akt,Calcium Channel,p38 MAPK

>  <Form> (944)
free base

>  <CAS> (944)
73069-25-7

>  <URL> (944)
https://www.selleckchem.com/products/praeruptorin-a-1.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/02252511162D

 16 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (945)
1005

>  <Formula> (945)
C14H28O2

>  <MolWeight> (945)
228.37092

>  <Cat> (945)
S5617

>  <Name> (945)
Myristic Acid

>  <Synonyms> (945)
Tetradecanoic acid

>  <Target> (945)
Src

>  <Form> (945)
free base

>  <CAS> (945)
544-63-8

>  <URL> (945)
https://www.selleckchem.com/products/myristic-acid.html

$$$$
S9041 Corosolic acid.cdx
csChFnd80/02252511162D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.2808    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299    3.4831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0640    3.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4768    6.2736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6938    5.5813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8469    4.1754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6299    2.0982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4130    1.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640    6.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130    4.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8058    4.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768    7.6584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.7277    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2808    8.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6519    9.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    2.8955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  0  0  0  0
 10  1  2  0  0  0  0
  2  7  1  0  0  0  0
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 11  2  1  0  0  0  0
  2 25  1  1  0  0  0
  4  3  1  0  0  0  0
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  6  5  1  0  0  0  0
 14  5  1  0  0  0  0
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  6 13  1  1  0  0  0
 19  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  0  0  0  0
  7 35  1  6  0  0  0
  9  8  1  0  0  0  0
  8 37  1  6  0  0  0
  8 20  1  0  0  0  0
 31  9  1  0  0  0  0
 32  9  1  0  0  0  0
 12  9  1  0  0  0  0
 18 10  1  0  0  0  0
 15 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  1  0  0  0
 22 13  2  0  0  0  0
 28 13  1  0  0  0  0
 23 14  1  0  0  0  0
 14 33  1  1  0  0  0
 15 30  1  6  0  0  0
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 23 34  1  6  0  0  0
M  END
>  <Mol_ID> (946)
1006

>  <Formula> (946)
C30H48O4

>  <MolWeight> (946)
472.69972

>  <Cat> (946)
S9041

>  <Name> (946)
Corosolic acid

>  <Synonyms> (946)
Glucosol, Colosic acid, 2¦Á-Hydroxyursolic acid

>  <Target> (946)
NF-¦ÊB

>  <Form> (946)
free base

>  <CAS> (946)
4547-24-4

>  <URL> (946)
https://www.selleckchem.com/products/corosolic-acid.html

$$$$
S9035 Isovitexin.cdx
csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
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  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
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  9 14  1  0  0  0  0
 11 16  1  0  0  0  0
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 12 16  1  0  0  0  0
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 20 24  2  0  0  0  0
 24 25  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (947)
1007

>  <Formula> (947)
C21H20O10

>  <MolWeight> (947)
432.3775

>  <Cat> (947)
S9035

>  <Name> (947)
Isovitexin

>  <Synonyms> (947)
saponaretin, Apigenin-6-C-glucoside

>  <Target> (947)
Immunology & Inflammation related

>  <Form> (947)
free base

>  <CAS> (947)
29702-25-8

>  <URL> (947)
https://www.selleckchem.com/products/isovitexin.html

$$$$
S9042 Wedelolactone.cdx
csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.9691    3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3621    2.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1865    1.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  2  1  0  0  0  0
  9  3  1  0  0  0  0
 17  3  2  0  0  0  0
 10  4  1  0  0  0  0
  4  8  2  0  0  0  0
  7  5  2  0  0  0  0
 11  5  1  0  0  0  0
  6  7  1  0  0  0  0
 12  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  1  0  0  0  0
 15 10  2  0  0  0  0
 19 10  1  0  0  0  0
 14 11  2  0  0  0  0
 16 12  2  0  0  0  0
 18 13  2  0  0  0  0
 20 14  1  0  0  0  0
 16 14  1  0  0  0  0
 15 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (948)
1008

>  <Formula> (948)
C16H10O7

>  <MolWeight> (948)
314.2464

>  <Cat> (948)
S9042

>  <Name> (948)
Wedelolactone

>  <Synonyms> (948)
FW73945

>  <Target> (948)
Caspase,I¦ÊB/IKK

>  <Form> (948)
free base

>  <CAS> (948)
524-12-9

>  <URL> (948)
https://www.selleckchem.com/products/wedelolactone.html

$$$$
S9022 20S-Ginsenoside Rg3.cdx
csChFnd80/02252511162D

 59 64  0  0  0  0  0  0  0  0999 V2000
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   13.6888    7.7888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9205    5.5735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1002    7.7888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7078    3.4979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1331    6.2729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7078    2.0754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.2417   14.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (949)
1009

>  <Formula> (949)
C42H72O13

>  <MolWeight> (949)
785.01328

>  <Cat> (949)
S9022

>  <Name> (949)
20S-Ginsenoside Rg3

>  <Synonyms> (949)
3b-[2-O-b-D-Glucopyranosyl-b-D-glucopyranosyl)oxy]-dammar-24-ene-12b, 20 diol

>  <Target> (949)
Immunology & Inflammation related

>  <Form> (949)
free base

>  <CAS> (949)
14197-60-5

>  <URL> (949)
https://www.selleckchem.com/products/20s-ginsenoside-rg3.html

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8412    3.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6508    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6508    5.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 12  1  0  0  0  0
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 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
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M  END
>  <Mol_ID> (950)
1011

>  <Formula> (950)
C15H8O4

>  <MolWeight> (950)
252.22162

>  <Cat> (950)
S9359

>  <Name> (950)
Anthraquinone-2-carboxylic Acid

>  <Target> (950)
Others

>  <Form> (950)
free base

>  <CAS> (950)
117-78-2

>  <URL> (950)
https://www.selleckchem.com/products/anthraquinone-2-carboxylic-acid.html

$$$$
S9376 Benzylacetone.cdx
csChFnd80/02252511162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4385    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
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M  END
>  <Mol_ID> (951)
1012

>  <Formula> (951)
C10H12O

>  <MolWeight> (951)
148.20168

>  <Cat> (951)
S9376

>  <Name> (951)
Benzylacetone

>  <Synonyms> (951)
4-Phenyl-2-butanone, Methyl 2-phenylethyl ketone

>  <Target> (951)
Tyrosinase

>  <Form> (951)
free base

>  <CAS> (951)
2550-26-7

>  <URL> (951)
https://www.selleckchem.com/products/benzylacetone.html

$$$$

csChFnd80/02252511162D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    0.0285    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 24  1  0  0  0  0
M  END
>  <Mol_ID> (952)
1013

>  <Formula> (952)
C24H29N5O3

>  <MolWeight> (952)
435.51876

>  <Cat> (952)
S8772

>  <Name> (952)
LY 3200882

>  <Synonyms> (952)
N/A

>  <Target> (952)
TGF-beta/Smad

>  <Form> (952)
Free Base

>  <CAS> (952)
1898283-02-7

>  <URL> (952)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/02252511162D

 29 33  0  0  0  0  0  0  0  0999 V2000
    5.2594    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 18 13  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
>  <Mol_ID> (953)
1014

>  <Formula> (953)
C24H24N4O

>  <MolWeight> (953)
384.47356

>  <Cat> (953)
S8775

>  <Name> (953)
HS-1371

>  <Synonyms> (953)
N/A

>  <Target> (953)
RIP kinase

>  <Form> (953)
Free Base

>  <CAS> (953)
2158197-70-5

>  <URL> (953)
http://www.selleckchem.com/products/hs-1371.html

$$$$

csChFnd80/02252511162D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7000    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
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
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 30 25  1  0  0  0  0
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 26 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (954)
1016

>  <Formula> (954)
C22H21F3N6O2

>  <MolWeight> (954)
458.4363496

>  <Cat> (954)
S8801

>  <Name> (954)
CC-90003

>  <Synonyms> (954)
N/A

>  <Target> (954)
ERK

>  <Form> (954)
Free Base

>  <CAS> (954)
1621999-82-3

>  <URL> (954)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/02252511162D

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  4  5  1  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  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
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
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M  END
>  <Mol_ID> (955)
1017

>  <Formula> (955)
C27H19ClN2O3

>  <MolWeight> (955)
454.90436

>  <Cat> (955)
S8803

>  <Name> (955)
MK-3903

>  <Synonyms> (955)
N/A

>  <Target> (955)
AMPK

>  <Form> (955)
Free Base

>  <CAS> (955)
1219737-12-8

>  <URL> (955)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (956)
1018

>  <Formula> (956)
C28H32O16

>  <MolWeight> (956)
624.54408

>  <Cat> (956)
S9455

>  <Name> (956)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (956)
N/A

>  <Target> (956)
Others

>  <Form> (956)
Free Base

>  <CAS> (956)
55033-90-4

>  <URL> (956)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/02252511162D

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   10.7196    3.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0345    5.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
  7  4  1  0  0  0  0
 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
 15 28  1  6  0  0  0
 15 29  1  1  0  0  0
 19 17  1  0  0  0  0
 18 30  1  6  0  0  0
 19 18  1  0  0  0  0
 27 20  1  0  0  0  0
 27 25  1  0  0  0  0
 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
 24 37  2  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <Mol_ID> (957)
1019

>  <Formula> (957)
C30H48O5

>  <MolWeight> (957)
488.69912

>  <Cat> (957)
S9514

>  <Name> (957)
Rotundic acid

>  <Synonyms> (957)
Rutundic acid

>  <Target> (957)
Akt,mTOR,p38 MAPK

>  <Form> (957)
Free Base

>  <CAS> (957)
20137-37-5

>  <URL> (957)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4001    0.0000 C   0  0  0  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
    6.0622    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 12  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (958)
1020

>  <Formula> (958)
C17H16O5

>  <MolWeight> (958)
300.30594

>  <Cat> (958)
S9552

>  <Name> (958)
Farrerol

>  <Synonyms> (958)
N/A

>  <Target> (958)
Others

>  <Form> (958)
Free Base

>  <CAS> (958)
24211-30-1

>  <URL> (958)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/02252511162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (959)
1021

>  <Formula> (959)
C10H8O5

>  <MolWeight> (959)
208.16752

>  <Cat> (959)
S9503

>  <Name> (959)
Fraxetin

>  <Synonyms> (959)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (959)
Heme Oxygenase

>  <Form> (959)
free base

>  <CAS> (959)
574-84-5

>  <URL> (959)
https://www.selleckchem.com/products/fraxetin.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    5.8899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7872    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    6.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    5.8899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    5.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    3.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8644    4.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2644    7.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  1  0  0  0  0
 14 16  1  6  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
 17 21  2  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (960)
1023

>  <Formula> (960)
C14H21N5O2S

>  <MolWeight> (960)
323.41384

>  <Cat> (960)
S8765

>  <Name> (960)
Abrocitinib (PF-04965842)

>  <Synonyms> (960)
N/A

>  <Target> (960)
JAK

>  <Form> (960)
free base

>  <CAS> (960)
1622902-68-4

>  <URL> (960)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/02252511162D

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    4.2000    0.0000 F   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
   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1204    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4898    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898    3.7290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2531    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0593    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2364    0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4516    1.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 28  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (961)
1024

>  <Formula> (961)
C24H26FN7O3

>  <MolWeight> (961)
479.5067432

>  <Cat> (961)
S8780

>  <Name> (961)
AZD3229

>  <Synonyms> (961)
N/A

>  <Target> (961)
c-Kit,PDGFR

>  <Form> (961)
free base

>  <CAS> (961)
2248003-60-1

>  <URL> (961)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4515    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3013    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3013    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5137    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7261    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9386    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1510    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9386    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5759    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5759    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3634    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1510    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (962)
1026

>  <Formula> (962)
C18H11F3N2O

>  <MolWeight> (962)
328.2879496

>  <Cat> (962)
S8807

>  <Name> (962)
PFK158

>  <Synonyms> (962)
N/A

>  <Target> (962)
Autophagy,PFKFB

>  <Form> (962)
free base

>  <CAS> (962)
1462249-75-7

>  <URL> (962)
http://www.selleck.cn/products/pfk158.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (963)
1027

>  <Formula> (963)
C27H24F3N5O2

>  <MolWeight> (963)
507.5069696

>  <Cat> (963)
S8810

>  <Name> (963)
SPHINX31

>  <Synonyms> (963)
N/A

>  <Target> (963)
Serine/threonin kinase

>  <Form> (963)
free base

>  <CAS> (963)
1818389-84-2

>  <URL> (963)
http://www.selleck.cn/products/sphinx31.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (964)
1028

>  <Formula> (964)
C18H21F2N7O

>  <MolWeight> (964)
389.4024464

>  <Cat> (964)
S8804

>  <Name> (964)
Brepocitinib (PF-06700841)

>  <Synonyms> (964)
PF-841

>  <Target> (964)
JAK

>  <Form> (964)
Free Base

>  <CAS> (964)
1883299-62-4

>  <URL> (964)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (965)
1029

>  <Formula> (965)
C30H35N7O2

>  <MolWeight> (965)
525.6446

>  <Cat> (965)
S8817

>  <Name> (965)
Almonertinib (HS-10296)

>  <Synonyms> (965)
Aumolertinib, Ameile

>  <Target> (965)
EGFR

>  <Form> (965)
Free Base

>  <CAS> (965)
1899921-05-1

>  <URL> (965)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/02252511162D

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   15.5192    6.6040    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.2288    4.7556    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  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
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (966)
1030

>  <Formula> (966)
C22H21F4N3O4

>  <MolWeight> (966)
467.4134528

>  <Cat> (966)
S8821

>  <Name> (966)
GSK3179106

>  <Synonyms> (966)
N/A

>  <Target> (966)
c-RET

>  <Form> (966)
Free Base

>  <CAS> (966)
1627856-64-7

>  <URL> (966)
http://www.selleck.cn/products/gsk3179106.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
 11 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
>  <Mol_ID> (967)
1031

>  <Formula> (967)
C15H19Br2ClN4

>  <MolWeight> (967)
450.59916

>  <Cat> (967)
S8840

>  <Name> (967)
SEL120 (SEL120-34A) hydrochloride

>  <Synonyms> (967)
SEL120-34

>  <Target> (967)
CDK

>  <Form> (967)
hydrochloride

>  <CAS> (967)
1609452-30-3

>  <URL> (967)
http://www.selleck.cn/products/sel120.html

$$$$

csChFnd80/02252511162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (968)
1032

>  <Formula> (968)
C19H18N4O3

>  <MolWeight> (968)
350.37122

>  <Cat> (968)
S8684

>  <Name> (968)
Selective JAK3 inhibitor 1

>  <Synonyms> (968)
N/A

>  <Target> (968)
JAK

>  <Form> (968)
Free Base

>  <CAS> (968)
1443235-95-7

>  <URL> (968)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/02252511162D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 14  9  1  0  0  0  0
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 22  7  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (969)
1033

>  <Formula> (969)
C23H20FN7O

>  <MolWeight> (969)
429.4496032

>  <Cat> (969)
S8693

>  <Name> (969)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (969)
N/A

>  <Target> (969)
PI3K

>  <Form> (969)
Free Base

>  <CAS> (969)
2088525-31-7

>  <URL> (969)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/02252511162D

 50 56  0  0  0  0  0  0  0  0999 V2000
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>  <Cat> (970)
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>  <Synonyms> (970)
N/A

>  <Target> (970)
ERK

>  <Form> (970)
Free Base

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1184173-73-6

>  <URL> (970)
http://www.selleck.cn/products/mk-8353-sch900353.html

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>  <MolWeight> (971)
348.35534

>  <Cat> (971)
S8753

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INCB054329

>  <Synonyms> (971)
INCB-054329, INCB-54329

>  <Target> (971)
Epigenetic Reader Domain

>  <Form> (971)
Free Base

>  <CAS> (971)
1628607-64-6

>  <URL> (971)
http://www.selleck.cn/products/incb054329.html

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S8788

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CH7057288

>  <Synonyms> (972)
N/A

>  <Target> (972)
Trk receptor

>  <Form> (972)
Free Base

>  <CAS> (972)
2095616-82-1

>  <URL> (972)
http://www.selleck.cn/products/ch7057288.html

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>  <MolWeight> (973)
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>  <Cat> (973)
S8791

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Zanubrutinib (BGB-3111)

>  <Synonyms> (973)
N/A

>  <Target> (973)
BTK

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Free Base

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1691249-45-2

>  <URL> (973)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

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N/A

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Autophagy,ULK

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2443816-45-1

>  <URL> (974)
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1039

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C21H17N9O2S

>  <MolWeight> (975)
459.48378

>  <Cat> (975)
S8676

>  <Name> (975)
Glumetinib (SCC244)

>  <Synonyms> (975)
N/A

>  <Target> (975)
c-Met,RON

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free base

>  <CAS> (975)
1642581-63-2

>  <URL> (975)
http://www.selleck.cn/products/glumetinib.html

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csChFnd80/02252511162D

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>  <Formula> (976)
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>  <MolWeight> (976)
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>  <Cat> (976)
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>  <Synonyms> (976)
N/A

>  <Target> (976)
Ras

>  <Form> (976)
free base

>  <CAS> (976)
2244904-70-7

>  <URL> (976)
http://www.selleck.cn/products/bay-293.html

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csChFnd80/02252511162D

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>  <Target> (977)
c-Met

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943540-74-7

>  <URL> (977)
http://www.selleck.cn/products/jnj-38877618.html

$$$$

csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (978)
1042

>  <Formula> (978)
C21H31N5O2

>  <MolWeight> (978)
385.50314

>  <Cat> (978)
S8864

>  <Name> (978)
ZT-12-037-01

>  <Synonyms> (978)
N/A

>  <Target> (978)
Serine/threonin kinase

>  <Form> (978)
free base

>  <CAS> (978)
2328073-61-4

>  <URL> (978)
http://www.selleck.cn/products/zt-12-037-01.html

$$$$

csChFnd80/02252511162D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 28 30  1  0  0  0  0
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M  END
>  <Mol_ID> (979)
1044

>  <Formula> (979)
C17H17BrF3N7O2S

>  <MolWeight> (979)
520.3267896

>  <Cat> (979)
S8872

>  <Name> (979)
GSK8612

>  <Synonyms> (979)
N/A

>  <Target> (979)
TBK1

>  <Form> (979)
free base

>  <CAS> (979)
2361659-62-1

>  <URL> (979)
http://www.selleck.cn/products/gsk8612.html

$$$$

csChFnd80/02252511162D

 40 41  0  0  0  0  0  0  0  0999 V2000
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 33 37  1  6  0  0  0
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M  END
>  <Mol_ID> (980)
1045

>  <Formula> (980)
C26H29Cl4FN6O3

>  <MolWeight> (980)
634.3572632

>  <Cat> (980)
S2934

>  <Name> (980)
Ensartinib (X-396) dihydrochloride

>  <Synonyms> (980)
N/A

>  <Target> (980)
ALK

>  <Form> (980)
Dihydrochloride

>  <CAS> (980)
2137030-98-7

>  <URL> (980)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

$$$$

csChFnd80/02252511162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 27  1  1  0  0  0  0
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M  END
>  <Mol_ID> (981)
1046

>  <Formula> (981)
C21H16F3N3O3

>  <MolWeight> (981)
415.3652496

>  <Cat> (981)
S6526

>  <Name> (981)
SKLB 610

>  <Synonyms> (981)
N/A

>  <Target> (981)
FGFR,PDGFR,VEGFR

>  <Form> (981)
Free Base

>  <CAS> (981)
1125780-41-7

>  <URL> (981)
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N/A

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CDK

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Free Base

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189232-42-6

>  <URL> (983)
http://www.selleck.cn/products/bohemine.html

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1191911-27-9

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1453208-66-6

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1051

>  <Formula> (986)
C16H19ClN6O

>  <MolWeight> (986)
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>  <Name> (986)
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>  <Synonyms> (986)
N/A

>  <Target> (986)
CDK

>  <Form> (986)
Free Base

>  <CAS> (986)
212779-48-1

>  <URL> (986)
http://www.selleck.cn/products/ng-52.html

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1052

>  <Formula> (987)
C16H14BrN3O2

>  <MolWeight> (987)
360.20526

>  <Cat> (987)
S6546

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PD153035

>  <Synonyms> (987)
N/A

>  <Target> (987)
EGFR

>  <Form> (987)
Free Base

>  <CAS> (987)
153436-54-5

>  <URL> (987)
http://www.selleck.cn/products/pd153035.html

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csChFnd80/02252511162D

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>  <Mol_ID> (988)
1053

>  <Formula> (988)
C15H11BrN2S

>  <MolWeight> (988)
331.23024

>  <Cat> (988)
S6579

>  <Name> (988)
RCGD423

>  <Synonyms> (988)
N/A

>  <Target> (988)
Interleukins

>  <Form> (988)
Free Base

>  <CAS> (988)
108237-91-8

>  <URL> (988)
http://www.selleck.cn/products/rcgd423.html

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csChFnd80/02252511162D

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M  END
>  <Mol_ID> (989)
1054

>  <Formula> (989)
C30H32ClN7O2

>  <MolWeight> (989)
558.07378

>  <Cat> (989)
S6595

>  <Name> (989)
THZ531

>  <Synonyms> (989)
N/A

>  <Target> (989)
CDK

>  <Form> (989)
Free Base

>  <CAS> (989)
1702809-17-3

>  <URL> (989)
http://www.selleck.cn/products/thz531.html

$$$$

csChFnd80/02252511162D

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1056

>  <Formula> (990)
C20H21N5O4

>  <MolWeight> (990)
395.41184

>  <Cat> (990)
S6598

>  <Name> (990)
IRAK-1-4 Inhibitor I

>  <Synonyms> (990)
N/A

>  <Target> (990)
IRAK

>  <Form> (990)
Free Base

>  <CAS> (990)
509093-47-4

>  <URL> (990)
http://www.selleck.cn/products/irak-1-4-inhibitor-i.html

$$$$

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    2.4254    2.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    6.2986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4666    8.4565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9659    6.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    4.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3376    4.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7239    9.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 22  1  0  0  0  0
  7 18  2  0  0  0  0
  7 25  1  0  0  0  0
  8 25  2  0  0  0  0
  8 31  1  0  0  0  0
  9 26  1  0  0  0  0
  9 31  2  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 32  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (991)
1057

>  <Formula> (991)
C22H21BrCl2N6O

>  <MolWeight> (991)
536.25174

>  <Cat> (991)
S6619

>  <Name> (991)
ABT 702 dihydrochloride

>  <Synonyms> (991)
N/A

>  <Target> (991)
Adenosine Kinase

>  <Form> (991)
Dihydrochloride

>  <CAS> (991)
1188890-28-9

>  <URL> (991)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

$$$$

csChFnd80/02252511162D

 25 29  0  0  0  0  0  0  0  0999 V2000
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    8.5241    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0992    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7405    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1613    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3738    2.7999    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
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
  8 11  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  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
 20 25  2  0  0  0  0
 19 22  2  0  0  0  0
  7 24  1  0  0  0  0
M  END
>  <Mol_ID> (992)
1058

>  <Formula> (992)
C17H16N8

>  <MolWeight> (992)
332.36254

>  <Cat> (992)
S6623

>  <Name> (992)
APY29

>  <Synonyms> (992)
N/A

>  <Target> (992)
IRE1

>  <Form> (992)
Free Base

>  <CAS> (992)
1216665-49-4

>  <URL> (992)
http://www.selleck.cn/products/apy29.html

$$$$

csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4787    5.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 23 24  2  0  0  0  0
 22 24  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 25  1  0  0  0  0
 15 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 26  1  0  0  0  0
 11 27  1  0  0  0  0
  8  9  1  0  0  0  0
  5 28  1  0  0  0  0
M  END
>  <Mol_ID> (993)
1059

>  <Formula> (993)
C18H13ClF2N6O

>  <MolWeight> (993)
402.7852264

>  <Cat> (993)
S6636

>  <Name> (993)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (993)
N/A

>  <Target> (993)
ROCK

>  <Form> (993)
Free Base

>  <CAS> (993)
867017-68-3

>  <URL> (993)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    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
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    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
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  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
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 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
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 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (994)
1060

>  <Formula> (994)
C18H17BrN2O3

>  <MolWeight> (994)
389.24318

>  <Cat> (994)
S6710

>  <Name> (994)
SGC-GAK-1

>  <Synonyms> (994)
N/A

>  <Target> (994)
Serine/threonin kinase

>  <Form> (994)
Free Base

>  <CAS> (994)
2226517-76-4

>  <URL> (994)
http://www.selleck.cn/products/sgc-gak-1.html

$$$$

csChFnd80/02252511162D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 10 15  2  0  0  0  0
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 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 15 18  1  0  0  0  0
 17 18  2  0  0  0  0
  4  8  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (995)
1061

>  <Formula> (995)
C15H9N3O

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N/A

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200134-22-1

>  <URL> (997)
http://www.selleck.cn/products/inh14.html

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PKC

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1874276-76-2

>  <URL> (998)
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330786-25-9

>  <URL> (999)
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  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,000)
1066

>  <Formula> (1,000)
C21H23ClFNO2

>  <MolWeight> (1,000)
375.8642232

>  <Cat> (1,000)
S6727

>  <Name> (1,000)
AX-024 HCl

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
CD markers,IFN,Interleukins,TNF-alpha

>  <Form> (1,000)
Hydrochloride

>  <CAS> (1,000)
1704801-24-0

>  <URL> (1,000)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0  0  0  0
  4  7  1  0  0  0  0
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  5  3  2  0  0  0  0
  3  2  1  0  0  0  0
  8 12  1  0  0  0  0
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 13  9  1  0  0  0  0
  9  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6 11  2  0  0  0  0
 11 15  1  0  0  0  0
 15 14  2  0  0  0  0
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 10  6  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
 20 18  2  0  0  0  0
 18 16  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 28  1  0  0  0  0
 28 26  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,001)
1067

>  <Formula> (1,001)
C22H25ClN6O

>  <MolWeight> (1,001)
424.9265

>  <Cat> (1,001)
S6730

>  <Name> (1,001)
CC-401 Hydrochloride

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
JNK

>  <Form> (1,001)
Hydrochloride

>  <CAS> (1,001)
1438391-30-0

>  <URL> (1,001)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/02252511162D

 27 28  0  0  0  0  0  0  0  0999 V2000
   17.0844    5.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   23.6448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  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
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 13 18  2  0  0  0  0
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 20 21  1  0  0  0  0
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 12 20  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,002)
1068

>  <Formula> (1,002)
C19H22Cl2FN5

>  <MolWeight> (1,002)
410.3158832

>  <Cat> (1,002)
S6734

>  <Name> (1,002)
PF-670462

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
Casein Kinase

>  <Form> (1,002)
Free Base

>  <CAS> (1,002)
950912-80-8

>  <URL> (1,002)
http://www.selleck.cn/products/pf-670462.html

$$$$

csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,003)
1069

>  <Formula> (1,003)
C17H15N5O2

>  <MolWeight> (1,003)
321.3333

>  <Cat> (1,003)
S6740

>  <Name> (1,003)
DB07268

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
Chk,JNK

>  <Form> (1,003)
Free Base

>  <CAS> (1,003)
929007-72-7

>  <URL> (1,003)
http://www.selleck.cn/products/db07268.html

$$$$

csChFnd80/02252511162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  3  9  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  6 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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  1 22  1  6  0  0  0
M  END
>  <Mol_ID> (1,004)
1070

>  <Formula> (1,004)
C16H17N3O2

>  <MolWeight> (1,004)
283.32508

>  <Cat> (1,004)
S6751

>  <Name> (1,004)
Brevianamide F

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
Others

>  <Form> (1,004)
Free Base

>  <CAS> (1,004)
38136-70-8

>  <URL> (1,004)
http://www.selleck.cn/products/brevianamide-f.html

$$$$

csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
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S8843

>  <Name> (1,008)
AZD7648

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
DNA-PK

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Free Base

>  <CAS> (1,008)
2230820-11-6

>  <URL> (1,008)
http://www.selleck.cn/products/azd7648.html

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1076

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C22H22N6O3

>  <MolWeight> (1,009)
418.44848

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S8848

>  <Name> (1,009)
Futibatinib (TAS-120)

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
FGFR

>  <Form> (1,009)
Free Base

>  <CAS> (1,009)
1448169-71-8

>  <URL> (1,009)
http://www.selleck.cn/products/tas-120.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,010)
1077

>  <Formula> (1,010)
C23H16ClFN6OS

>  <MolWeight> (1,010)
478.9291432

>  <Cat> (1,010)
S8853

>  <Name> (1,010)
Belvarafenib (HM95573)

>  <Synonyms> (1,010)
GDC5573, RG6185

>  <Target> (1,010)
Raf

>  <Form> (1,010)
Free Base

>  <CAS> (1,010)
1446113-23-0

>  <URL> (1,010)
http://www.selleck.cn/products/belvarafenib.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,011)
1078

>  <Formula> (1,011)
C15H19N3O2

>  <MolWeight> (1,011)
273.33026

>  <Cat> (1,011)
S8861

>  <Name> (1,011)
Mavacamten (MYK-461)

>  <Synonyms> (1,011)
SAR439152

>  <Target> (1,011)
MLCK

>  <Form> (1,011)
Free Base

>  <CAS> (1,011)
1642288-47-8

>  <URL> (1,011)
http://www.selleck.cn/products/myk-461.html

$$$$

csChFnd80/02252511162D

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MAP4K,TAK1

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1315355-93-1

>  <URL> (1,012)
http://www.selleck.cn/products/ng25.html

$$$$

csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4014    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7076    3.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0770    3.4059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    4.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5728    5.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    5.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    1.7833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    5.0284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3117    6.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6811    6.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6178    5.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9873    5.9016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4199    7.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4831    8.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1137    7.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9157    9.6050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1852    4.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1220    3.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,013)
1080

>  <Formula> (1,013)
C21H19F2N5O

>  <MolWeight> (1,013)
395.4052664

>  <Cat> (1,013)
S8874

>  <Name> (1,013)
PLX5622

>  <Synonyms> (1,013)
N/A

>  <Target> (1,013)
CSF-1R

>  <Form> (1,013)
Free Base

>  <CAS> (1,013)
1303420-67-8

>  <URL> (1,013)
http://www.selleck.cn/products/plx5622.html

$$$$

csChFnd80/02252511162D

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.2124   11.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    5.7924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    8.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    9.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    9.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0532   11.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164   12.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470   11.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144   10.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5490   13.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9184   13.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3511   15.0061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7205   15.2972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4143   16.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1175    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7464    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9546    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 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
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,014)
1082

>  <Formula> (1,014)
C29H34FN5O5

>  <MolWeight> (1,014)
551.6091632

>  <Cat> (1,014)
S8901

>  <Name> (1,014)
Taletrectinib (DS-6051b)

>  <Synonyms> (1,014)
AB-106

>  <Target> (1,014)
ROS1,Trk receptor

>  <Form> (1,014)
Free Base

>  <CAS> (1,014)
1505515-69-4

>  <URL> (1,014)
http://www.selleck.cn/products/ds-6051b.html

$$$$

csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,015)
1083

>  <Formula> (1,015)
C21H25N3O4

>  <MolWeight> (1,015)
383.4409

>  <Cat> (1,015)
S2184

>  <Name> (1,015)
WDR5-0103

>  <Synonyms> (1,015)
WD-Repeat Protein 5-0103

>  <Target> (1,015)
Histone Methyltransferase,WDR5

>  <Form> (1,015)
Free Base

>  <CAS> (1,015)
890190-22-4

>  <URL> (1,015)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/02252511162D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3996    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6119    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8245    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,016)
1084

>  <Formula> (1,016)
C18H37NO2

>  <MolWeight> (1,016)
299.49188

>  <Cat> (1,016)
S2210

>  <Name> (1,016)
Sphingosine

>  <Synonyms> (1,016)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,016)
Others

>  <Form> (1,016)
Free Base

>  <CAS> (1,016)
123-78-4

>  <URL> (1,016)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/02252511162D

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.9865    7.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993    7.2424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    5.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7752    5.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7752    7.2467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2328    4.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    3.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673    5.1385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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>  <Formula> (1,021)
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>  <MolWeight> (1,021)
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>  <Cat> (1,021)
S6660

>  <Name> (1,021)
B-Raf inhibitor 1 (Compound 13) dihydrochloride

>  <Synonyms> (1,021)
N/A

>  <Target> (1,021)
Raf

>  <Form> (1,021)
dihydrochloride

>  <CAS> (1,021)
1191385-19-9

>  <URL> (1,021)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

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>  <Formula> (1,022)
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>  <Cat> (1,022)
S6662

>  <Name> (1,022)
AST-487 (NVP-AST487)

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
Bcr-Abl,c-Kit,c-RET,FLT3

>  <Form> (1,022)
Free Base

>  <CAS> (1,022)
630124-46-8

>  <URL> (1,022)
http://www.selleck.cn/products/ast-487.html

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>  <Mol_ID> (1,023)
1092

>  <Formula> (1,023)
C23H19ClF2N2O3

>  <MolWeight> (1,023)
444.8583664

>  <Cat> (1,023)
S6673

>  <Name> (1,023)
CCG-222740

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
Actin,Rho

>  <Form> (1,023)
Free Base

>  <CAS> (1,023)
1922098-69-8

>  <URL> (1,023)
http://www.selleck.cn/products/ccg-222740.html

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csChFnd80/02252511162D

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C20H14ClN3O

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>  <Cat> (1,024)
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L-779,450

>  <Target> (1,024)
Raf

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>  <CAS> (1,024)
303727-31-3

>  <URL> (1,024)
http://www.selleck.cn/products/l-779450.html

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Akt

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Free Base

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1402608-02-9

>  <URL> (1,025)
http://www.selleck.cn/products/bay1125976.html

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FGFR,VEGFR

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>  <CAS> (1,026)
1430723-35-5

>  <URL> (1,026)
http://www.selleck.cn/products/odm-203.html

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260413-62-5

>  <URL> (1,027)
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M  END
>  <Mol_ID> (1,028)
1097

>  <Formula> (1,028)
C42H66O14

>  <MolWeight> (1,028)
794.96504

>  <Cat> (1,028)
S9116

>  <Name> (1,028)
Chikusetsusaponin IVa

>  <Synonyms> (1,028)
Calenduloside F

>  <Target> (1,028)
AMPK,Immunology & Inflammation related

>  <Form> (1,028)
Free Base

>  <CAS> (1,028)
51415-02-2

>  <URL> (1,028)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

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>  <Mol_ID> (1,029)
1098

>  <Formula> (1,029)
C42H72O13

>  <MolWeight> (1,029)
785.01328

>  <Cat> (1,029)
S9117

>  <Name> (1,029)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,029)
N/A

>  <Target> (1,029)
Others

>  <Form> (1,029)
Free Base

>  <CAS> (1,029)
52286-74-5

>  <URL> (1,029)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,030)
1099

>  <Formula> (1,030)
C45H73NO15

>  <MolWeight> (1,030)
868.05882

>  <Cat> (1,030)
S9145

>  <Name> (1,030)
Solamargine

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
P-gp

>  <Form> (1,030)
Free Base

>  <CAS> (1,030)
20311-51-7

>  <URL> (1,030)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,031)
1100

>  <Formula> (1,031)
C32H42O16

>  <MolWeight> (1,031)
682.66628

>  <Cat> (1,031)
S9215

>  <Name> (1,031)
Pinoresinol diglucoside

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
Others

>  <Form> (1,031)
Free Base

>  <CAS> (1,031)
63902-38-5

>  <URL> (1,031)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

$$$$

csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,032)
1101

>  <Formula> (1,032)
C17H15NO3

>  <MolWeight> (1,032)
281.3059

>  <Cat> (1,032)
S2272

>  <Name> (1,032)
Indoprofen

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
COX,Others,PDPK1

>  <Form> (1,032)
Free Base

>  <CAS> (1,032)
31842-01-0

>  <URL> (1,032)
http://www.selleck.cn/products/indoprofen.html

$$$$

csChFnd80/02252511162D

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CDK

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>  <CAS> (1,033)
2387704-62-1

>  <URL> (1,033)
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>  <Formula> (1,034)
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>  <Cat> (1,034)
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>  <Target> (1,034)
CDK

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>  <CAS> (1,034)
2241300-51-4

>  <URL> (1,034)
http://www.selleckchem.com/products/as2863619.html

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1105

>  <Formula> (1,035)
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>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
Axl,Mertk

>  <Form> (1,035)
Free Base

>  <CAS> (1,035)
1646839-59-9

>  <URL> (1,035)
http://www.selleckchem.com/products/ono-7475.html

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>  <Formula> (1,036)
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>  <Synonyms> (1,036)
N/A

>  <Target> (1,036)
Serine/threonin kinase

>  <Form> (1,036)
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>  <CAS> (1,036)
1891087-61-8

>  <URL> (1,036)
http://www.selleckchem.com/products/bay-1816032.html

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M  END
>  <Mol_ID> (1,037)
1107

>  <Formula> (1,037)
C46H51F3N6O8S2

>  <MolWeight> (1,037)
937.0577496

>  <Cat> (1,037)
S8953

>  <Name> (1,037)
ASP4132

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
AMPK

>  <Form> (1,037)
Free Base

>  <CAS> (1,037)
1640294-30-9

>  <URL> (1,037)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,038)
1108

>  <Formula> (1,038)
C26H23N5O2

>  <MolWeight> (1,038)
437.49312

>  <Cat> (1,038)
S8961

>  <Name> (1,038)
Alobresib (GS-5829)

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
Akt,Apoptosis related,Epigenetic Reader Domain,ERK,Myc,NF-¦ÊB

>  <Form> (1,038)
Free Base

>  <CAS> (1,038)
1637771-14-2

>  <URL> (1,038)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,039)
1109

>  <Formula> (1,039)
C19H19N5

>  <MolWeight> (1,039)
317.38766

>  <Cat> (1,039)
S2642

>  <Name> (1,039)
1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
Bcr-Abl,CaMK,CDK,PKD,Src

>  <Form> (1,039)
Free Base

>  <CAS> (1,039)
221243-82-9

>  <URL> (1,039)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,040)
1110

>  <Formula> (1,040)
C20H13FN4O2

>  <MolWeight> (1,040)
360.3412232

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S5183

>  <Name> (1,040)
PD 169316

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
Enterovirus,p38 MAPK,TGF-beta/Smad

>  <Form> (1,040)
Free Base

>  <CAS> (1,040)
152121-53-4

>  <URL> (1,040)
http://www.selleckchem.com/products/pd-169316.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,041)
1111

>  <Formula> (1,041)
C22H25F3N4O

>  <MolWeight> (1,041)
418.4553096

>  <Cat> (1,041)
S6774

>  <Name> (1,041)
TP-3654

>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
Pim

>  <Form> (1,041)
Free Base

>  <CAS> (1,041)
1361951-15-6

>  <URL> (1,041)
http://www.selleckchem.com/products/tp-3654.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,042)
1112

>  <Formula> (1,042)
C14H14O4S2

>  <MolWeight> (1,042)
310.38856

>  <Cat> (1,042)
S6777

>  <Name> (1,042)
NSC95397

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
CDK,phosphatase

>  <Form> (1,042)
Free Base

>  <CAS> (1,042)
93718-83-3

>  <URL> (1,042)
http://www.selleckchem.com/products/nsc95397.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,043)
1113

>  <Formula> (1,043)
C16H11N3O3

>  <MolWeight> (1,043)
293.27684

>  <Cat> (1,043)
S6784

>  <Name> (1,043)
STAT5-IN-1

>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
STAT

>  <Form> (1,043)
Free Base

>  <CAS> (1,043)
285986-31-4

>  <URL> (1,043)
http://www.selleckchem.com/products/stat-in-1.html

$$$$

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>  <Mol_ID> (1,044)
1114

>  <Formula> (1,044)
C17H11BrFN3O2

>  <MolWeight> (1,044)
388.1905432

>  <Cat> (1,044)
S6786

>  <Name> (1,044)
ERK5-IN-2

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
ERK

>  <Form> (1,044)
Free Base

>  <CAS> (1,044)
1888305-96-1

>  <URL> (1,044)
http://www.selleckchem.com/products/erk5-in-2.html

$$$$

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>  <Formula> (1,045)
C26H29ClN2O4S

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S6787

>  <Name> (1,045)
KN-93

>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
CaMK

>  <Form> (1,045)
Free Base

>  <CAS> (1,045)
139298-40-1

>  <URL> (1,045)
http://www.selleckchem.com/products/kn-93.html

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csChFnd80/02252511162D

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>  <Formula> (1,046)
C20H13F2N3

>  <MolWeight> (1,046)
333.3341264

>  <Cat> (1,046)
S6807

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TA-02

>  <Synonyms> (1,046)
N/A

>  <Target> (1,046)
p38 MAPK,TGF-beta/Smad

>  <Form> (1,046)
Free Base

>  <CAS> (1,046)
1784751-19-4

>  <URL> (1,046)
http://www.selleckchem.com/products/ta-02.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,047)
1117

>  <Formula> (1,047)
C15H10FNO

>  <MolWeight> (1,047)
239.2444032

>  <Cat> (1,047)
S6808

>  <Name> (1,047)
SU5205

>  <Synonyms> (1,047)
N/A

>  <Target> (1,047)
VEGFR

>  <Form> (1,047)
Free Base

>  <CAS> (1,047)
3476-86-6

>  <URL> (1,047)
http://www.selleckchem.com/products/su-5205.html

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csChFnd80/02252511162D

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>  <Formula> (1,048)
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>  <MolWeight> (1,048)
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>  <Cat> (1,048)
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>  <Synonyms> (1,048)
N/A

>  <Target> (1,048)
EGFR,VEGFR

>  <Form> (1,048)
Free Base

>  <CAS> (1,048)
186611-04-1

>  <URL> (1,048)
http://www.selleckchem.com/products/su-5214.html

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>  <Name> (1,049)
Mobocertinib (TAK788)

>  <Synonyms> (1,049)
AP32788

>  <Target> (1,049)
EGFR,HER2

>  <Form> (1,049)
Free Base

>  <CAS> (1,049)
1847461-43-1

>  <URL> (1,049)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/02252511162D

 61 66  0  0  0  0  0  0  0  0999 V2000
   22.2155    2.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0407    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5107   14.9466    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   12.5300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.6912   13.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3995    8.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5245    7.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7746   11.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3580   10.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7331    9.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166   14.4359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9414   10.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,050)
1120

>  <Formula> (1,050)
C43H46F3N7O7S

>  <MolWeight> (1,050)
861.9282496

>  <Cat> (1,050)
S8888

>  <Name> (1,050)
GMB-475

>  <Synonyms> (1,050)
N/A

>  <Target> (1,050)
Bcr-Abl,E3 Ligase ,PROTAC

>  <Form> (1,050)
Free Base

>  <CAS> (1,050)
2490599-18-1

>  <URL> (1,050)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,051)
1121

>  <Formula> (1,051)
C26H27N3O2

>  <MolWeight> (1,051)
413.51148

>  <Cat> (1,051)
S0118

>  <Name> (1,051)
SBC-110736

>  <Synonyms> (1,051)
N/A

>  <Target> (1,051)
PCSK9

>  <Form> (1,051)
Free Base

>  <CAS> (1,051)
1629166-02-4

>  <URL> (1,051)
http://www.selleckchem.com/products/sbc-1107326.html

$$$$

csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,052)
1122

>  <Formula> (1,052)
C21H18F3N5O

>  <MolWeight> (1,052)
413.3957296

>  <Cat> (1,052)
S0360

>  <Name> (1,052)
EGFR Inhibitor

>  <Synonyms> (1,052)
EGFR-IN-12

>  <Target> (1,052)
EGFR,Microtubule Associated

>  <Form> (1,052)
Free Base

>  <CAS> (1,052)
879127-07-8

>  <URL> (1,052)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/02252511162D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,053)
C26H34N6O3S

>  <MolWeight> (1,053)
510.65156

>  <Cat> (1,053)
S0391

>  <Name> (1,053)
TG-89

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
JAK

>  <Form> (1,053)
Free Base

>  <CAS> (1,053)
936091-56-4

>  <URL> (1,053)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,054)
1124

>  <Formula> (1,054)
C24H28N6O3S

>  <MolWeight> (1,054)
480.58252

>  <Cat> (1,054)
S0487

>  <Name> (1,054)
Sulfatinib

>  <Synonyms> (1,054)
HMPL-012, Sufatinib, Surfatinib, Surufatinib

>  <Target> (1,054)
CSF-1R,FGFR,VEGFR

>  <Form> (1,054)
Free Base

>  <CAS> (1,054)
1308672-74-3

>  <URL> (1,054)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,055)
1125

>  <Formula> (1,055)
C20H25ClN6O3

>  <MolWeight> (1,055)
432.9039

>  <Cat> (1,055)
S0500

>  <Name> (1,055)
Purvalanol B

>  <Synonyms> (1,055)
NG 95

>  <Target> (1,055)
CDK

>  <Form> (1,055)
Free Base

>  <CAS> (1,055)
212844-54-7

>  <URL> (1,055)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,056)
1126

>  <Formula> (1,056)
C14H10BrNOS

>  <MolWeight> (1,056)
320.2043

>  <Cat> (1,056)
S0523

>  <Name> (1,056)
SB 4

>  <Synonyms> (1,056)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,056)
TGF-beta/Smad

>  <Form> (1,056)
Free Base

>  <CAS> (1,056)
100874-08-6

>  <URL> (1,056)
http://www.selleckchem.com/products/sb-4.html

$$$$

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LIM kinase

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>  <CAS> (1,057)
2244678-29-1

>  <URL> (1,057)
http://www.selleckchem.com/products/th-257.html

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C20H19ClN6O2

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S6837

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R-10015

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
LIM kinase

>  <Form> (1,058)
Free Base

>  <CAS> (1,058)
2097938-51-5

>  <URL> (1,058)
http://www.selleckchem.com/products/r-10015.html

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csChFnd80/02252511162D

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C23H26FN5O3

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>  <Synonyms> (1,059)
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>  <Target> (1,059)
PDGFR,VEGFR

>  <Form> (1,059)
Free Base

>  <CAS> (1,059)
1013920-15-4

>  <URL> (1,059)
http://www.selleckchem.com/products/vorolanib.html

$$$$

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>  <Formula> (1,060)
C24H24N4O5S

>  <MolWeight> (1,060)
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>  <Synonyms> (1,060)
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>  <Target> (1,060)
c-Kit,CSF-1R,PDGFR,VEGFR

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>  <CAS> (1,060)
623142-96-1

>  <URL> (1,060)
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PKC

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Free Base

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82-08-6

>  <URL> (1,061)
http://www.selleckchem.com/products/rottlerin.html

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THZ2

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N/A

>  <Target> (1,062)
CDK

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Free Base

>  <CAS> (1,062)
1604810-84-5

>  <URL> (1,062)
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csChFnd80/02252511162D

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mTOR

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>  <CAS> (1,063)
1927857-56-4

>  <URL> (1,063)
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2361493-16-3

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free base

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213743-31-8

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1139

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C11H13NOS

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207.29202

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S0023

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Ras

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84783-01-7

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MS4078

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N/A

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ALK,PROTAC

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free base

>  <CAS> (1,068)
2229036-62-6

>  <URL> (1,068)
http://www.selleckchem.com/products/ms4078.html

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1142

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C24H27F2N5O4

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S0088

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Pemigatinib (INCB054828)

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Pemazyre

>  <Target> (1,069)
FGFR

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free base

>  <CAS> (1,069)
1513857-77-6

>  <URL> (1,069)
http://www.selleckchem.com/products/pemigatinib-incb054828.html

$$$$

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>  <Formula> (1,070)
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431.2870664

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S0185

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>  <Synonyms> (1,070)
LIMKi 3

>  <Target> (1,070)
LIM kinase

>  <Form> (1,070)
free base

>  <CAS> (1,070)
1338247-35-0

>  <URL> (1,070)
http://www.selleckchem.com/products/bms-5.html

$$$$

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C21H19N3O3

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N/A

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MAP4K

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free base

>  <CAS> (1,071)
2306178-56-1

>  <URL> (1,071)
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>  <Mol_ID> (1,072)
1145

>  <Formula> (1,072)
C15H13ClN2O

>  <MolWeight> (1,072)
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>  <Cat> (1,072)
S0278

>  <Name> (1,072)
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>  <Synonyms> (1,072)
Chloro-SU5416, Chloro-Semaxanib

>  <Target> (1,072)
Apoptosis related,c-Kit,FLT3,VEGFR

>  <Form> (1,072)
free base

>  <CAS> (1,072)
1055412-47-9

>  <URL> (1,072)
http://www.selleckchem.com/products/su5614.html

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csChFnd80/02252511162D

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1146

>  <Formula> (1,073)
C15H17ClN6O3

>  <MolWeight> (1,073)
364.78688

>  <Cat> (1,073)
S0377

>  <Name> (1,073)
CS-2660 (JNJ-38158471)

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
c-Kit,c-RET,VEGFR

>  <Form> (1,073)
free base

>  <CAS> (1,073)
951151-97-6

>  <URL> (1,073)
http://www.selleckchem.com/products/jnj-38158471.html

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csChFnd80/02252511162D

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>  <Formula> (1,074)
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>  <MolWeight> (1,074)
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>  <Cat> (1,074)
S0378

>  <Name> (1,074)
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>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
PKG

>  <Form> (1,074)
free base

>  <CAS> (1,074)
188343-77-3

>  <URL> (1,074)
http://www.selleckchem.com/products/mbp146-78.html

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>  <Formula> (1,075)
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>  <MolWeight> (1,075)
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>  <CAS> (1,075)
292168-79-7

>  <URL> (1,075)
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    7.3697    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  2  0  0  0  0
 15 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,076)
1151

>  <Formula> (1,076)
C19H11ClN3NaO2

>  <MolWeight> (1,076)
371.75231

>  <Cat> (1,076)
S0707

>  <Name> (1,076)
Silmitasertib (CX-4945)?sodium salt

>  <Synonyms> (1,076)
CX-4945 sodium salt

>  <Target> (1,076)
Casein Kinase

>  <Form> (1,076)
sodium

>  <CAS> (1,076)
1309357-15-0

>  <URL> (1,076)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7024    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5122    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    3.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4471    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6595    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8719    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2968    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5092    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9341    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1465    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5714    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7838    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2087    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10  1  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,077)
1152

>  <Formula> (1,077)
C23H40N2O3

>  <MolWeight> (1,077)
392.5753

>  <Cat> (1,077)
S0752

>  <Name> (1,077)
AUDA

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
Epoxide Hydrolase,Interleukins,MMP,p38 MAPK,TGF-beta/Smad,TNF-alpha

>  <Form> (1,077)
free base

>  <CAS> (1,077)
479413-70-2

>  <URL> (1,077)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/02252511162D

 41 42  0  0  0  0  0  0  0  0999 V2000
    5.3638    1.4732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    2.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.3089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.7089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4516    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 36  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 17  2  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 25  2  0  0  0  0
 12 23  1  0  0  0  0
 12 31  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  2  0  0  0  0
 28 33  1  0  0  0  0
 28 35  1  0  0  0  0
 29 32  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (1,078)
1153

>  <Formula> (1,078)
C25H34N6O8S2

>  <MolWeight> (1,078)
610.70286

>  <Cat> (1,078)
S0785

>  <Name> (1,078)
Apilimod (STA-5326) mesylate

>  <Synonyms> (1,078)
STA-5326 mesylate

>  <Target> (1,078)
Interleukins,PIKfyve

>  <Form> (1,078)
mesylate

>  <CAS> (1,078)
870087-36-8

>  <URL> (1,078)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/02252511162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.5168    3.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636    2.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    1.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    4.9283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    7.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.8549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636    2.4634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1846    3.5976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1885    1.3322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5192    1.7672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6532    0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    6.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3300    4.9788    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  1  0  0  0
 11  3  1  1  0  0  0
  4 13  1  0  0  0  0
 10  5  1  6  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,079)
1154

>  <Formula> (1,079)
C11H15ClN4O4

>  <MolWeight> (1,079)
302.7142

>  <Cat> (1,079)
S0787

>  <Name> (1,079)
3-Deazaadenosine hydrochloride

>  <Synonyms> (1,079)
3-DZA HCl, c3Ado HCl

>  <Target> (1,079)
Interleukins,TNF-alpha

>  <Form> (1,079)
hydrochloride

>  <CAS> (1,079)
86583-19-9

>  <URL> (1,079)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/02252511162D

 35 37  0  0  0  0  0  0  0  0999 V2000
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
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>  <Formula> (1,080)
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>  <MolWeight> (1,080)
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>  <Cat> (1,080)
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>  <Name> (1,080)
STAT3-IN-1

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
STAT

>  <Form> (1,080)
free base

>  <CAS> (1,080)
2059952-75-7

>  <URL> (1,080)
http://www.selleckchem.com/products/stat3-in-1.html

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>  <Mol_ID> (1,081)
1156

>  <Formula> (1,081)
C23H15F8N3OS

>  <MolWeight> (1,081)
533.4369256

>  <Cat> (1,081)
S0819

>  <Name> (1,081)
BL-918

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
ULK

>  <Form> (1,081)
free base

>  <CAS> (1,081)
2101517-69-3

>  <URL> (1,081)
http://www.selleckchem.com/products/bl-918.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,082)
1157

>  <Formula> (1,082)
C30H48O7

>  <MolWeight> (1,082)
520.69792

>  <Cat> (1,082)
S0949

>  <Name> (1,082)
Cucurbitacin IIb

>  <Synonyms> (1,082)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (1,082)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (1,082)
free base

>  <CAS> (1,082)
50298-90-3

>  <URL> (1,082)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,083)
1158

>  <Formula> (1,083)
C7H7NO2

>  <MolWeight> (1,083)
137.13598

>  <Cat> (1,083)
S3220

>  <Name> (1,083)
Trigonelline

>  <Synonyms> (1,083)
Trigenolline

>  <Target> (1,083)
Akt,Anti-infection,Microtubule Associated,Phospholipase (e.g. PLA),PI3K

>  <Form> (1,083)
free base

>  <CAS> (1,083)
535-83-1

>  <URL> (1,083)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/02252511162D

 13 13  0  0  0  0  0  0  0  0999 V2000
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1159

>  <Formula> (1,084)
C7H14O6

>  <MolWeight> (1,084)
194.18246

>  <Cat> (1,084)
S3223

>  <Name> (1,084)
L-Quebrachitol

>  <Synonyms> (1,084)
L-QCT

>  <Target> (1,084)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (1,084)
free base

>  <CAS> (1,084)
642-38-6

>  <URL> (1,084)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/02252511162D

 32 37  0  0  0  0  0  0  0  0999 V2000
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    8.6884    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    5.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    9.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    5.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    8.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   10.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    9.5396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3125    6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9405    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6175    5.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  9  1  1  1  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
 26  3  1  1  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,085)
1160

>  <Formula> (1,085)
C26H34O6

>  <MolWeight> (1,085)
442.54456

>  <Cat> (1,085)
S3224

>  <Name> (1,085)
Cinobufagin

>  <Synonyms> (1,085)
Cinobufagine

>  <Target> (1,085)
Akt,Apoptosis related,ATM/ATR,Bcl-2,Caspase,CDK,Chk,PI3K

>  <Form> (1,085)
free base

>  <CAS> (1,085)
470-37-1

>  <URL> (1,085)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    3.1732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3372    4.5731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0858    2.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0858    5.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    2.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173    3.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173    4.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    5.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620    3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620    4.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7996    1.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272    6.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359    5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0473    6.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7844    7.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2623    7.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2677    8.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720    6.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  1  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  1  0  0  0
  5  8  1  0  0  0  0
  5 14  1  1  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,086)
1161

>  <Formula> (1,086)
C20H28O2

>  <MolWeight> (1,086)
300.43512

>  <Cat> (1,086)
S3226

>  <Name> (1,086)
Dehydroabietic acid

>  <Synonyms> (1,086)
DAA, DHAA

>  <Target> (1,086)
Anti-infection,Src,Syk,TAK1

>  <Form> (1,086)
free base

>  <CAS> (1,086)
1740-19-8

>  <URL> (1,086)
http://www.selleckchem.com/products/dehydroabietic-acid.html

$$$$

csChFnd80/02252511162D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,087)
1162

>  <Formula> (1,087)
C24H32O4

>  <MolWeight> (1,087)
384.50848

>  <Cat> (1,087)
S3238

>  <Name> (1,087)
Resibufogenin

>  <Synonyms> (1,087)
Bufogenin, Recibufogenin

>  <Target> (1,087)
Akt,Apoptosis related,Bcl-2,Caspase,CDK,GSK-3,Mixed Lineage Kinase,PI3K,RIP kinase,ROS,Wnt/beta-catenin

>  <Form> (1,087)
free base

>  <CAS> (1,087)
465-39-4

>  <URL> (1,087)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/02252511162D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,088)
1163

>  <Formula> (1,088)
C17H18O4

>  <MolWeight> (1,088)
286.32242

>  <Cat> (1,088)
S3241

>  <Name> (1,088)
Loureirin A

>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
Akt,PI3K

>  <Form> (1,088)
free base

>  <CAS> (1,088)
119425-89-7

>  <URL> (1,088)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/02252511162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,089)
1164

>  <Formula> (1,089)
C18H20O5

>  <MolWeight> (1,089)
316.3484

>  <Cat> (1,089)
S3242

>  <Name> (1,089)
Loureirin B

>  <Synonyms> (1,089)
LB, LrB

>  <Target> (1,089)
Calcium Channel,ERK,JNK,PAI-1,Potassium Channel

>  <Form> (1,089)
free base

>  <CAS> (1,089)
119425-90-0

>  <URL> (1,089)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/02252511162D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 O   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
    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
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    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
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 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 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (1,090)
1165

>  <Formula> (1,090)
C27H30O15

>  <MolWeight> (1,090)
594.5181

>  <Cat> (1,090)
S3267

>  <Name> (1,090)
Kaempferol-3-O-rutinoside

>  <Synonyms> (1,090)
Nicotiflorin, Nikotoflorin, Kaempferol 3-O-¦Â-rutinoside

>  <Target> (1,090)
Apoptosis related,Bcl-2,Caspase,JAK,STAT

>  <Form> (1,090)
free base

>  <CAS> (1,090)
17650-84-9

>  <URL> (1,090)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/02252511162D

 38 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,091)
1166

>  <Formula> (1,091)
C30H16O8

>  <MolWeight> (1,091)
504.44324

>  <Cat> (1,091)
S3273

>  <Name> (1,091)
Hypericin

>  <Synonyms> (1,091)
Hyp, HY

>  <Target> (1,091)
Hydroxylase,MAO,P450 (e.g. CYP17),PKC,Reverse Transcriptase,Telomerase

>  <Form> (1,091)
free base

>  <CAS> (1,091)
548-04-9

>  <URL> (1,091)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.7791    4.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    6.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    5.0655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    5.7655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    3.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    5.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2019    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5  2  1  6  0  0  0
  6  3  1  1  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,092)
1167

>  <Formula> (1,092)
C12H16O4

>  <MolWeight> (1,092)
224.25304

>  <Cat> (1,092)
S3275

>  <Name> (1,092)
Senkyunolide I

>  <Synonyms> (1,092)
SEI, SENI

>  <Target> (1,092)
Apoptosis related,Bcl-2,Caspase,ERK,Nrf2

>  <Form> (1,092)
free base

>  <CAS> (1,092)
94596-28-8

>  <URL> (1,092)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/02252511162D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  1  1  6  0  0  0
 19  1  1  1  0  0  0
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 20  4  1  1  0  0  0
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 17  5  1  1  0  0  0
 18  6  1  6  0  0  0
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 24  9  1  1  0  0  0
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 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 36  2  0  0  0  0
 32 37  1  0  0  0  0
 33 35  2  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 39  2  0  0  0  0
 40 42  2  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (1,093)
1168

>  <Formula> (1,093)
C27H30O15

>  <MolWeight> (1,093)
594.5181

>  <Cat> (1,093)
S3278

>  <Name> (1,093)
Kaempferol-3-O-neohesperidoside

>  <Synonyms> (1,093)
Kaempferol 3-neohesperidoside

>  <Target> (1,093)
Carbohydrate Metabolism

>  <Form> (1,093)
free base

>  <CAS> (1,093)
32602-81-6

>  <URL> (1,093)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/02252511162D

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   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
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1537    8.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4447    6.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7762    6.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8166    7.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    8.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1941    9.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3673   12.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5623    9.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8892    9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1435    6.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1803    7.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877   11.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  6  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 25  1  0  0  0  0
 23 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
  3 36  1  1  0  0  0
  2 37  1  6  0  0  0
  4 38  1  6  0  0  0
 19 39  1  6  0  0  0
M  END
>  <Mol_ID> (1,094)
1169

>  <Formula> (1,094)
C27H34O12

>  <MolWeight> (1,094)
550.55166

>  <Cat> (1,094)
S3284

>  <Name> (1,094)
Tracheloside

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
ERK,phosphatase

>  <Form> (1,094)
free base

>  <CAS> (1,094)
33464-71-0

>  <URL> (1,094)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8528    7.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    7.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,095)
1170

>  <Formula> (1,095)
C19H12O7

>  <MolWeight> (1,095)
352.29438

>  <Cat> (1,095)
S3289

>  <Name> (1,095)
Daphnoretin

>  <Synonyms> (1,095)
Dephnoretin, Thymelol

>  <Target> (1,095)
Akt,Apoptosis related,PKC

>  <Form> (1,095)
free base

>  <CAS> (1,095)
2034-69-7

>  <URL> (1,095)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/02252511162D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (1,096)
1171

>  <Formula> (1,096)
C17H24O2

>  <MolWeight> (1,096)
260.37126

>  <Cat> (1,096)
S3292

>  <Name> (1,096)
Falcarindiol

>  <Synonyms> (1,096)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (1,096)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (1,096)
free base

>  <CAS> (1,096)
225110-25-8

>  <URL> (1,096)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,097)
1172

>  <Formula> (1,097)
C16H17NO3

>  <MolWeight> (1,097)
271.31108

>  <Cat> (1,097)
S3294

>  <Name> (1,097)
Demethyl-Coclaurine

>  <Synonyms> (1,097)
Higenamine, Norcoclaurine

>  <Target> (1,097)
Adrenergic Receptor,Akt,Apoptosis related,PI3K

>  <Form> (1,097)
free base

>  <CAS> (1,097)
5843-65-2

>  <URL> (1,097)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,098)
1173

>  <Formula> (1,098)
C16H12O6

>  <MolWeight> (1,098)
300.26288

>  <Cat> (1,098)
S3296

>  <Name> (1,098)
Hispidulin

>  <Synonyms> (1,098)
Dinatin

>  <Target> (1,098)
Akt,AMPK,Apoptosis related,Mitochondrial Metabolism,PI3K,Pim

>  <Form> (1,098)
free base

>  <CAS> (1,098)
1447-88-7

>  <URL> (1,098)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/02252511162D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4323    3.2930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    1.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453    1.1969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8242    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    1.2186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    3.3101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6343    4.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    3.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    1.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    5.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2155    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5422    4.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3 13  1  1  0  0  0
  7 13  1  1  0  0  0
 12 14  2  0  0  0  0
  5 15  1  0  0  0  0
  3 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,099)
1174

>  <Formula> (1,099)
C12H16N2O

>  <MolWeight> (1,099)
204.26824

>  <Cat> (1,099)
S3298

>  <Name> (1,099)
Caulophylline (N-Methylcytisine)

>  <Synonyms> (1,099)
Caulophyllin, NMC

>  <Target> (1,099)
AChR,I¦ÊB/IKK,NF-¦ÊB,Peroxidases

>  <Form> (1,099)
free base

>  <CAS> (1,099)
486-86-2 (63699-79-6, 207-643-8)

>  <URL> (1,099)
http://www.selleckchem.com/products/caulophylline-n-methylcytisine-.html

$$$$

csChFnd80/02252511162D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
  7 13  1  0  0  0  0
  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,100)
1175

>  <Formula> (1,100)
C27H33ClN2O4

>  <MolWeight> (1,100)
485.01492

>  <Cat> (1,100)
S6760

>  <Name> (1,100)
LM22B-10

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
Akt,ERK,Trk receptor

>  <Form> (1,100)
free base

>  <CAS> (1,100)
342777-54-2

>  <URL> (1,100)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/02252511162D

 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
    2.6714    6.4231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.3121    6.8940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6663    8.2941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6507    0.9351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8492    9.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2900    0.6421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791    6.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    7.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    7.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8871    6.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7408    5.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0997    7.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2842    5.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0997    8.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8492    7.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    8.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3121    9.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5240    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0891    4.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5890    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7841    3.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2191    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7949    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6928    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 23  1  0  0  0  0
  7 18  2  0  0  0  0
  8 10  1  0  0  0  0
  8 21  2  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 23  2  0  0  0  0
 11 27  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 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> (1,101)
1176

>  <Formula> (1,101)
C20H15F3N8

>  <MolWeight> (1,101)
424.3819096

>  <Cat> (1,101)
S6762

>  <Name> (1,101)
Bozitinib (PLB-1001)

>  <Synonyms> (1,101)
CBT-101, APL-101, CBI-3103

>  <Target> (1,101)
c-Met

>  <Form> (1,101)
free base

>  <CAS> (1,101)
1440964-89-5

>  <URL> (1,101)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/02252511162D

 33 38  0  0  0  0  0  0  0  0999 V2000
    7.7960    0.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    6.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    8.9070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7041    8.9928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6041   10.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4574    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8924    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3218    2.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6268    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8869    4.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1918    5.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8219    5.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (1,102)
1177

>  <Formula> (1,102)
C27H24N6

>  <MolWeight> (1,102)
432.51966

>  <Cat> (1,102)
S6811

>  <Name> (1,102)
Miransertib (ARQ-092)

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
Akt

>  <Form> (1,102)
free base

>  <CAS> (1,102)
1313881-70-7

>  <URL> (1,102)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,103)
1179

>  <Formula> (1,103)
C15H18Cl2N2O2S

>  <MolWeight> (1,103)
361.28662

>  <Cat> (1,103)
S6847

>  <Name> (1,103)
ML-9 HCl

>  <Synonyms> (1,103)
ML-9 hydrochloride

>  <Target> (1,103)
Akt,Autophagy,Calcium Channel,MLCK

>  <Form> (1,103)
hydrochloride

>  <CAS> (1,103)
105637-50-1

>  <URL> (1,103)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/02252511162D

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  6  1  1  0  0  0  0
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 22 28  2  0  0  0  0
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 29 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,104)
1180

>  <Formula> (1,104)
C28H23Cl5N2O2

>  <MolWeight> (1,104)
596.75942

>  <Cat> (1,104)
S6851

>  <Name> (1,104)
RA-190

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
Autophagy,p53,Proteasome

>  <Form> (1,104)
free base

>  <CAS> (1,104)
1617495-03-0

>  <URL> (1,104)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,105)
1181

>  <Formula> (1,105)
C29H35F3N8O5S

>  <MolWeight> (1,105)
664.6990096

>  <Cat> (1,105)
S6868

>  <Name> (1,105)
Alflutinib (AST2818) mesylate

>  <Synonyms> (1,105)
Furmonertinib mesylate

>  <Target> (1,105)
EGFR,P450 (e.g. CYP17)

>  <Form> (1,105)
mesylate

>  <CAS> (1,105)
2130958-55-1

>  <URL> (1,105)
https://www.selleckchem.com/products/alflutinib-ast2818-mesylate.html

$$$$

csChFnd80/02252511162D

 41 45  0  0  0  0  0  0  0  0999 V2000
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free base

>  <CAS> (1,106)
1394820-69-9

>  <URL> (1,106)
http://www.selleckchem.com/products/ningetinib.html

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csChFnd80/02252511162D

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1184

>  <Formula> (1,107)
C19H15ClN4O

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S6888

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MNK

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free base

>  <CAS> (1,107)
2095704-43-9

>  <URL> (1,107)
http://www.selleckchem.com/products/sel201.html

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csChFnd80/02252511162D

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1185

>  <Formula> (1,108)
C33H36N2O3

>  <MolWeight> (1,108)
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>  <Cat> (1,108)
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MCP110

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
Raf,Ras

>  <Form> (1,108)
free base

>  <CAS> (1,108)
521310-51-0

>  <URL> (1,108)
http://www.selleckchem.com/products/mcp110.html

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>  <Formula> (1,109)
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>  <MolWeight> (1,109)
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>  <Form> (1,109)
free base

>  <CAS> (1,109)
1421693-22-2

>  <URL> (1,109)
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C19H16N2O2S

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ARN-3236

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
Apoptosis related,SIK

>  <Form> (1,110)
free base

>  <CAS> (1,110)
1613710-01-2

>  <URL> (1,110)
http://www.selleckchem.com/products/arn-3236.html

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Rotation(+)
M  END
>  <Mol_ID> (1,111)
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>  <Formula> (1,111)
C19H18F2N4O2RS

>  <MolWeight> (1,111)
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>  <Cat> (1,111)
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BAY 1251152

>  <Synonyms> (1,111)
(+)-BAY-1251152

>  <Target> (1,111)
CDK

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free base

>  <CAS> (1,111)
1610358-56-9

>  <URL> (1,111)
http://www.selleckchem.com/products/bay1251152.html

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1190

>  <Formula> (1,112)
C18H18F2N2O4

>  <MolWeight> (1,112)
364.3433264

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S8824

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EMD638683

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
SGK

>  <Form> (1,112)
free base

>  <CAS> (1,112)
1181770-72-8

>  <URL> (1,112)
http://www.selleckchem.com/products/emd638683.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,113)
1191

>  <Formula> (1,113)
C20H17F2N5O2

>  <MolWeight> (1,113)
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>  <Cat> (1,113)
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>  <Name> (1,113)
GSK3145095

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
RIP kinase

>  <Form> (1,113)
free base

>  <CAS> (1,113)
1622849-43-7

>  <URL> (1,113)
http://www.selleckchem.com/products/gsk3145095.html

$$$$

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M  END
>  <Mol_ID> (1,114)
1192

>  <Formula> (1,114)
C23H25F3N4O3

>  <MolWeight> (1,114)
462.4648096

>  <Cat> (1,114)
S8916

>  <Name> (1,114)
BI-3406

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
Ras

>  <Form> (1,114)
free base

>  <CAS> (1,114)
2230836-55-0

>  <URL> (1,114)
http://www.selleckchem.com/products/bi-3406.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,115)
1193

>  <Formula> (1,115)
C18H12ClF2N5O3S

>  <MolWeight> (1,115)
451.8343864

>  <Cat> (1,115)
S8929

>  <Name> (1,115)
GCN2iB

>  <Synonyms> (1,115)
N/A

>  <Target> (1,115)
Serine/threonin kinase

>  <Form> (1,115)
free base

>  <CAS> (1,115)
2183470-12-2

>  <URL> (1,115)
http://www.selleckchem.com/products/gcn2ib.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,116)
1194

>  <Formula> (1,116)
C18H19N5O3

>  <MolWeight> (1,116)
353.37516

>  <Cat> (1,116)
S8965

>  <Name> (1,116)
BO-264

>  <Synonyms> (1,116)
N/A

>  <Target> (1,116)
Apoptosis related,FGFR,TACC3

>  <Form> (1,116)
free base

>  <CAS> (1,116)
2408648-20-2

>  <URL> (1,116)
http://www.selleckchem.com/products/bo-264.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,117)
1195

>  <Formula> (1,117)
C26H28F3N7O2

>  <MolWeight> (1,117)
527.5414296

>  <Cat> (1,117)
S8976

>  <Name> (1,117)
DCLK1-IN-1

>  <Synonyms> (1,117)
N/A

>  <Target> (1,117)
Serine/threonin kinase

>  <Form> (1,117)
free base

>  <CAS> (1,117)
2222635-15-4

>  <URL> (1,117)
http://www.selleckchem.com/products/dclk1-in-1.html

$$$$

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 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,118)
1197

>  <Formula> (1,118)
C26H25N3O3

>  <MolWeight> (1,118)
427.495

>  <Cat> (1,118)
S9600

>  <Name> (1,118)
Orelabrutinib (ICP-022)

>  <Synonyms> (1,118)
ICP-022

>  <Target> (1,118)
BTK

>  <Form> (1,118)
free base

>  <CAS> (1,118)
1655504-04-3

>  <URL> (1,118)
http://www.selleckchem.com/products/orelabrutinib.html

$$$$

csChFnd80/02252511162D

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    0.8171    1.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1080    2.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1054    6.0513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7951    7.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3303    7.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5667    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3264    4.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6587    5.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 20  2  0  0  0  0
  6 21  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
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 18 19  2  0  0  0  0
 22 24  2  0  0  0  0
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 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,119)
1198

>  <Formula> (1,119)
C22H13FN2O5

>  <MolWeight> (1,119)
404.3474232

>  <Cat> (1,119)
S9602

>  <Name> (1,119)
Elraglusib

>  <Synonyms> (1,119)
9-ing-41

>  <Target> (1,119)
Apoptosis related,GSK-3

>  <Form> (1,119)
free base

>  <CAS> (1,119)
1034895-42-5

>  <URL> (1,119)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/02252511162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6333    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0581    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2104    3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4830    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    2.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,120)
1199

>  <Formula> (1,120)
C13H16F3N5O

>  <MolWeight> (1,120)
315.2942496

>  <Cat> (1,120)
S9604

>  <Name> (1,120)
IM156

>  <Synonyms> (1,120)
HL156A

>  <Target> (1,120)
AMPK,Apoptosis related,OXPHOS

>  <Form> (1,120)
free base

>  <CAS> (1,120)
1422365-93-2

>  <URL> (1,120)
http://www.selleckchem.com/products/im156.html

$$$$

csChFnd80/02252511162D

 27 28  0  0  0  0  0  0  0  0999 V2000
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    7.2746    3.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0302    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    3.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    1.3367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0075    3.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    4.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  2  5  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
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  4 14  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,121)
1200

>  <Formula> (1,121)
C13H14Cl3N7O4

>  <MolWeight> (1,121)
438.65376

>  <Cat> (1,121)
S9605

>  <Name> (1,121)
Apcin

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
APC,CDK,E3 Ligase

>  <Form> (1,121)
free base

>  <CAS> (1,121)
300815-04-7

>  <URL> (1,121)
http://www.selleckchem.com/products/apcin.html

$$$$

csChFnd80/02252511162D

 21 20  0  0  0  0  0  0  0  0999 V2000
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   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,122)
1201

>  <Formula> (1,122)
C18H32O3

>  <MolWeight> (1,122)
296.44488

>  <Cat> (1,122)
S9611

>  <Name> (1,122)
ABTL-0812

>  <Synonyms> (1,122)
¦Á-Hydroxylinoleic acid

>  <Target> (1,122)
Akt,Autophagy,mTOR,ROS

>  <Form> (1,122)
free base

>  <CAS> (1,122)
57818-44-7

>  <URL> (1,122)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

csChFnd80/02252511162D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    3.6273    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.1884    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.2065    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4729    1.3930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6855    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8980    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1105    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1105    3.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8980    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3228    4.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8059    4.8907    0.0000 H   1  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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 29 32  1  0  0  0  0
  9 33  1  0  0  0  0
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  9 35  1  0  0  0  0
M  ISO  1  30   2
M  ISO  1  31   2
M  ISO  1  32   2
M  END
>  <Mol_ID> (1,123)
1202

>  <Formula> (1,123)
C21H13ClD3F3N4O3

>  <MolWeight> (1,123)
467.843434934

>  <Cat> (1,123)
S9621

>  <Name> (1,123)
Donafenib (Sorafenib D3)

>  <Synonyms> (1,123)
Bay 43-9006 D3, CM-4307

>  <Target> (1,123)
Raf,VEGFR

>  <Form> (1,123)
free base

>  <CAS> (1,123)
1130115-44-4

>  <URL> (1,123)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/02252511162D

 39 44  0  0  0  0  0  0  0  0999 V2000
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    0.9368    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2430    1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430    1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  1  0  0  0  0
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 30 35  1  0  0  0  0
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 16 37  1  0  0  0  0
 12 14  1  0  0  0  0
  4 38  1  0  0  0  0
  8 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,124)
1203

>  <Formula> (1,124)
C25H29F2N9O3

>  <MolWeight> (1,124)
541.5530664

>  <Cat> (1,124)
S9639

>  <Name> (1,124)
VX-803 (M4344)

>  <Synonyms> (1,124)
ATR inhibitor 2

>  <Target> (1,124)
ATM/ATR,Chk

>  <Form> (1,124)
free base

>  <CAS> (1,124)
1613191-99-3

>  <URL> (1,124)
http://www.selleckchem.com/products/vx803-m4344.html

$$$$

csChFnd80/02252511162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   12.3119    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9492    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 20  2  0  0  0  0
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M  END
>  <Mol_ID> (1,125)
1205

>  <Formula> (1,125)
C27H27F2N5O3

>  <MolWeight> (1,125)
507.5317864

>  <Cat> (1,125)
S9660

>  <Name> (1,125)
Remibrutinib (LOU064)

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
BTK,Interleukins

>  <Form> (1,125)
free base

>  <CAS> (1,125)
1787294-07-8

>  <URL> (1,125)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/02252511162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 32 35  1  6  0  0  0
M  END
>  <Mol_ID> (1,126)
1206

>  <Formula> (1,126)
C28H40N6O

>  <MolWeight> (1,126)
476.6568

>  <Cat> (1,126)
S9662

>  <Name> (1,126)
UNC2025

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
Axl,c-Kit,c-Met,FLT3,Mertk,Trk receptor,Tyro3

>  <Form> (1,126)
free base

>  <CAS> (1,126)
1429881-91-3

>  <URL> (1,126)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,127)
1207

>  <Formula> (1,127)
C21H25N5O2

>  <MolWeight> (1,127)
379.4555

>  <Cat> (1,127)
S9694

>  <Name> (1,127)
MLi-2

>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
LRRK2

>  <Form> (1,127)
free base

>  <CAS> (1,127)
1627091-47-7

>  <URL> (1,127)
http://www.selleckchem.com/products/mli-2.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,128)
1208

>  <Formula> (1,128)
C28H26N4O3

>  <MolWeight> (1,128)
466.53104

>  <Cat> (1,128)
S1421

>  <Name> (1,128)
Staurosporine (AM-2282)

>  <Synonyms> (1,128)
Antibiotic AM-2282, STS

>  <Target> (1,128)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,CaMK,PKA,PKC,PKG,S6 Kinase

>  <Form> (1,128)
Free Base

>  <CAS> (1,128)
62996-74-1

>  <URL> (1,128)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,129)
1209

>  <Formula> (1,129)
C45H74O

>  <MolWeight> (1,129)
631.06846

>  <Cat> (1,129)
S2360

>  <Name> (1,129)
Solanesol (Nonaisoprenol)

>  <Synonyms> (1,129)
Nonaisoprenol, Betulanonaprenol

>  <Target> (1,129)
FAK

>  <Form> (1,129)
Free Base

>  <CAS> (1,129)
13190-97-1

>  <URL> (1,129)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,130)
1211

>  <Formula> (1,130)
C21H18N2O

>  <MolWeight> (1,130)
314.38042

>  <Cat> (1,130)
S0765

>  <Name> (1,130)
MAZ51

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (1,130)
Free Base

>  <CAS> (1,130)
163655-37-6

>  <URL> (1,130)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,131)
1212

>  <Formula> (1,131)
C42H70O12

>  <MolWeight> (1,131)
766.998

>  <Cat> (1,131)
S9210

>  <Name> (1,131)
Ginsenoside Rk1

>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
Others

>  <Form> (1,131)
Free Base

>  <CAS> (1,131)
494753-69-4

>  <URL> (1,131)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/02252511162D

 61 67  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,132)
1213

>  <Formula> (1,132)
C42H66O16

>  <MolWeight> (1,132)
826.96384

>  <Cat> (1,132)
S9216

>  <Name> (1,132)
Esculentoside A

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
Immunology & Inflammation related

>  <Form> (1,132)
Free Base

>  <CAS> (1,132)
65497-07-6

>  <URL> (1,132)
https://www.selleckchem.com/products/esculentoside-a.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,133)
1214

>  <Formula> (1,133)
C19H20O5

>  <MolWeight> (1,133)
328.3591

>  <Cat> (1,133)
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>  <Name> (1,133)
Decursin

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
Immunology & Inflammation related

>  <Form> (1,133)
Free Base

>  <CAS> (1,133)
5928-25-6

>  <URL> (1,133)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,134)
1215

>  <Formula> (1,134)
C57H92O28

>  <MolWeight> (1,134)
1225.32358

>  <Cat> (1,134)
S9304

>  <Name> (1,134)
Platycodin D

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
Immunology & Inflammation related

>  <Form> (1,134)
Free Base

>  <CAS> (1,134)
58479-68-8

>  <URL> (1,134)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,135)
1216

>  <Formula> (1,135)
C22H26N2O4

>  <MolWeight> (1,135)
382.45284

>  <Cat> (1,135)
S9306

>  <Name> (1,135)
Corynoxeine

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
ERK

>  <Form> (1,135)
Free Base

>  <CAS> (1,135)
630-94-4

>  <URL> (1,135)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,136)
1217

>  <Formula> (1,136)
C50H83NO21

>  <MolWeight> (1,136)
1034.18812

>  <Cat> (1,136)
S9444

>  <Name> (1,136)
Tomatine

>  <Synonyms> (1,136)
Lycopersicin

>  <Target> (1,136)
Fungal

>  <Form> (1,136)
Free Base

>  <CAS> (1,136)
17406-45-0

>  <URL> (1,136)
https://www.selleckchem.com/products/tomatine.html

$$$$

csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,137)
1218

>  <Formula> (1,137)
C21H21Cl2N5OS

>  <MolWeight> (1,137)
462.39534

>  <Cat> (1,137)
S0015

>  <Name> (1,137)
WNK-IN-11

>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
Serine/threonin kinase

>  <Form> (1,137)
Free Base

>  <CAS> (1,137)
2123489-30-3

>  <URL> (1,137)
https://www.selleckchem.com/products/wnk-in-11.html

$$$$

csChFnd80/02252511162D

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2172617-15-9

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ASK1-IN-1

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ASK

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Free Base

>  <CAS> (1,139)
1262041-49-5

>  <URL> (1,139)
https://www.selleckchem.com/products/gs-444217.html

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>  <MolWeight> (1,140)
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138736-73-9

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csChFnd80/02252511162D

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189290-58-2

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374703-78-3

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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    3.2196    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,143)
1224

>  <Formula> (1,143)
C16H15FN2O4

>  <MolWeight> (1,143)
318.2997032

>  <Cat> (1,143)
S0153

>  <Name> (1,143)
SJ000291942

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
TGF-beta/Smad

>  <Form> (1,143)
Free Base

>  <CAS> (1,143)
425613-09-8

>  <URL> (1,143)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.0496    5.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    5.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    6.2551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    7.9176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2370    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3002    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7329    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0391    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6064    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,144)
1225

>  <Formula> (1,144)
C18H15N5O

>  <MolWeight> (1,144)
317.3446

>  <Cat> (1,144)
S0256

>  <Name> (1,144)
Ehp-inhibitor-1

>  <Synonyms> (1,144)
Ehp inhibitor 2

>  <Target> (1,144)
Ephrin receptor

>  <Form> (1,144)
Free Base

>  <CAS> (1,144)
861249-59-4

>  <URL> (1,144)
https://www.selleckchem.com/products/ehp-inhibitor.html

$$$$

csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0545    6.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    3.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    4.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    5.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    3.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    5.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4894    7.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8593    8.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,145)
1226

>  <Formula> (1,145)
C17H15NO2

>  <MolWeight> (1,145)
265.3065

>  <Cat> (1,145)
S0290

>  <Name> (1,145)
SU5204

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
HER2,VEGFR

>  <Form> (1,145)
Free Base

>  <CAS> (1,145)
186611-11-0

>  <URL> (1,145)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  6  4  1  6  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,146)
1227

>  <Formula> (1,146)
C13H14N2O3

>  <MolWeight> (1,146)
246.26186

>  <Cat> (1,146)
S0323

>  <Name> (1,146)
Antineoplaston A10

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
Ras

>  <Form> (1,146)
Free Base

>  <CAS> (1,146)
91531-30-5

>  <URL> (1,146)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/02252511162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7886    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0918    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    5.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    4.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    1.2052    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6293    3.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2802    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456    3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6584    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912    6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,147)
1228

>  <Formula> (1,147)
C16H11N3O3

>  <MolWeight> (1,147)
293.27684

>  <Cat> (1,147)
S0354

>  <Name> (1,147)
Alsterpaullone

>  <Synonyms> (1,147)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (1,147)
Apoptosis related,Caspase,CDK,GSK-3

>  <Form> (1,147)
Free Base

>  <CAS> (1,147)
237430-03-4

>  <URL> (1,147)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/02252511162D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.5821    2.8486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9665    6.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3254   11.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    9.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4353    9.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7353   10.8319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    7.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8276    9.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3969    8.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4984    8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2195    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3658   10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6760    8.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1180    7.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3046   12.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7896    7.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    8.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6969   12.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4817   13.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2665   13.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0512   14.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4435   14.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,148)
1229

>  <Formula> (1,148)
C31H29FN4O5

>  <MolWeight> (1,148)
556.5841632

>  <Cat> (1,148)
S0361

>  <Name> (1,148)
AMG-1

>  <Synonyms> (1,148)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (1,148)
c-Met

>  <Form> (1,148)
Free Base

>  <CAS> (1,148)
913376-84-8

>  <URL> (1,148)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,149)
1230

>  <Formula> (1,149)
C17H16FN5

>  <MolWeight> (1,149)
309.3408432

>  <Cat> (1,149)
S0373

>  <Name> (1,149)
CZC-8004

>  <Synonyms> (1,149)
CZC-00008004

>  <Target> (1,149)
Bcr-Abl

>  <Form> (1,149)
Free Base

>  <CAS> (1,149)
916603-07-1

>  <URL> (1,149)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/02252511162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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M  END
>  <Mol_ID> (1,150)
1231

>  <Formula> (1,150)
C17H14Cl2N6O

>  <MolWeight> (1,150)
389.23866

>  <Cat> (1,150)
S0384

>  <Name> (1,150)
RO495

>  <Synonyms> (1,150)
CS-2667

>  <Target> (1,150)
JAK

>  <Form> (1,150)
Free Base

>  <CAS> (1,150)
1258296-60-4

>  <URL> (1,150)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,151)
1232

>  <Formula> (1,151)
C17H18N4O3S

>  <MolWeight> (1,151)
358.41482

>  <Cat> (1,151)
S0385

>  <Name> (1,151)
S6K-18

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
S6 Kinase

>  <Form> (1,151)
Free Base

>  <CAS> (1,151)
1265789-88-5

>  <URL> (1,151)
https://www.selleckchem.com/products/s6k-18.html

$$$$

csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,152)
1233

>  <Formula> (1,152)
C16H10F2N6O

>  <MolWeight> (1,152)
340.2870064

>  <Cat> (1,152)
S0411

>  <Name> (1,152)
BAM 15

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
AMPK,Apoptosis related,Mitochondrial Metabolism

>  <Form> (1,152)
Free Base

>  <CAS> (1,152)
210302-17-3

>  <URL> (1,152)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    8.5821    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0071    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  1 28  1  0  0  0  0
  2 17  2  0  0  0  0
  3 22  2  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  2  0  0  0  0
  5 18  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  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
M  END
>  <Mol_ID> (1,153)
1234

>  <Formula> (1,153)
C22H19N3O2S

>  <MolWeight> (1,153)
389.47016

>  <Cat> (1,153)
S0431

>  <Name> (1,153)
ML281

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
Serine/threonin kinase

>  <Form> (1,153)
Free Base

>  <CAS> (1,153)
1404437-62-2

>  <URL> (1,153)
https://www.selleckchem.com/products/ml281.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.0545    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    1.5067    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    8.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.9923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    5.1189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    7.8651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1846    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    2.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,154)
1235

>  <Formula> (1,154)
C15H12Cl2N4O

>  <MolWeight> (1,154)
335.18798

>  <Cat> (1,154)
S0454

>  <Name> (1,154)
Adjudin

>  <Synonyms> (1,154)
AF-2364

>  <Target> (1,154)
Chloride Channel,ERK,NF-¦ÊB

>  <Form> (1,154)
Free Base

>  <CAS> (1,154)
252025-52-8

>  <URL> (1,154)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    3.0572    4.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    6.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579    8.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579    6.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1701    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913    5.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,155)
1237

>  <Formula> (1,155)
C22H16N2O2

>  <MolWeight> (1,155)
340.37464

>  <Cat> (1,155)
S0775

>  <Name> (1,155)
IRAK4-IN-4

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
cGAS,IRAK

>  <Form> (1,155)
Free Base

>  <CAS> (1,155)
1850276-58-2

>  <URL> (1,155)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7525    3.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852    4.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    5.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    5.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0122    5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    6.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8530    2.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6409    0.7292    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
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,156)
1238

>  <Formula> (1,156)
C16H12ClNO

>  <MolWeight> (1,156)
269.72558

>  <Cat> (1,156)
S0780

>  <Name> (1,156)
Oncrasin-1

>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
DNA/RNA Synthesis,PKC

>  <Form> (1,156)
Free Base

>  <CAS> (1,156)
75629-57-1

>  <URL> (1,156)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/02252511162D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    6.7220    5.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0903    2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    3.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797    3.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,157)
1239

>  <Formula> (1,157)
C20H11N3O3

>  <MolWeight> (1,157)
341.31964

>  <Cat> (1,157)
S0781

>  <Name> (1,157)
IQ 3

>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
Interleukins,JNK,NF-¦ÊB,TNF-alpha

>  <Form> (1,157)
Free Base

>  <CAS> (1,157)
312538-03-7

>  <URL> (1,157)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/02252511162D

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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,158)
1240

>  <Formula> (1,158)
C16H11Cl2N3O2S

>  <MolWeight> (1,158)
380.24844

>  <Cat> (1,158)
S0795

>  <Name> (1,158)
O-304

>  <Synonyms> (1,158)
O-304X

>  <Target> (1,158)
AMPK

>  <Form> (1,158)
Free Base

>  <CAS> (1,158)
1261289-04-6

>  <URL> (1,158)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/02252511162D

 24 24  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
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 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,159)
1242

>  <Formula> (1,159)
C15H21N3O6

>  <MolWeight> (1,159)
339.34374

>  <Cat> (1,159)
S0827

>  <Name> (1,159)
LM22A-4

>  <Synonyms> (1,159)
LM 22A4

>  <Target> (1,159)
Trk receptor

>  <Form> (1,159)
Free Base

>  <CAS> (1,159)
37988-18-4

>  <URL> (1,159)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,160)
1243

>  <Formula> (1,160)
C18H13F2NO3

>  <MolWeight> (1,160)
329.2975264

>  <Cat> (1,160)
S0881

>  <Name> (1,160)
Mitochonic acid 5

>  <Synonyms> (1,160)
MA-5

>  <Target> (1,160)
ERK,Mitophagy,YAP

>  <Form> (1,160)
Free Base

>  <CAS> (1,160)
1354707-41-7

>  <URL> (1,160)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,161)
1244

>  <Formula> (1,161)
C15H9NO3

>  <MolWeight> (1,161)
251.23686

>  <Cat> (1,161)
S0890

>  <Name> (1,161)
MLS000532223

>  <Synonyms> (1,161)
N/A

>  <Target> (1,161)
Rho

>  <Form> (1,161)
Free Base

>  <CAS> (1,161)
16616-39-0

>  <URL> (1,161)
https://www.selleckchem.com/products/mls000532223.html

$$$$

csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,162)
1245

>  <Formula> (1,162)
C19H17N3O

>  <MolWeight> (1,162)
303.35778

>  <Cat> (1,162)
S0977

>  <Name> (1,162)
AC1903

>  <Synonyms> (1,162)
N/A

>  <Target> (1,162)
TRP Channel

>  <Form> (1,162)
Free Base

>  <CAS> (1,162)
831234-13-0

>  <URL> (1,162)
https://www.selleckchem.com/products/ac1903.html

$$$$

csChFnd80/02252511162D

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>  <Target> (1,163)
PDK

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Free Base

>  <CAS> (1,163)
729-46-4

>  <URL> (1,163)
https://www.selleckchem.com/products/jx06.html

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>  <Formula> (1,164)
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>  <MolWeight> (1,164)
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>  <Cat> (1,164)
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>  <Synonyms> (1,164)
N/A

>  <Target> (1,164)
Aurora Kinase,Bcr-Abl,IGF-1R,Src

>  <Form> (1,164)
Free Base

>  <CAS> (1,164)
898280-07-4

>  <URL> (1,164)
https://www.selleckchem.com/products/xl228.html

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1248

>  <Formula> (1,165)
C29H30O13

>  <MolWeight> (1,165)
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>  <Cat> (1,165)
S1273

>  <Name> (1,165)
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>  <Synonyms> (1,165)
AG

>  <Target> (1,165)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (1,165)
Free Base

>  <CAS> (1,165)
21018-84-8

>  <URL> (1,165)
https://www.selleckchem.com/products/amarogentin.html

$$$$

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>  <Formula> (1,166)
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>  <MolWeight> (1,166)
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>  <Cat> (1,166)
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N/A

>  <Target> (1,166)
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>  <Form> (1,166)
Free Base

>  <CAS> (1,166)
1139-83-9

>  <URL> (1,166)
https://www.selleckchem.com/products/urolithin-b.html

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>  <Formula> (1,167)
C16H12O3

>  <MolWeight> (1,167)
252.26468

>  <Cat> (1,167)
S1323

>  <Name> (1,167)
7-Methoxyisoflavone

>  <Synonyms> (1,167)
MIF

>  <Target> (1,167)
AMPK

>  <Form> (1,167)
Free Base

>  <CAS> (1,167)
1621-56-3

>  <URL> (1,167)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/02252511162D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,168)
1251

>  <Formula> (1,168)
C30H36Br2N4O2

>  <MolWeight> (1,168)
644.44044

>  <Cat> (1,168)
S2942

>  <Name> (1,168)
EB-3D

>  <Synonyms> (1,168)
N/A

>  <Target> (1,168)
AMPK,Apoptosis related,Choline kinase

>  <Form> (1,168)
Free Base

>  <CAS> (1,168)
1839150-63-8

>  <URL> (1,168)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/02252511162D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,169)
1252

>  <Formula> (1,169)
C13H17Cl2N3O2S

>  <MolWeight> (1,169)
350.26398

>  <Cat> (1,169)
S2964

>  <Name> (1,169)
HA-100 dihydrochloride

>  <Synonyms> (1,169)
N/A

>  <Target> (1,169)
MLCK,PKA,PKC,PKG

>  <Form> (1,169)
Dihydrochloride

>  <CAS> (1,169)
210297-47-5

>  <URL> (1,169)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5069    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    6.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    1.6194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    3.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,170)
1253

>  <Formula> (1,170)
C12H14N2O2

>  <MolWeight> (1,170)
218.25176

>  <Cat> (1,170)
S2985

>  <Name> (1,170)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (1,170)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (1,170)
Trk receptor

>  <Form> (1,170)
Free Base

>  <CAS> (1,170)
1210-83-9

>  <URL> (1,170)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/02252511162D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,171)
1254

>  <Formula> (1,171)
C3H4O3

>  <MolWeight> (1,171)
88.06206

>  <Cat> (1,171)
S3143

>  <Name> (1,171)
Pyruvic acid

>  <Synonyms> (1,171)
Acetylformic acid

>  <Target> (1,171)
ATPase,Casein Kinase,LDH

>  <Form> (1,171)
Free Base

>  <CAS> (1,171)
127-17-3

>  <URL> (1,171)
https://www.selleckchem.com/products/pyruvic-acid.html

$$$$

csChFnd80/02252511162D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,172)
1255

>  <Formula> (1,172)
C16H30O2

>  <MolWeight> (1,172)
254.4082

>  <Cat> (1,172)
S3341

>  <Name> (1,172)
Palmitoleic acid

>  <Synonyms> (1,172)
POA, Palmitoleate

>  <Target> (1,172)
AMPK

>  <Form> (1,172)
Free Base

>  <CAS> (1,172)
373-49-9

>  <URL> (1,172)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    4.6326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2290    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
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>  <Formula> (1,173)
C17H20N6O2S

>  <MolWeight> (1,173)
372.4447

>  <Cat> (1,173)
S6517

>  <Name> (1,173)
GNE-493

>  <Synonyms> (1,173)
N/A

>  <Target> (1,173)
mTOR,PI3K

>  <Form> (1,173)
Free Base

>  <CAS> (1,173)
1033735-94-2

>  <URL> (1,173)
https://www.selleckchem.com/products/gne-493.html

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>  <Mol_ID> (1,174)
1258

>  <Formula> (1,174)
C26H24IN7O

>  <MolWeight> (1,174)
577.41953

>  <Cat> (1,174)
S6912

>  <Name> (1,174)
Vacuolin-1

>  <Synonyms> (1,174)
N/A

>  <Target> (1,174)
Autophagy,PIKfyve

>  <Form> (1,174)
Free Base

>  <CAS> (1,174)
351986-85-1

>  <URL> (1,174)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,175)
1259

>  <Formula> (1,175)
C21H19F2NO3

>  <MolWeight> (1,175)
371.3772664

>  <Cat> (1,175)
S6920

>  <Name> (1,175)
SEA0400

>  <Synonyms> (1,175)
N/A

>  <Target> (1,175)
Calcium Channel,ERK,NCX,p38 MAPK,ROS,Sodium Channel

>  <Form> (1,175)
Free Base

>  <CAS> (1,175)
223104-29-8

>  <URL> (1,175)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,176)
1260

>  <Formula> (1,176)
C22H27ClN4O5

>  <MolWeight> (1,176)
462.92658

>  <Cat> (1,176)
S6921

>  <Name> (1,176)
Dorzagliatin

>  <Synonyms> (1,176)
HMS-5552, RO-5305552, Sinogliatin

>  <Target> (1,176)
Carbohydrate Metabolism

>  <Form> (1,176)
Free Base

>  <CAS> (1,176)
1191995-00-2

>  <URL> (1,176)
https://www.selleckchem.com/products/dorzagliatin.html

$$$$

csChFnd80/02252511162D

  1  0  0  0  0  0  0  0  0  0999 V2000
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A    1
No Structure
M  END
>  <Mol_ID> (1,177)
1261

>  <Formula> (1,177)
R

>  <Cat> (1,177)
S6955

>  <Name> (1,177)
Insulin (human)

>  <Synonyms> (1,177)
Insulin regular

>  <Target> (1,177)
IGF-1R

>  <Form> (1,177)
Free Base

>  <CAS> (1,177)
11061-68-0

>  <URL> (1,177)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,178)
1262

>  <Formula> (1,178)
C40H52N8O10S2

>  <MolWeight> (1,178)
869.01848

>  <Cat> (1,178)
S8979

>  <Name> (1,178)
THAL-SNS-032

>  <Synonyms> (1,178)
N/A

>  <Target> (1,178)
CDK,E3 Ligase ,PROTAC

>  <Form> (1,178)
Free Base

>  <CAS> (1,178)
2139287-33-3

>  <URL> (1,178)
https://www.selleckchem.com/products/thal-sns-032.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,179)
1263

>  <Formula> (1,179)
C32H33ClN8O2

>  <MolWeight> (1,179)
597.10982

>  <Cat> (1,179)
S9643

>  <Name> (1,179)
DGY-06-116

>  <Synonyms> (1,179)
N/A

>  <Target> (1,179)
Src

>  <Form> (1,179)
Free Base

>  <CAS> (1,179)
2556836-50-9

>  <URL> (1,179)
https://www.selleckchem.com/products/dgy-06-116.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,180)
1264

>  <Formula> (1,180)
C29H36F3N3O8S

>  <MolWeight> (1,180)
643.6716496

>  <Cat> (1,180)
S9698

>  <Name> (1,180)
Ezatiostat

>  <Synonyms> (1,180)
TER199, TLK199, Telintra

>  <Target> (1,180)
Apoptosis related,ERK,JNK,Transferase

>  <Form> (1,180)
Free Base

>  <CAS> (1,180)
168682-53-9

>  <URL> (1,180)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

csChFnd80/02252511162D

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848249-10-5

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phosphatase

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2160546-07-4

>  <URL> (1,182)
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C20H12O7

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Dyes,PI3K

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Free Base

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2103-64-2

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2140807-05-0

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  4 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,185)
1269

>  <Formula> (1,185)
C24H24N2O3S

>  <MolWeight> (1,185)
420.52396

>  <Cat> (1,185)
S9724

>  <Name> (1,185)
SZL P1-41

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
Apoptosis related,E3 Ligase

>  <Form> (1,185)
Free Base

>  <CAS> (1,185)
222716-34-9

>  <URL> (1,185)
http://www.selleckchem.com/products/szl-p1-41.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,186)
1270

>  <Formula> (1,186)
C29H29N7O3S

>  <MolWeight> (1,186)
555.65066

>  <Cat> (1,186)
S8948

>  <Name> (1,186)
SRX3207

>  <Synonyms> (1,186)
N/A

>  <Target> (1,186)
Epigenetic Reader Domain,PI3K,Syk

>  <Form> (1,186)
Free Base

>  <CAS> (1,186)
2254693-15-5

>  <URL> (1,186)
http://www.selleckchem.com/products/srx3207.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,187)
1271

>  <Formula> (1,187)
C29H29ClN6O4

>  <MolWeight> (1,187)
561.03136

>  <Cat> (1,187)
S9786

>  <Name> (1,187)
BDTX-189

>  <Synonyms> (1,187)
N/A

>  <Target> (1,187)
EGFR,HER2,RIP kinase

>  <Form> (1,187)
Free Base

>  <CAS> (1,187)
2414572-47-5

>  <URL> (1,187)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

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 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 34  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 35  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
>  <Mol_ID> (1,188)
1272

>  <Formula> (1,188)
C24H27Cl3FN5O3

>  <MolWeight> (1,188)
558.8602832

>  <Cat> (1,188)
S0711

>  <Name> (1,188)
Canertinib dihydrochloride

>  <Synonyms> (1,188)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (1,188)
EGFR

>  <Form> (1,188)
Dihydrochloride

>  <CAS> (1,188)
289499-45-2

>  <URL> (1,188)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/02252511162D

 19 22  0  0  0  0  0  0  0  0999 V2000
    6.8894    4.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6009    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6224    3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2524    4.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 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> (1,189)
1273

>  <Formula> (1,189)
C13H8N4OS

>  <MolWeight> (1,189)
268.29382

>  <Cat> (1,189)
S9668

>  <Name> (1,189)
PKR-IN-C16

>  <Synonyms> (1,189)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (1,189)
Apoptosis related,eIF,Interleukins,PKR

>  <Form> (1,189)
Free Base

>  <CAS> (1,189)
608512-97-6

>  <URL> (1,189)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/02252511162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.4954    4.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9143    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  3  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,190)
1274

>  <Formula> (1,190)
C17H15ClO2

>  <MolWeight> (1,190)
286.7528

>  <Cat> (1,190)
S7586

>  <Name> (1,190)
PS-48

>  <Synonyms> (1,190)
N/A

>  <Target> (1,190)
PDPK1

>  <Form> (1,190)
Free Base

>  <CAS> (1,190)
1180676-32-7

>  <URL> (1,190)
http://www.selleckchem.com/products/ps48.html

$$$$

csChFnd80/02252511162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4382    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4382    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    2.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    2.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    4.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0061    2.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0755    2.7920    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3209    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0755    4.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5428    2.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9854    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3760    6.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,191)
1275

>  <Formula> (1,191)
C16H22O3

>  <MolWeight> (1,191)
262.34408

>  <Cat> (1,191)
S4572

>  <Name> (1,191)
Homosalate

>  <Synonyms> (1,191)
HMS, Homomenthyl salicylate

>  <Target> (1,191)
Akt,PI3K

>  <Form> (1,191)
Free Base

>  <CAS> (1,191)
118-56-9

>  <URL> (1,191)
http://www.selleckchem.com/products/homosalate.html

$$$$

csChFnd80/02252511162D

 41 44  0  0  0  0  0  0  0  0999 V2000
    2.0135    0.0024    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8549    0.0023    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5154   13.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7236   11.2339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1236    4.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5154    6.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7236   12.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9318   13.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 37  1  0  0  0  0
  2  8  2  0  0  0  0
  2 40  1  0  0  0  0
  2 41  1  0  0  0  0
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  5 18  2  0  0  0  0
  6 24  2  0  0  0  0
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  9 14  1  0  0  0  0
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 10 23  1  0  0  0  0
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 12 21  1  0  0  0  0
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 13 38  1  0  0  0  0
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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 31 32  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,192)
1276

>  <Formula> (1,192)
C28H29FIN5O5S

>  <MolWeight> (1,192)
693.5282332

>  <Cat> (1,192)
S4484

>  <Name> (1,192)
Trametinib DMSO solvate

>  <Synonyms> (1,192)
GSK1120212, JTP-74057, Mekinist

>  <Target> (1,192)
Apoptosis related,Autophagy,MEK

>  <Form> (1,192)
Free Base

>  <CAS> (1,192)
1187431-43-1

>  <URL> (1,192)
http://www.selleckchem.com/products/trametinib-dmso-solvate.html

$$$$

csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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   12.2368    3.5961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1539    5.9351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8508    1.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0041    1.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    5.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5539    5.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539    7.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    4.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 20  2  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
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  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
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  6 24  1  0  0  0  0
  6 27  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  2  0  0  0  0
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  8 26  1  0  0  0  0
  9 22  1  0  0  0  0
  9 30  1  0  0  0  0
 10 30  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (1,193)
1277

>  <Formula> (1,193)
C23H31ClN8O

>  <MolWeight> (1,193)
470.99824

>  <Cat> (1,193)
S5187

>  <Name> (1,193)
Ribociclib hydrochloride

>  <Synonyms> (1,193)
LEE011 hydrochloride

>  <Target> (1,193)
CDK

>  <Form> (1,193)
Hydrochloride

>  <CAS> (1,193)
1211443-80-9

>  <URL> (1,193)
http://www.selleckchem.com/products/ribociclib-hydrochloride.html

$$$$

csChFnd80/02252511162D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.1544    4.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1544    3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    2.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792    3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792    4.7867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    5.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9107    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7336    4.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9107    5.2193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    2.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3433    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7127    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1454    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6495    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0419    2.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6113    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5709    4.4413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    4.1213    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7172    5.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6  5  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 10  1  0  0  0  0
 19 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (1,194)
1278

>  <Formula> (1,194)
C21H22F2N6O2

>  <MolWeight> (1,194)
428.4351864

>  <Cat> (1,194)
S5860

>  <Name> (1,194)
Larotrectinib

>  <Synonyms> (1,194)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (1,194)
Trk receptor

>  <Form> (1,194)
Free Base

>  <CAS> (1,194)
1223403-58-4

>  <URL> (1,194)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    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
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4 27  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,195)
1279

>  <Formula> (1,195)
C21H19NO5

>  <MolWeight> (1,195)
365.37926

>  <Cat> (1,195)
S0235

>  <Name> (1,195)
Lavendustin B

>  <Synonyms> (1,195)
N/A

>  <Target> (1,195)
GLUT,Integrase

>  <Form> (1,195)
Free Base

>  <CAS> (1,195)
125697-91-8

>  <URL> (1,195)
http://www.selleckchem.com/products/lavendustin-b.html

$$$$

csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2126    4.1957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    4.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6842    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758    4.1982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8011    0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  2  0  0  0  0
  4 17  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 12  2  0  0  0  0
  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,196)
1280

>  <Formula> (1,196)
C16H13Cl2N3O2

>  <MolWeight> (1,196)
350.19932

>  <Cat> (1,196)
S0374

>  <Name> (1,196)
GDC046

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
JAK

>  <Form> (1,196)
Free Base

>  <CAS> (1,196)
1258292-64-6

>  <URL> (1,196)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   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
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,197)
1281

>  <Formula> (1,197)
C19H18FN3O2

>  <MolWeight> (1,197)
339.3635232

>  <Cat> (1,197)
S0995

>  <Name> (1,197)
BioE-1115

>  <Synonyms> (1,197)
N/A

>  <Target> (1,197)
Casein Kinase,Serine/threonin kinase

>  <Form> (1,197)
Free Base

>  <CAS> (1,197)
1268863-35-9

>  <URL> (1,197)
http://www.selleckchem.com/products/bioe-1115.html

$$$$

csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8778    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    5.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5059    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4356    2.0355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8605    3.4355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0730    4.1355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1742    3.3869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1742    6.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0108    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2232    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398    4.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4356    3.4355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8048    2.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664    2.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    5.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4348    3.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4978    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9227    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2854    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9227    5.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4978    5.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    6.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4428    4.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4428    5.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
 12  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6 22  2  0  0  0  0
  7 21  2  0  0  0  0
  7 27  1  0  0  0  0
  8 24  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,198)
1282

>  <Formula> (1,198)
C20H19ClN6O

>  <MolWeight> (1,198)
394.85746

>  <Cat> (1,198)
S8988

>  <Name> (1,198)
Rhosin hydrochloride

>  <Synonyms> (1,198)
G04 hydrochloride, Rhosin HCl

>  <Target> (1,198)
Apoptosis related,Rho

>  <Form> (1,198)
Hydrochloride

>  <CAS> (1,198)
1281870-42-5

>  <URL> (1,198)
http://www.selleckchem.com/products/rhosin-hydrochloride.html

$$$$

csChFnd80/02252511162D

 40 43  0  0  0  0  0  0  0  0999 V2000
   15.1539    6.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6377    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2368    7.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1539    9.3803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    8.8678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.5678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6718    5.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8508    4.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0041    5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6757    3.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065    3.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0539    8.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2368    9.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539    8.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5540    9.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539   10.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0003    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2127    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7878    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4 39  2  0  0  0  0
  5 40  2  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
  7 25  1  0  0  0  0
  8 23  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 32  1  0  0  0  0
 11 25  1  0  0  0  0
 11 33  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 33  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 36  1  0  0  0  0
 34 36  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,199)
1283

>  <Formula> (1,199)
C27H36N8O5

>  <MolWeight> (1,199)
552.62534

>  <Cat> (1,199)
S5188

>  <Name> (1,199)
Ribociclib succinate

>  <Synonyms> (1,199)
LEE011 succinate, Kisqali

>  <Target> (1,199)
CDK

>  <Form> (1,199)
Succinate

>  <CAS> (1,199)
1374639-75-4

>  <URL> (1,199)
http://www.selleckchem.com/products/ribociclib-succinate.html

$$$$

csChFnd80/02252511162D

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.6995   11.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 21  1  0  0  0  0
  5 25  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 23  1  0  0  0  0
  9 27  1  0  0  0  0
 10 27  1  0  0  0  0
 10 35  2  0  0  0  0
 11 31  1  0  0  0  0
 11 35  1  0  0  0  0
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 12 40  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 31  1  0  0  0  0
 28 34  2  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,200)
1284

>  <Formula> (1,200)
C28H38Cl3N5O3S

>  <MolWeight> (1,200)
631.05702

>  <Cat> (1,200)
S4967

>  <Name> (1,200)
Ceritinib dihydrochloride

>  <Synonyms> (1,200)
Zykadia, LDK378 dihydrochloride

>  <Target> (1,200)
ALK,IGF-1R,Serine/threonin kinase

>  <Form> (1,200)
Dihydrochloride

>  <CAS> (1,200)
1380575-43-8

>  <URL> (1,200)
http://www.selleckchem.com/products/ceritinib-dihydrochloride.html

$$$$

csChFnd80/02252511162D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   11.2425    8.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9587    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    6.0874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    5.1584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8176    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    6.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6052    2.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4549    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6674    6.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    8.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,201)
1285

>  <Formula> (1,201)
C21H23Cl3FN5O

>  <MolWeight> (1,201)
486.7976232

>  <Cat> (1,201)
S5190

>  <Name> (1,201)
Crizotinib hydrochloride

>  <Synonyms> (1,201)
Xalkori, PF-02341066 hydrochloride

>  <Target> (1,201)
ALK,Autophagy,c-Met,ROS1

>  <Form> (1,201)
Hydrochloride

>  <CAS> (1,201)
1415560-69-8

>  <URL> (1,201)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/02252511162D

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  1 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,202)
1286

>  <Formula> (1,202)
C32H37N7O3

>  <MolWeight> (1,202)
567.68128

>  <Cat> (1,202)
S8393

>  <Name> (1,202)
HG-9-91-01

>  <Synonyms> (1,202)
SIK inhibitor 1

>  <Target> (1,202)
SIK

>  <Form> (1,202)
Free Base

>  <CAS> (1,202)
1456858-58-4

>  <URL> (1,202)
http://www.selleckchem.com/products/hg-9-91-01.html

$$$$

csChFnd80/02252511162D

 43 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,203)
1287

>  <Formula> (1,203)
C31H40N8O3S

>  <MolWeight> (1,203)
604.7661

>  <Cat> (1,203)
S8917

>  <Name> (1,203)
ME-401

>  <Synonyms> (1,203)
P110¦Ä-IN-1, PWT-143

>  <Target> (1,203)
PI3K

>  <Form> (1,203)
Free Base

>  <CAS> (1,203)
1595129-71-7

>  <URL> (1,203)
http://www.selleckchem.com/products/me-401.html

$$$$

csChFnd80/02252511162D

 33 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,204)
1288

>  <Formula> (1,204)
C23H25N9O

>  <MolWeight> (1,204)
443.5043

>  <Cat> (1,204)
S9715

>  <Name> (1,204)
Lanraplenib (GS-9876)

>  <Synonyms> (1,204)
GS-SYK

>  <Target> (1,204)
Syk

>  <Form> (1,204)
Free Base

>  <CAS> (1,204)
1800046-95-0

>  <URL> (1,204)
http://www.selleckchem.com/products/lanraplenib.html

$$$$

csChFnd80/02252511162D

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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  3 16  1  0  0  0  0
  1 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 17  1  0  0  0  0
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 21 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,205)
1289

>  <Formula> (1,205)
C20H21N7O

>  <MolWeight> (1,205)
375.42704

>  <Cat> (1,205)
S9864

>  <Name> (1,205)
Elimusertib (BAY-1895344)

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
ATM/ATR

>  <Form> (1,205)
Free Base

>  <CAS> (1,205)
1876467-74-1

>  <URL> (1,205)
http://www.selleckchem.com/products/elimusertib-bay-1895344-.html

$$$$

csChFnd80/02252511162D

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   15.7616    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 34 35  1  0  0  0  0
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 20 21  1  0  0  0  0
  7 20  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
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  6 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,206)
1290

>  <Formula> (1,206)
C32H34ClN7O3

>  <MolWeight> (1,206)
600.11046

>  <Cat> (1,206)
S9646

>  <Name> (1,206)
YKL-05-099

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
SIK

>  <Form> (1,206)
Free Base

>  <CAS> (1,206)
1936529-65-5

>  <URL> (1,206)
http://www.selleckchem.com/products/ykl-05-099.html

$$$$

csChFnd80/02252511162D

  9  8  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,207)
1291

>  <Formula> (1,207)
C4H11N5

>  <MolWeight> (1,207)
129.16364

>  <Cat> (1,207)
S5958

>  <Name> (1,207)
Metformin

>  <Synonyms> (1,207)
1,1-Dimethylbiguanide

>  <Target> (1,207)
AMPK,Apoptosis related,JNK,Mitophagy,p38 MAPK

>  <Form> (1,207)
Free Base

>  <CAS> (1,207)
657-24-9

>  <URL> (1,207)
http://www.selleckchem.com/products/metformin.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,208)
1292

>  <Formula> (1,208)
C17H15N3O6

>  <MolWeight> (1,208)
357.3175

>  <Cat> (1,208)
S4842

>  <Name> (1,208)
Balsalazide

>  <Synonyms> (1,208)
Colazal, Giazo

>  <Target> (1,208)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (1,208)
Free Base

>  <CAS> (1,208)
80573-04-2

>  <URL> (1,208)
http://www.selleckchem.com/products/balsalazide.html

$$$$

csChFnd80/02252511162D

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    1.2124    3.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    5.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    2.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    5.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    5.4642    0.0000 C   0  0  0  0  0  0  0  0  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
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,209)
1293

>  <Formula> (1,209)
C21H16Cl2F4N4O3

>  <MolWeight> (1,209)
519.2763528

>  <Cat> (1,209)
S4947

>  <Name> (1,209)
Regorafenib Hydrochloride

>  <Synonyms> (1,209)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (1,209)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (1,209)
Hydrochloride

>  <CAS> (1,209)
835621-07-3

>  <URL> (1,209)
http://www.selleckchem.com/products/regorafenib-hydrochloride.html

$$$$

csChFnd80/02252511162D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.7497    2.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3490    3.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  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
M  END
>  <Mol_ID> (1,210)
1294

>  <Formula> (1,210)
C14H13N3OS

>  <MolWeight> (1,210)
271.33752

>  <Cat> (1,210)
S0981

>  <Name> (1,210)
BD750

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
JAK,STAT

>  <Form> (1,210)
Free Base

>  <CAS> (1,210)
892686-59-8

>  <URL> (1,210)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/02252511162D

 48 43  0  0  0  0  0  0  0  0999 V2000
   17.0439    1.3953    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.3579    0.0212    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   19.7561    1.3650    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   10.8970    7.6474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8356    7.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4392    1.3953    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    6.4758   10.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7758   11.8143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8356    4.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3714    4.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8957    4.8544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0554    4.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583    6.9404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0481    6.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0481    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4221    6.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5253    8.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6229    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6229    6.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8356    3.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3714    7.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1041    5.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1027    7.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6894    5.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6887    6.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8472    6.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    5.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    7.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    6.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    3.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    9.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 37  1  0  0  0  0
  5 26  1  0  0  0  0
  5 31  1  0  0  0  0
  6 27  2  0  0  0  0
  7 32  1  0  0  0  0
 11 43  1  0  0  0  0
 11 46  1  0  0  0  0
 12 44  1  0  0  0  0
 12 47  1  0  0  0  0
 13 45  1  0  0  0  0
 13 48  1  0  0  0  0
 20 27  1  0  0  0  0
 20 30  1  0  0  0  0
 20 32  1  0  0  0  0
 21 30  1  0  0  0  0
 21 34  2  0  0  0  0
 22 34  1  0  0  0  0
 22 36  1  0  0  0  0
 23 36  2  0  0  0  0
 23 38  1  0  0  0  0
 24 38  1  0  0  0  0
 24 40  1  0  0  0  0
 25 38  2  0  0  0  0
 25 39  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
 30 31  2  0  0  0  0
 31 33  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  2  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 44  1  0  0  0  0
 42 43  2  0  0  0  0
 43 45  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
>  <Mol_ID> (1,211)
1295

>  <Formula> (1,211)
C23H36FN6Na2O15P

>  <MolWeight> (1,211)
732.5148442

>  <Cat> (1,211)
S4944

>  <Name> (1,211)
Fostamatinib disodium hexahydrate

>  <Synonyms> (1,211)
Tavalisse, R788 disodium hexahydrate, Tamatinib Fosdium hexahydrate

>  <Target> (1,211)
Syk

>  <Form> (1,211)
Disodium hexahydrate

>  <CAS> (1,211)
914295-16-2

>  <URL> (1,211)
http://www.selleckchem.com/products/fostamatinib-disodium-hexahydrate.html

$$$$

csChFnd80/02252511162D

 41 43  0  0  0  0  0  0  0  0999 V2000
   10.9474   11.1516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    7.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    9.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9911    8.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   14.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    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
    4.7700   13.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   13.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374   14.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1603   15.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  1  0  0  0  0
  5 24  2  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 24  1  0  0  0  0
  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
 10 29  2  0  0  0  0
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 11 34  2  0  0  0  0
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 12 37  1  0  0  0  0
 13 39  1  0  0  0  0
 13 41  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
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 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 31  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 30 32  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  2  0  0  0  0
 36 37  2  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (1,212)
1296

>  <Formula> (1,212)
C28H25ClF3N7O2

>  <MolWeight> (1,212)
583.9920096

>  <Cat> (1,212)
S4895

>  <Name> (1,212)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (1,212)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (1,212)
AMPK,Autophagy,Bcr-Abl

>  <Form> (1,212)
Hydrochloride monohydrate

>  <CAS> (1,212)
923288-90-8

>  <URL> (1,212)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.0474    9.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  4  1  0  0  0  0
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  3 24  2  0  0  0  0
 27  9  2  0  0  0  0
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 11  2  1  0  0  0  0
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  1 18  2  0  0  0  0
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 23  8  1  0  0  0  0
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 14  3  1  0  0  0  0
 25  5  1  0  0  0  0
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  7 22  1  0  0  0  0
 19  2  1  0  0  0  0
 16 24  1  0  0  0  0
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 13  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,213)
1297

>  <Formula> (1,213)
C22H28Cl2O4

>  <MolWeight> (1,213)
427.36132

>  <Cat> (1,213)
E0001

>  <Name> (1,213)
DCPIB

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
Potassium Channel,VRAC

>  <Form> (1,213)
Free Base

>  <CAS> (1,213)
82749-70-0

>  <URL> (1,213)
http://www.selleckchem.com/products/dcpib.html

$$$$

csChFnd80/02252511162D

 35 37  0  0  0  0  0  0  0  0999 V2000
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   13.4730    6.6126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  1   1  -1
M  CHG  1   2   1
M  RAD  1   3   1
M  END
>  <Mol_ID> (1,214)
1298

>  <Formula> (1,214)
C29H35ClN2O2P **

>  <MolWeight> (1,214)
510.027161

>  <Cat> (1,214)
S9733

>  <Name> (1,214)
Mito-TEMPO

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
RIP kinase

>  <Form> (1,214)
Free Base

>  <CAS> (1,214)
1334850-99-5

>  <URL> (1,214)
http://www.selleckchem.com/products/mito-tempo.html

$$$$

csChFnd80/02252511162D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,215)
1299

>  <Formula> (1,215)
C24H25N7O5

>  <MolWeight> (1,215)
491.4992

>  <Cat> (1,215)
S9779

>  <Name> (1,215)
Emavusertib (CA-4948)

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
FLT3,IRAK

>  <Form> (1,215)
Free Base

>  <CAS> (1,215)
1801344-14-8

>  <URL> (1,215)
http://www.selleckchem.com/products/ca-4948.html

$$$$

csChFnd80/02252511162D

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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,216)
1300

>  <Formula> (1,216)
C25H20N6O3

>  <MolWeight> (1,216)
452.4647

>  <Cat> (1,216)
S9780

>  <Name> (1,216)
JH-X-119-01

>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
IRAK

>  <Form> (1,216)
Free Base

>  <CAS> (1,216)
2227368-54-7

>  <URL> (1,216)
http://www.selleckchem.com/products/jh-x-119-01.html

$$$$

csChFnd80/02252511162D

 40 45  0  0  0  0  0  0  0  0999 V2000
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    3.6021    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819    3.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    3.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    4.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5534    2.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0158    9.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6315    7.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6214    6.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667    8.9662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 31  5  2  0  0  0  0
 23 11  1  0  0  0  0
  8 11  2  0  0  0  0
 26  4  1  0  0  0  0
 12 29  1  0  0  0  0
 36 24  2  0  0  0  0
 19  8  1  0  0  0  0
 28 20  1  0  0  0  0
 15 21  1  0  0  0  0
 27 33  1  0  0  0  0
  7  8  1  0  0  0  0
 25 22  1  0  0  0  0
 32 10  1  0  0  0  0
  3  7  1  0  0  0  0
  2 14  1  0  0  0  0
  1  6  2  0  0  0  0
 25  5  1  0  0  0  0
  9 14  1  0  0  0  0
 20 30  1  0  0  0  0
 35  4  2  0  0  0  0
 34 27  1  0  0  0  0
 10 24  1  0  0  0  0
 21 32  2  0  0  0  0
 15  3  2  0  0  0  0
 26 23  2  0  0  0  0
 33 31  1  0  0  0  0
  3 26  1  0  0  0  0
 14 30  2  0  0  0  0
 13 23  1  0  0  0  0
 10 20  2  0  0  0  0
 12  6  1  0  0  0  0
  7  9  2  0  0  0  0
 32  9  1  0  0  0  0
  2 17  1  0  0  0  0
  5  4  1  0  0  0  0
 19 18  1  0  0  0  0
 21  1  1  0  0  0  0
 27 16  1  0  0  0  0
  6 24  1  0  0  0  0
 16  1  1  0  0  0  0
 31 15  1  0  0  0  0
 27 37  1  0  0  0  0
 16 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,217)
1301

>  <Formula> (1,217)
C30H26O10

>  <MolWeight> (1,217)
546.52144

>  <Cat> (1,217)
E0010

>  <Name> (1,217)
Hypocrellin A

>  <Synonyms> (1,217)
N/A

>  <Target> (1,217)
Antiviral,Bacterial,PKC

>  <Form> (1,217)
Free Base

>  <CAS> (1,217)
77029-83-5

>  <URL> (1,217)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.4186    5.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    3.9869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1282    3.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6033    1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165    2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891    4.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    1.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    6.9769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5419    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3916    4.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    4.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 13 14  2  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 12  4  1  0  0  0  0
  2 15  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
  6 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  1  0  0  0
M  END
>  <Mol_ID> (1,218)
1302

>  <Formula> (1,218)
C15H16O3

>  <MolWeight> (1,218)
244.28574

>  <Cat> (1,218)
E0011

>  <Name> (1,218)
Linderalactone

>  <Synonyms> (1,218)
N/A

>  <Target> (1,218)
Bcl-2,JAK,STAT

>  <Form> (1,218)
Free Base

>  <CAS> (1,218)
728-61-0

>  <URL> (1,218)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/02252511162D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.2123    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.3123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0621    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.0123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  1  0  0  0
  4  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  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  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  6  0  0  0
 17 25  1  0  0  0  0
 25 27  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 11 31  1  0  0  0  0
 31 32  1  0  0  0  0
  3 32  1  0  0  0  0
  7 32  1  0  0  0  0
 32 33  1  1  0  0  0
  1 34  2  0  0  0  0
 31 35  1  6  0  0  0
M  END
>  <Mol_ID> (1,219)
1303

>  <Formula> (1,219)
C30H48O

>  <MolWeight> (1,219)
424.70152

>  <Cat> (1,219)
E0020

>  <Name> (1,219)
Lupenone

>  <Synonyms> (1,219)
Lup-20(29)-en-3-one, lupeone

>  <Target> (1,219)
Akt,Apoptosis related,Immunology & Inflammation related,PI3K

>  <Form> (1,219)
Free Base

>  <CAS> (1,219)
1617-70-5

>  <URL> (1,219)
http://www.selleckchem.com/products/lupenone.html

$$$$

csChFnd80/02252511162D

 60 68  0  0  0  0  0  0  0  0999 V2000
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    3.4331   11.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1434   10.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    6.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1268    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7872   10.9019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1945   12.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7047   10.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7442   13.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7116   12.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3012    9.4725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4453   10.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1866   13.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   14.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8998    9.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2141   11.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,220)
1304

>  <Formula> (1,220)
C44H70O16

>  <MolWeight> (1,220)
855.017

>  <Cat> (1,220)
E0022

>  <Name> (1,220)
Ophiopogonin D

>  <Synonyms> (1,220)
OJV-VI, Deacetylophiopogonin C

>  <Target> (1,220)
AMPK,Immunology & Inflammation related,NF-¦ÊB

>  <Form> (1,220)
Free Base

>  <CAS> (1,220)
945619-74-9

>  <URL> (1,220)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,221)
1305

>  <Formula> (1,221)
C90H154N30O17

>  <MolWeight> (1,221)
1928.37656

>  <Cat> (1,221)
P1083

>  <Name> (1,221)
ZIP

>  <Synonyms> (1,221)
myristoyl-Ser-Ile-Tyr-Arg-Arg-Gly-Ala-Arg-Arg-Trp-Arg-Lys-Leu-OH

>  <Target> (1,221)
PKM

>  <Form> (1,221)
Free Base

>  <CAS> (1,221)
863987-12-6

>  <URL> (1,221)
http://www.selleckchem.com/peptide/ZIP.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,222)
1306

>  <Formula> (1,222)
C32H29NO5

>  <MolWeight> (1,222)
507.57636

>  <Cat> (1,222)
S0326

>  <Name> (1,222)
Olodanrigan (EMA401)

>  <Synonyms> (1,222)
PD-126055, (S) PD-126055

>  <Target> (1,222)
Angiotensin Receptor

>  <Form> (1,222)
Free Base

>  <CAS> (1,222)
1316755-16-4

>  <URL> (1,222)
http://www.selleckchem.com/products/ema401.html

$$$$

csChFnd80/02252511162D

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 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,223)
1307

>  <Formula> (1,223)
C24H15F2N3

>  <MolWeight> (1,223)
383.3928064

>  <Cat> (1,223)
S0350

>  <Name> (1,223)
CK1-IN-1

>  <Synonyms> (1,223)
PUN51207, Compound 1C

>  <Target> (1,223)
Casein Kinase

>  <Form> (1,223)
Free Base

>  <CAS> (1,223)
1784751-20-7

>  <URL> (1,223)
http://www.selleckchem.com/products/ck1-in-1.html

$$$$

csChFnd80/02252511162D

 25 29  0  0  0  0  0  0  0  0999 V2000
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  3 16  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  2  0  0  0  0
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  9 17  2  0  0  0  0
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M  END
>  <Mol_ID> (1,224)
1308

>  <Formula> (1,224)
C20H13N3O2

>  <MolWeight> (1,224)
327.33612

>  <Cat> (1,224)
S0754

>  <Name> (1,224)
Bisindolylmaleimide IV

>  <Synonyms> (1,224)
Arcyriarubin A, BIM IV, Compound 5/1a

>  <Target> (1,224)
CMV,PKA,PKC

>  <Form> (1,224)
Free Base

>  <CAS> (1,224)
119139-23-0

>  <URL> (1,224)
http://www.selleckchem.com/products/bisindolylmaleimide-iv.html

$$$$

csChFnd80/02252511162D

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  7  8  1  0  0  0  0
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M  CFW  10 B_NG_STER 3
M  END
>  <Mol_ID> (1,225)
1309

>  <Formula> (1,225)
C15H10O4

>  <MolWeight> (1,225)
254.2375

>  <Cat> (1,225)
S0817

>  <Name> (1,225)
SKI-V

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
Apoptosis related,PI3K,S1P Receptor,SPHK

>  <Form> (1,225)
Free Base

>  <CAS> (1,225)
24418-86-8

>  <URL> (1,225)
http://www.selleckchem.com/products/ski-v.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,226)
1310

>  <Formula> (1,226)
C20H22N4O2

>  <MolWeight> (1,226)
350.41428

>  <Cat> (1,226)
S1976

>  <Name> (1,226)
LCH-7749944

>  <Synonyms> (1,226)
GNF-PF-2356

>  <Target> (1,226)
PAK

>  <Form> (1,226)
Free Base

>  <CAS> (1,226)
796888-12-5

>  <URL> (1,226)
http://www.selleckchem.com/products/lch-7749944.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,227)
1311

>  <Formula> (1,227)
C16H17F3N4O2

>  <MolWeight> (1,227)
354.3269896

>  <Cat> (1,227)
S3393

>  <Name> (1,227)
SBP-7455

>  <Synonyms> (1,227)
N/A

>  <Target> (1,227)
ULK

>  <Form> (1,227)
Free Base

>  <CAS> (1,227)
1884222-74-5

>  <URL> (1,227)
http://www.selleckchem.com/products/sbp-7455.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,228)
1312

>  <Formula> (1,228)
C20H27N7O3S

>  <MolWeight> (1,228)
445.53848

>  <Cat> (1,228)
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>  <Name> (1,228)
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>  <Synonyms> (1,228)
PRT2070

>  <Target> (1,228)
JAK,Syk

>  <Form> (1,228)
Free Base

>  <CAS> (1,228)
1198300-79-6

>  <URL> (1,228)
http://www.selleckchem.com/products/cerdulatinib.html

$$$$

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 10 11  2  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 10 16  1  0  0  0  0
  7 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 12 17  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  4 27  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
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  3 31  1  6  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
  1 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,229)
1313

>  <Formula> (1,229)
C22H23N5O8

>  <MolWeight> (1,229)
485.44672

>  <Cat> (1,229)
S4460

>  <Name> (1,229)
IMM-H007

>  <Synonyms> (1,229)
N/A

>  <Target> (1,229)
AMPK,JNK,NF-¦ÊB

>  <Form> (1,229)
Free Base

>  <CAS> (1,229)
1221412-23-2

>  <URL> (1,229)
http://www.selleckchem.com/products/imm-h007.html

$$$$

csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   12.3813    7.9394    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0813    6.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6813    9.1518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5937    8.6394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2527    5.7088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
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 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  1  0  0  0  0
 18 22  1  0  0  0  0
 13 16  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 15 24  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,230)
1314

>  <Formula> (1,230)
C22H20BrN3O3S

>  <MolWeight> (1,230)
486.3815

>  <Cat> (1,230)
S6000

>  <Name> (1,230)
CID44216842

>  <Synonyms> (1,230)
Cdc42-IN-1

>  <Target> (1,230)
Rho

>  <Form> (1,230)
Free Base

>  <CAS> (1,230)
1222513-26-9

>  <URL> (1,230)
http://www.selleckchem.com/products/cid44216842.html

$$$$

csChFnd80/02252511162D

 27 31  0  0  0  0  0  0  0  0999 V2000
   13.5530    4.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5530    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3407    2.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1282    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1282    4.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3407    5.6957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846    3.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7075    4.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846    5.4284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    5.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3407    1.4957    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  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7  2  1  0  0  0  0
  5 10  2  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 15  1  0  0  0  0
 11 15  1  0  0  0  0
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 19 14  2  0  0  0  0
 16 13  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 18 20  1  0  0  0  0
  4 11  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,231)
1315

>  <Formula> (1,231)
C19H20N6OS

>  <MolWeight> (1,231)
380.4667

>  <Cat> (1,231)
S6060

>  <Name> (1,231)
HPK1-IN-2

>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
FLT3,Serine/threonin kinase,Src

>  <Form> (1,231)
Free Base

>  <CAS> (1,231)
2056122-11-1

>  <URL> (1,231)
http://www.selleckchem.com/products/hpk1-in-2.html

$$$$

csChFnd80/02252511162D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.4011    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2668    2.3559    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668    2.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668    4.7808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898    3.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898    1.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    4.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4594    6.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    3.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    6.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
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  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,232)
1316

>  <Formula> (1,232)
C12H22ClN3OS

>  <MolWeight> (1,232)
291.84058

>  <Cat> (1,232)
S6078

>  <Name> (1,232)
ICCB-19 hydrochloride

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Autophagy,RIP kinase

>  <Form> (1,232)
Hydrochloride

>  <CAS> (1,232)
1803605-68-6

>  <URL> (1,232)
http://www.selleckchem.com/products/iccb-19-hydrochloride.html

$$$$

csChFnd80/02252511162D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.4000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.2593    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0998    7.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    7.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8269    8.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5269    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3145    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9909    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2593    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9747    4.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 22  2  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,233)
1317

>  <Formula> (1,233)
C16H23Cl2N3O2S

>  <MolWeight> (1,233)
392.34372

>  <Cat> (1,233)
S6214

>  <Name> (1,233)
H-1152 dihydrochloride

>  <Synonyms> (1,233)
H-1152 2HCl

>  <Target> (1,233)
Aurora Kinase,CaMK,PKA,PKC,PKG,ROCK

>  <Form> (1,233)
Dihydrochloride

>  <CAS> (1,233)
871543-07-6

>  <URL> (1,233)
http://www.selleckchem.com/products/h-1152-dihydrochloride.html

$$$$

csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    2.6899    7.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    5.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502    5.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    6.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0593    7.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,234)
1318

>  <Formula> (1,234)
C20H21N5

>  <MolWeight> (1,234)
331.41424

>  <Cat> (1,234)
S6383

>  <Name> (1,234)
1-NM-PP1

>  <Synonyms> (1,234)
PP1 Analog II, 1NM-PP1

>  <Target> (1,234)
Bcr-Abl,CaMK,CDK,Src

>  <Form> (1,234)
Free Base

>  <CAS> (1,234)
221244-14-0

>  <URL> (1,234)
http://www.selleckchem.com/products/1-nm-pp1.html

$$$$

csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  5 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,235)
1319

>  <Formula> (1,235)
C14H21N3O

>  <MolWeight> (1,235)
247.33604

>  <Cat> (1,235)
S6390

>  <Name> (1,235)
Y-27632

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
ROCK

>  <Form> (1,235)
Free Base

>  <CAS> (1,235)
146986-50-7

>  <URL> (1,235)
https://www.selleckchem.com/products/y-27632-rock.html

$$$$

csChFnd80/02252511162D

 43 47  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 36 37  1  0  0  0  0
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M  END
>  <Mol_ID> (1,236)
1320

>  <Formula> (1,236)
C32H32F3N5O2S

>  <MolWeight> (1,236)
607.6889896

>  <Cat> (1,236)
S6515

>  <Name> (1,236)
ALW II-41-27

>  <Synonyms> (1,236)
N/A

>  <Target> (1,236)
Ephrin receptor

>  <Form> (1,236)
Free Base

>  <CAS> (1,236)
1186206-79-0

>  <URL> (1,236)
http://www.selleckchem.com/products/alw-ii-41-27.html

$$$$

csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 21  5  1  0  0  0  0
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 22  6  1  0  0  0  0
 20 14  1  0  0  0  0
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 19  7  2  0  0  0  0
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 16  9  2  0  0  0  0
 22 10  1  0  0  0  0
 14 21  2  0  0  0  0
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 17  4  1  0  0  0  0
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 23 20  2  0  0  0  0
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M  END
>  <Mol_ID> (1,237)
1321

>  <Formula> (1,237)
C20H22N2O

>  <MolWeight> (1,237)
306.40148

>  <Cat> (1,237)
S6875

>  <Name> (1,237)
CASIN

>  <Synonyms> (1,237)
Pirl1-related Compound 2

>  <Target> (1,237)
Rho

>  <Form> (1,237)
Free Base

>  <CAS> (1,237)
425399-05-9

>  <URL> (1,237)
http://www.selleckchem.com/products/casin.html

$$$$

csChFnd80/02252511162D

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CDK

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Free Base

>  <CAS> (1,238)
2326428-25-3

>  <URL> (1,238)
http://www.selleckchem.com/products/ly3405105.html

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csChFnd80/02252511162D

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1323

>  <Formula> (1,239)
C21H16N4O

>  <MolWeight> (1,239)
340.37794

>  <Cat> (1,239)
S6930

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MK2 Inhibitor III

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MK2-IN-3

>  <Target> (1,239)
MAPKAPK2

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Free Base

>  <CAS> (1,239)
724711-21-1

>  <URL> (1,239)
http://www.selleckchem.com/products/mk2-inhibitor-iii.html

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csChFnd80/02252511162D

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1324

>  <Formula> (1,240)
C20H11Cl2NO4

>  <MolWeight> (1,240)
400.21164

>  <Cat> (1,240)
S6953

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GW406108X

>  <Synonyms> (1,240)
GW108X

>  <Target> (1,240)
Kinesin

>  <Form> (1,240)
Free Base

>  <CAS> (1,240)
1644443-92-4

>  <URL> (1,240)
http://www.selleckchem.com/products/gw406108x.html

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>  <Formula> (1,241)
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2231744-29-7

>  <URL> (1,241)
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M  END
>  <Mol_ID> (1,242)
1326

>  <Formula> (1,242)
C26H26ClN3O4

>  <MolWeight> (1,242)
479.95534

>  <Cat> (1,242)
S7647

>  <Name> (1,242)
Lucitanib (E3810) hydrochloride

>  <Synonyms> (1,242)
AL3810

>  <Target> (1,242)
FGFR,VEGFR

>  <Form> (1,242)
Hydrochloride

>  <CAS> (1,242)
1058137-23-7

>  <URL> (1,242)
http://www.selleckchem.com/products/lucitanib.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,243)
1327

>  <Formula> (1,243)
C26H25F2N7O6S2

>  <MolWeight> (1,243)
633.6468064

>  <Cat> (1,243)
S7837

>  <Name> (1,243)
Centrinone (LCR-263)

>  <Target> (1,243)
PLK

>  <Form> (1,243)
Free Base

>  <CAS> (1,243)
1798871-30-3

>  <URL> (1,243)
http://www.selleckchem.com/products/centrinone.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,244)
1328

>  <Formula> (1,244)
C18H19F2N5O4

>  <MolWeight> (1,244)
407.3713664

>  <Cat> (1,244)
S8668

>  <Name> (1,244)
Inavolisib (GDC-0077)

>  <Synonyms> (1,244)
RG6114, RO-7113755

>  <Target> (1,244)
PI3K

>  <Form> (1,244)
Free Base

>  <CAS> (1,244)
2060571-02-8

>  <URL> (1,244)
http://www.selleckchem.com/products/gdc-0077.html

$$$$

csChFnd80/02252511162D

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2519823-34-6

>  <URL> (1,245)
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2222094-18-8

>  <URL> (1,246)
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>  <Formula> (1,247)
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>  <URL> (1,247)
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>  <Synonyms> (1,248)
N/A

>  <Target> (1,248)
Casein Kinase,p38 MAPK

>  <Form> (1,248)
Free Base

>  <CAS> (1,248)
1784751-18-3

>  <URL> (1,248)
http://www.selleckchem.com/products/ta-01.html

$$$$

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>  <Mol_ID> (1,249)
1334

>  <Formula> (1,249)
C29H35ClFN7O3

>  <MolWeight> (1,249)
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>  <Name> (1,249)
Sunvozertinib

>  <Synonyms> (1,249)
DZD9008

>  <Target> (1,249)
EGFR

>  <Form> (1,249)
Free Base

>  <CAS> (1,249)
2370013-49-1

>  <URL> (1,249)
http://www.selleckchem.com/products/dzd9008.html

$$$$

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>  <Formula> (1,250)
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>  <Synonyms> (1,250)
N/A

>  <Target> (1,250)
PERK

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Free Base

>  <CAS> (1,250)
324759-76-4

>  <URL> (1,250)
http://www.selleckchem.com/products/cct020312.html

$$$$

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>  <Formula> (1,251)
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>  <Target> (1,251)
AMPK

>  <Form> (1,251)
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>  <CAS> (1,251)
1394371-71-1

>  <URL> (1,251)
http://www.selleckchem.com/products/mk-8722.html

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M  END
>  <Mol_ID> (1,252)
1337

>  <Formula> (1,252)
C25H29N7O2

>  <MolWeight> (1,252)
459.54346

>  <Cat> (1,252)
S0726

>  <Name> (1,252)
XMD8-85 (ERK5-IN-1)

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
ERK,LRRK2

>  <Form> (1,252)
Free Base

>  <CAS> (1,252)
1234479-76-5

>  <URL> (1,252)
http://www.selleckchem.com/products/xmd-8-85.html

$$$$

csChFnd80/02252511162D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,253)
1338

>  <Formula> (1,253)
C19H15F3O5

>  <MolWeight> (1,253)
380.3146096

>  <Cat> (1,253)
S3462

>  <Name> (1,253)
PS210

>  <Synonyms> (1,253)
N/A

>  <Target> (1,253)
PDPK1

>  <Form> (1,253)
Free Base

>  <CAS> (1,253)
1221962-86-2

>  <URL> (1,253)
http://www.selleckchem.com/products/ps210.html

$$$$

csChFnd80/02252511162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,254)
1339

>  <Formula> (1,254)
C21H22N4O4

>  <MolWeight> (1,254)
394.42378

>  <Cat> (1,254)
S5989

>  <Name> (1,254)
SKI-178

>  <Synonyms> (1,254)
N/A

>  <Target> (1,254)
SPHK

>  <Form> (1,254)
Free Base

>  <CAS> (1,254)
1259484-97-3

>  <URL> (1,254)
http://www.selleckchem.com/products/ski-178.html

$$$$

csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,255)
1340

>  <Formula> (1,255)
C25H24N2O2

>  <MolWeight> (1,255)
384.47026

>  <Cat> (1,255)
S6177

>  <Name> (1,255)
CP 43

>  <Synonyms> (1,255)
Compound 43, TAO Kinase inhibitor 1, TAOK inhibitor 43,

>  <Target> (1,255)
ERK

>  <Form> (1,255)
Free Base

>  <CAS> (1,255)
850467-66-2

>  <URL> (1,255)
http://www.selleckchem.com/products/cp-43.html

$$$$

csChFnd80/02252511162D

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 30 31  2  0  0  0  0
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 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,256)
1341

>  <Formula> (1,256)
C26H36N6O2

>  <MolWeight> (1,256)
464.60304

>  <Cat> (1,256)
S6386

>  <Name> (1,256)
MRT67307

>  <Synonyms> (1,256)
IKK¦Å/TBK1 Inhibitor II

>  <Target> (1,256)
I¦ÊB/IKK,TBK1,ULK

>  <Form> (1,256)
Free Base

>  <CAS> (1,256)
1190378-57-4

>  <URL> (1,256)
http://www.selleckchem.com/products/mrt67307.html

$$$$

csChFnd80/02252511162D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  8 21  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,257)
1342

>  <Formula> (1,257)
C17H13NaO4

>  <MolWeight> (1,257)
304.27249

>  <Cat> (1,257)
S6396

>  <Name> (1,257)
HOIPIN-1

>  <Synonyms> (1,257)
JTP-0819958, HOIP inhibitor-1

>  <Target> (1,257)
Others

>  <Form> (1,257)
Free Base

>  <URL> (1,257)
http://www.selleckchem.com/products/hoipin-1.html

$$$$

csChFnd80/02252511162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
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 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,258)
1343

>  <Formula> (1,258)
C27H23FN4O4S

>  <MolWeight> (1,258)
518.5593232

>  <Cat> (1,258)
S6764

>  <Name> (1,258)
Pamufetinib (TAS-115)

>  <Synonyms> (1,258)
N/A

>  <Target> (1,258)
c-Met,VEGFR

>  <Form> (1,258)
Free Base

>  <CAS> (1,258)
1190836-34-0

>  <URL> (1,258)
http://www.selleckchem.com/products/tas-115.html

$$$$

csChFnd80/02252511162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,259)
1344

>  <Formula> (1,259)
C21H31N7O

>  <MolWeight> (1,259)
397.51714

>  <Cat> (1,259)
S7371

>  <Name> (1,259)
Fadraciclib (CYC065)

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
CDK

>  <Form> (1,259)
Free Base

>  <CAS> (1,259)
1070790-89-4

>  <URL> (1,259)
http://www.selleckchem.com/products/fadraciclib.html

$$$$

csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,260)
1345

>  <Formula> (1,260)
C17H15BrN4O2S

>  <MolWeight> (1,260)
419.2956

>  <Cat> (1,260)
S9850

>  <Name> (1,260)
(E/Z)-GO289

>  <Synonyms> (1,260)
N/A

>  <Target> (1,260)
Casein Kinase

>  <Form> (1,260)
Free Base

>  <CAS> (1,260)
694522-87-7

>  <URL> (1,260)
http://www.selleckchem.com/products/e-z-go289.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,261)
1346

>  <Formula> (1,261)
C27H20ClN3O2

>  <MolWeight> (1,261)
453.9196

>  <Cat> (1,261)
E0047

>  <Name> (1,261)
Vodobatinib (K0706)

>  <Synonyms> (1,261)
SCO-088, SUN K706, SUN-K0706

>  <Target> (1,261)
Bcr-Abl

>  <Form> (1,261)
Free Base

>  <CAS> (1,261)
1388803-90-4

>  <URL> (1,261)
http://www.selleckchem.com/products/vodobatinib.html

$$$$

csChFnd80/02252511162D

 35 38  0  0  0  0  0  0  0  0999 V2000
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1347

>  <Formula> (1,262)
C27H27N5O3

>  <MolWeight> (1,262)
469.53498

>  <Cat> (1,262)
E0050

>  <Name> (1,262)
Seralutinib (GB002)

>  <Synonyms> (1,262)
PK10571

>  <Target> (1,262)
PDGFR

>  <Form> (1,262)
Free Base

>  <CAS> (1,262)
1619931-27-9

>  <URL> (1,262)
http://www.selleckchem.com/products/seralutinib-pk10571.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,263)
1348

>  <Formula> (1,263)
C16H11N3O2

>  <MolWeight> (1,263)
277.27744

>  <Cat> (1,263)
E0072

>  <Name> (1,263)
Indirubin-3¡ä-oxime

>  <Synonyms> (1,263)
IDR3O, I3O

>  <Target> (1,263)
CDK,GSK-3,JNK,Wnt/beta-catenin

>  <Form> (1,263)
Free Base

>  <CAS> (1,263)
667463-82-3

>  <URL> (1,263)
http://www.selleckchem.com/products/indirubin-3-oxime.html

$$$$

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M  END
>  <Mol_ID> (1,264)
1349

>  <Formula> (1,264)
C19H21ClN6O

>  <MolWeight> (1,264)
384.86264

>  <Cat> (1,264)
S8571

>  <Name> (1,264)
BTK IN-1

>  <Synonyms> (1,264)
SNS062 analog

>  <Target> (1,264)
BTK

>  <Form> (1,264)
free base

>  <CAS> (1,264)
1270014-40-8

>  <URL> (1,264)
http://www.selleckchem.com/products/btk-in-1.html

$$$$

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>  <Mol_ID> (1,265)
1351

>  <Formula> (1,265)
C29H33ClN6

>  <MolWeight> (1,265)
501.06552

>  <Cat> (1,265)
S9892

>  <Name> (1,265)
HM43239

>  <Synonyms> (1,265)
N/A

>  <Target> (1,265)
FLT3

>  <Form> (1,265)
free base

>  <CAS> (1,265)
2569527-64-4

>  <URL> (1,265)
http://www.selleckchem.com/products/hm43239.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,266)
1352

>  <Formula> (1,266)
C29H29F3N8O

>  <MolWeight> (1,266)
562.5887696

>  <Cat> (1,266)
S9973

>  <Name> (1,266)
Flumatinib (HH-GV-678)

>  <Synonyms> (1,266)
HH-GV678

>  <Target> (1,266)
Bcr-Abl,c-Kit,PDGFR

>  <Form> (1,266)
free base

>  <CAS> (1,266)
895519-90-1

>  <URL> (1,266)
http://www.selleckchem.com/products/flumatinib-hh-gv-678.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,267)
1353

>  <Formula> (1,267)
C15H12N2O2

>  <MolWeight> (1,267)
252.26798

>  <Cat> (1,267)
E0334

>  <Name> (1,267)
BAMB-4

>  <Synonyms> (1,267)
N/A

>  <Target> (1,267)
Calcium Channel

>  <Form> (1,267)
free base

>  <CAS> (1,267)
891025-25-5

>  <URL> (1,267)
http://www.selleckchem.com/products/bamb-4.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,268)
1354

>  <Formula> (1,268)
C16H15BrN2O3

>  <MolWeight> (1,268)
363.2059

>  <Cat> (1,268)
S0179

>  <Name> (1,268)
mTOR inhibitor-1

>  <Target> (1,268)
mTOR

>  <Form> (1,268)
free base

>  <CAS> (1,268)
468747-17-3

>  <URL> (1,268)
http://www.selleckchem.com/products/mtor-inhibitor-1.html

$$$$

csChFnd80/02252511162D

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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  2 10  2  0  0  0  0
 12 13  2  0  0  0  0
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 12 16  1  0  0  0  0
 11 12  1  0  0  0  0
  3 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,269)
1355

>  <Formula> (1,269)
C13H9NOS

>  <MolWeight> (1,269)
227.28166

>  <Cat> (1,269)
S0291

>  <Name> (1,269)
SU5208

>  <Synonyms> (1,269)
3-[(Thien-2-yl)methylene]-2-indolinone

>  <Target> (1,269)
VEGFR

>  <Form> (1,269)
free base

>  <CAS> (1,269)
62540-08-3

>  <URL> (1,269)
http://www.selleckchem.com/products/su5208.html

$$$$

csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.6924    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8834    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5856    5.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    7.7543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6710    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4585    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9226    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2137    4.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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  7 21  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,270)
1357

>  <Formula> (1,270)
C19H20FN5O

>  <MolWeight> (1,270)
353.3934032

>  <Cat> (1,270)
S0387

>  <Name> (1,270)
SB 242235

>  <Synonyms> (1,270)
N/A

>  <Target> (1,270)
p38 MAPK

>  <Form> (1,270)
free base

>  <CAS> (1,270)
193746-75-7

>  <URL> (1,270)
http://www.selleckchem.com/products/sb-242235.html

$$$$

csChFnd80/02252511162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.1812    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,271)
1358

>  <Formula> (1,271)
C9H8N2O

>  <MolWeight> (1,271)
160.17262

>  <Cat> (1,271)
S0388

>  <Name> (1,271)
SD169

>  <Synonyms> (1,271)
5-Carbamoylindole

>  <Target> (1,271)
p38 MAPK

>  <Form> (1,271)
free base

>  <CAS> (1,271)
1670-87-7

>  <URL> (1,271)
http://www.selleckchem.com/products/sd169.html

$$$$

csChFnd80/02252511162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.1785    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    2.2264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    7.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6355    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015    4.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1104    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,272)
1359

>  <Formula> (1,272)
C16H10FN3O2

>  <MolWeight> (1,272)
295.2679032

>  <Cat> (1,272)
S0550

>  <Name> (1,272)
5'-Fluoroindirubinoxime

>  <Synonyms> (1,272)
5'-FIO, compound 13

>  <Target> (1,272)
FLT3

>  <Form> (1,272)
free base

>  <CAS> (1,272)
861214-33-7

>  <URL> (1,272)
http://www.selleckchem.com/products/5-fluoroindirubinoxime.html

$$$$

csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  8  9  2  0  0  0  0
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 11 16  1  0  0  0  0
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 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
  7 13  1  0  0  0  0
  2  7  1  6  0  0  0
M  END
>  <Mol_ID> (1,273)
1360

>  <Formula> (1,273)
C19H26ClN7O

>  <MolWeight> (1,273)
403.90904

>  <Cat> (1,273)
S0734

>  <Name> (1,273)
Aminopurvalanol A

>  <Synonyms> (1,273)
N/A

>  <Target> (1,273)
CDK

>  <Form> (1,273)
free base

>  <CAS> (1,273)
220792-57-4

>  <URL> (1,273)
http://www.selleckchem.com/products/aminopurvalanol-a.html

$$$$

csChFnd80/02252511162D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8496    8.3997    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  1  9  1  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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  6 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,274)
1361

>  <Formula> (1,274)
C17H13BrClF2IN2O2

>  <MolWeight> (1,274)
557.5555964

>  <Cat> (1,274)
S0739

>  <Name> (1,274)
PD184161

>  <Target> (1,274)
MEK

>  <Form> (1,274)
free base

>  <CAS> (1,274)
212631-67-9

>  <URL> (1,274)
http://www.selleckchem.com/products/pd184161.html

$$$$

csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  9 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,275)
1362

>  <Formula> (1,275)
C16H14N2O2

>  <MolWeight> (1,275)
266.29456

>  <Cat> (1,275)
S0763

>  <Name> (1,275)
Tyrphostin AG1433

>  <Synonyms> (1,275)
SU1433, AG1433

>  <Target> (1,275)
PDGFR,VEGFR

>  <Form> (1,275)
free base

>  <CAS> (1,275)
168835-90-3

>  <URL> (1,275)
http://www.selleckchem.com/products/tyrphostin-ag1433.html

$$$$

csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
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 14 22  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  1  0  0  0  0
  8 24  1  0  0  0  0
 26 27  1  0  0  0  0
  7 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,276)
1363

>  <Formula> (1,276)
C20H22N2O5

>  <MolWeight> (1,276)
370.39908

>  <Cat> (1,276)
S0848

>  <Name> (1,276)
GAK inhibitor 49

>  <Synonyms> (1,276)
N/A

>  <Target> (1,276)
Serine/threonin kinase

>  <Form> (1,276)
free base

>  <CAS> (1,276)
319492-82-5

>  <URL> (1,276)
http://www.selleckchem.com/products/gak-inhibitor-49.html

$$$$

csChFnd80/02252511162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0  0  0  0
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 15 19  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  2  0  0  0  0
  7  9  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,277)
1365

>  <Formula> (1,277)
C17H20N4O2

>  <MolWeight> (1,277)
312.3663

>  <Cat> (1,277)
S0888

>  <Name> (1,277)
Rsva 405

>  <Synonyms> (1,277)
N/A

>  <Target> (1,277)
AMPK

>  <Form> (1,277)
free base

>  <CAS> (1,277)
140405-36-3

>  <URL> (1,277)
http://www.selleckchem.com/products/rsva-405.html

$$$$

csChFnd80/02252511162D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,278)
1366

>  <Formula> (1,278)
C27H34F3N7O3

>  <MolWeight> (1,278)
561.5991696

>  <Cat> (1,278)
S1239

>  <Name> (1,278)
TAK-960

>  <Target> (1,278)
PLK

>  <Form> (1,278)
free base

>  <CAS> (1,278)
1137868-52-0

>  <URL> (1,278)
http://www.selleckchem.com/products/tak-960.html

$$$$

csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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1351758-81-0

>  <URL> (1,280)
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1442684-77-6

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csChFnd80/02252511162D

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321688-88-4

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790186-68-4

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>  <Formula> (1,284)
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free base

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937270-47-8

>  <URL> (1,284)
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1637735-84-2

>  <URL> (1,285)
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330572-32-2

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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,287)
1375

>  <Formula> (1,287)
C19H23N9O2

>  <MolWeight> (1,287)
409.44502

>  <Cat> (1,287)
E0338

>  <Name> (1,287)
AKI603

>  <Target> (1,287)
Aurora Kinase

>  <Form> (1,287)
free base

>  <CAS> (1,287)
1432515-73-5

>  <URL> (1,287)
http://www.selleckchem.com/products/aki603.html

$$$$

csChFnd80/02252511162D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,288)
1376

>  <Formula> (1,288)
C25H20F3N5O2

>  <MolWeight> (1,288)
479.4538096

>  <Cat> (1,288)
E0340

>  <Name> (1,288)
CSF1R-IN-1

>  <Synonyms> (1,288)
N/A

>  <Target> (1,288)
CSF-1R

>  <Form> (1,288)
free base

>  <CAS> (1,288)
2095849-04-8

>  <URL> (1,288)
http://www.selleckchem.com/products/csf1r-in-1.html

$$$$

csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (1,289)
1377

>  <Formula> (1,289)
C23H20N4O3

>  <MolWeight> (1,289)
400.4299

>  <Cat> (1,289)
E0342

>  <Name> (1,289)
Aurora kinase Inhibitor II

>  <Target> (1,289)
Aurora Kinase

>  <Form> (1,289)
free base

>  <CAS> (1,289)
331770-21-9

>  <URL> (1,289)
http://www.selleckchem.com/products/aurora-kinase-inhibitor-ii.html

$$$$

csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 27 29  2  0  0  0  0
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M  END
>  <Mol_ID> (1,290)
1378

>  <Formula> (1,290)
C23H21N3O3

>  <MolWeight> (1,290)
387.43114

>  <Cat> (1,290)
E0344

>  <Name> (1,290)
ErbB2 inhibitor

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
EGFR

>  <Form> (1,290)
free base

>  <CAS> (1,290)
179248-61-4

>  <URL> (1,290)
http://www.selleckchem.com/products/erbb2-inhibitor.html

$$$$

csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5495    3.3125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,291)
1379

>  <Formula> (1,291)
C21H17ClF6N2O2

>  <MolWeight> (1,291)
478.8152992

>  <Cat> (1,291)
E0345

>  <Name> (1,291)
CCG-100602

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
Rho

>  <Form> (1,291)
free base

>  <CAS> (1,291)
1207113-88-9

>  <URL> (1,291)
http://www.selleckchem.com/products/ccg-100602.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,292)
1380

>  <Formula> (1,292)
C14H10N2O

>  <MolWeight> (1,292)
222.242

>  <Cat> (1,292)
E0381

>  <Name> (1,292)
(E/Z)-GSK-3¦Â inhibitor 1

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
GSK-3

>  <Form> (1,292)
free base

>  <CAS> (1,292)
3367-88-2

>  <URL> (1,292)
http://www.selleckchem.com/products/e-z-gsk-3beta-inhibitor-1.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,293)
1381

>  <Formula> (1,293)
C13H7ClF2INO2

>  <MolWeight> (1,293)
409.5544564

>  <Cat> (1,293)
E0404

>  <Name> (1,293)
Zapnometinib (PD0184264)

>  <Synonyms> (1,293)
ATR-002

>  <Target> (1,293)
MEK

>  <Form> (1,293)
free base

>  <CAS> (1,293)
303175-44-2

>  <URL> (1,293)
http://www.selleckchem.com/products/zapnometinib-pd0184264.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,294)
1382

>  <Formula> (1,294)
C16H10BrN3O2

>  <MolWeight> (1,294)
356.1735

>  <Cat> (1,294)
E0474

>  <Name> (1,294)
7BIO

>  <Synonyms> (1,294)
7-bromoindirubin-3-oxime

>  <Target> (1,294)
CDK,GSK-3

>  <Form> (1,294)
free base

>  <CAS> (1,294)
916440-85-2

>  <URL> (1,294)
http://www.selleckchem.com/products/7bio.html

$$$$

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1383

>  <Formula> (1,295)
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>  <MolWeight> (1,295)
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>  <Cat> (1,295)
E0482

>  <Name> (1,295)
MP-A08

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
S1P Receptor

>  <Form> (1,295)
free base

>  <CAS> (1,295)
219832-49-2

>  <URL> (1,295)
http://www.selleckchem.com/products/mp-a08.html

$$$$

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>  <Mol_ID> (1,296)
1384

>  <Formula> (1,296)
C16H12O5

>  <MolWeight> (1,296)
284.26348

>  <Cat> (1,296)
E0526

>  <Name> (1,296)
sappanone A

>  <Target> (1,296)
Heme Oxygenase,NF-¦ÊB,Nrf2,p38 MAPK

>  <Form> (1,296)
free base

>  <CAS> (1,296)
102067-84-5

>  <URL> (1,296)
http://www.selleckchem.com/products/sappanone-a.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,297)
1385

>  <Formula> (1,297)
C14H10N4O3

>  <MolWeight> (1,297)
282.2542

>  <Cat> (1,297)
E0533

>  <Name> (1,297)
IRAK-4 protein kinase inhibitor 2

>  <Target> (1,297)
IRAK

>  <Form> (1,297)
free base

>  <CAS> (1,297)
301675-24-1

>  <URL> (1,297)
http://www.selleckchem.com/products/irak-4-protein-kinase-inhibitor-2.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,298)
1386

>  <Formula> (1,298)
C15H11BrN2O

>  <MolWeight> (1,298)
315.16464

>  <Cat> (1,298)
E0534

>  <Name> (1,298)
WAY-340935

>  <Synonyms> (1,298)
VEGFR2-IN-2

>  <Target> (1,298)
VEGFR

>  <Form> (1,298)
free base

>  <CAS> (1,298)
737818-56-3

>  <URL> (1,298)
http://www.selleckchem.com/products/way-340935.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,299)
1387

>  <Formula> (1,299)
C15H11ClN2OS

>  <MolWeight> (1,299)
302.77864

>  <Cat> (1,299)
E0535

>  <Name> (1,299)
WAY-303290

>  <Synonyms> (1,299)
GluR6 antagonist-1

>  <Target> (1,299)
GluR

>  <Form> (1,299)
free base

>  <CAS> (1,299)
323176-64-3

>  <URL> (1,299)
http://www.selleckchem.com/products/way-303290.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,300)
1388

>  <Formula> (1,300)
C23H18F3N5O3

>  <MolWeight> (1,300)
469.4159296

>  <Cat> (1,300)
E0614

>  <Name> (1,300)
AWL-II-38.3

>  <Target> (1,300)
Ephrin receptor

>  <Form> (1,300)
free base

>  <CAS> (1,300)
1135205-94-5

>  <URL> (1,300)
http://www.selleckchem.com/products/awl-ii-38-3.html

$$$$

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  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,301)
1389

>  <Formula> (1,301)
C13H16N2O2S

>  <MolWeight> (1,301)
264.34334

>  <Cat> (1,301)
E0626

>  <Name> (1,301)
AX 20017

>  <Target> (1,301)
Anti-infection

>  <Form> (1,301)
free base

>  <CAS> (1,301)
329221-38-7

>  <URL> (1,301)
http://www.selleckchem.com/products/ax-20017.html

$$$$

csChFnd80/02252511162D

 35 35  0  0  0  0  0  0  0  0999 V2000
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 31 32  2  0  0  0  0
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 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,302)
1390

>  <Formula> (1,302)
C24H32Cl3N7O

>  <MolWeight> (1,302)
540.91618

>  <Cat> (1,302)
E0647

>  <Name> (1,302)
(R)-CR8 trihydrochloride

>  <Target> (1,302)
CDK

>  <Form> (1,302)
Trihydrochloride

>  <CAS> (1,302)
1786438-30-9

>  <URL> (1,302)
http://www.selleckchem.com/products/r-cr8-trihydrochloride.html

$$$$

csChFnd80/02252511162D

 15 14  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
A   15
(E)
M  END
>  <Mol_ID> (1,303)
1391

>  <Formula> (1,303)
C10H10O4R

>  <MolWeight> (1,303)
194.184

>  <Cat> (1,303)
E0653

>  <Name> (1,303)
Trans-ferulic acid

>  <Target> (1,303)
AMPK

>  <Form> (1,303)
free base

>  <CAS> (1,303)
537-98-4

>  <URL> (1,303)
http://www.selleckchem.com/products/trans-ferulic-acid.html

$$$$

csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.6000    2.4248    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3000    1.2123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  1 10  1  0  0  0  0
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  7 11  1  0  0  0  0
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 18 23  1  0  0  0  0
 13 14  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,304)
1393

>  <Formula> (1,304)
C20H20BrNO2

>  <MolWeight> (1,304)
386.2823

>  <Cat> (1,304)
E0785

>  <Name> (1,304)
YS-49

>  <Target> (1,304)
Adrenergic Receptor,Akt,PI3K

>  <Form> (1,304)
free base

>  <CAS> (1,304)
132836-42-1

>  <URL> (1,304)
http://www.selleckchem.com/products/ys-49.html

$$$$

csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   10.9122    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
 10 11  2  0  0  0  0
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  7 10  1  0  0  0  0
  2  3  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1394

>  <Formula> (1,305)
C25H27NO

>  <MolWeight> (1,305)
357.48798

>  <Cat> (1,305)
E0786

>  <Name> (1,305)
N-Desmethyltamoxifen

>  <Target> (1,305)
Glucosylceramide Synthase,PKC

>  <Form> (1,305)
free base

>  <CAS> (1,305)
31750-48-8

>  <URL> (1,305)
http://www.selleckchem.com/products/n-desmethyltamoxifen.html

$$$$

csChFnd80/02252511162D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1395

>  <Formula> (1,306)
C10H12N6O

>  <MolWeight> (1,306)
232.24188

>  <Cat> (1,306)
E0790

>  <Name> (1,306)
ILK-IN-3

>  <Target> (1,306)
Integrin

>  <Form> (1,306)
free base

>  <CAS> (1,306)
6975-75-3

>  <URL> (1,306)
http://www.selleckchem.com/products/ilk-in-3.html

$$$$

csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
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csChFnd80/02252511162D

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A   42
.
M  END
>  <Mol_ID> (1,312)
1401

>  <Formula> (1,312)
C29H34N6O4RS2

>  <MolWeight> (1,312)
594.74806

>  <Cat> (1,312)
E0814

>  <Name> (1,312)
Masitinib mesylate

>  <Synonyms> (1,312)
AB-1010 mesylate

>  <Target> (1,312)
c-Kit,FAK,FGFR,PDGFR,Src

>  <Form> (1,312)
Mesylate

>  <CAS> (1,312)
1048007-93-7

>  <URL> (1,312)
https://www.selleckchem.com/products/masitinib-mesylate.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,313)
1402

>  <Formula> (1,313)
C24H18ClFN4O2

>  <MolWeight> (1,313)
448.8767232

>  <Cat> (1,313)
E0822

>  <Name> (1,313)
AST-1306

>  <Synonyms> (1,313)
Allitinib

>  <Target> (1,313)
EGFR

>  <Form> (1,313)
free base

>  <CAS> (1,313)
897383-62-9

>  <URL> (1,313)
http://www.selleckchem.com/products/ast-1306.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,314)
1403

>  <Formula> (1,314)
C21H22ClFN4O3

>  <MolWeight> (1,314)
432.8757832

>  <Cat> (1,314)
E0833

>  <Name> (1,314)
O-Demethyl-Gefitinib

>  <Target> (1,314)
EGFR

>  <Form> (1,314)
free base

>  <CAS> (1,314)
847949-49-9

>  <URL> (1,314)
http://www.selleckchem.com/products/o-demethyl-gefitinib.html

$$$$

csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,315)
1404

>  <Formula> (1,315)
C15H8Br2ClNO2

>  <MolWeight> (1,315)
429.49052

>  <Cat> (1,315)
E0934

>  <Name> (1,315)
Raf inhibitor 2

>  <Target> (1,315)
Raf

>  <Form> (1,315)
free base

>  <CAS> (1,315)
220904-99-4

>  <URL> (1,315)
http://www.selleckchem.com/products/raf-inhibitor-2.html

$$$$

csChFnd80/02252511162D

 25 26  0  0  0  0  0  0  0  0999 V2000
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439144-66-8

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2254805-62-2

>  <URL> (1,317)
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csChFnd80/02252511162D

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1309444-75-4

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M  END
>  <Mol_ID> (1,325)
1415

>  <Formula> (1,325)
C22H23ClN6O

>  <MolWeight> (1,325)
422.91062

>  <Cat> (1,325)
E2201

>  <Name> (1,325)
N-piperidine Ibrutinib hydrochloride

>  <Target> (1,325)
BTK

>  <Form> (1,325)
hydrochloride

>  <CAS> (1,325)
2231747-18-3

>  <URL> (1,325)
http://www.selleckchem.com/products/n-piperidine-ibrutinib-hydrochloride.html

$$$$

csChFnd80/02252511162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,326)
1416

>  <Formula> (1,326)
C19H20ClN5

>  <MolWeight> (1,326)
353.8486

>  <Cat> (1,326)
E2202

>  <Name> (1,326)
1-Naphthyl PP1 hydrochloride

>  <Synonyms> (1,326)
1-NA-PP 1 hydrochloride

>  <Target> (1,326)
Bcr-Abl,CaMK,CDK,Src

>  <Form> (1,326)
hydrochloride

>  <CAS> (1,326)
956025-47-1

>  <URL> (1,326)
http://www.selleckchem.com/products/1-naphthyl-pp1-hydrochloride.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,327)
1417

>  <Formula> (1,327)
C22H22N6O

>  <MolWeight> (1,327)
386.44968

>  <Cat> (1,327)
E2250

>  <Name> (1,327)
IBT6A

>  <Target> (1,327)
Others

>  <Form> (1,327)
free base

>  <CAS> (1,327)
1022150-12-4

>  <URL> (1,327)
http://www.selleckchem.com/products/ibt6a.html

$$$$

csChFnd80/02252511162D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,328)
1418

>  <Formula> (1,328)
C5H3N5O2S3

>  <MolWeight> (1,328)
261.30462

>  <Cat> (1,328)
E2252

>  <Name> (1,328)
SU3327

>  <Target> (1,328)
JNK

>  <Form> (1,328)
free base

>  <CAS> (1,328)
40045-50-9

>  <URL> (1,328)
http://www.selleckchem.com/products/su3327.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,329)
1419

>  <Formula> (1,329)
C25H28ClNO

>  <MolWeight> (1,329)
393.94892

>  <Cat> (1,329)
E2368

>  <Name> (1,329)
N-Desmethyltamoxifen hydrochloride

>  <Synonyms> (1,329)
N-Desmethyl tamoxifen HCl

>  <Target> (1,329)
PKC

>  <Form> (1,329)
hydrochloride

>  <CAS> (1,329)
15917-65-4

>  <URL> (1,329)
http://www.selleckchem.com/products/n-desmethyltamoxifen-hydrochloride.html

$$$$

csChFnd80/02252511162D

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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  2  3  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 12 16  1  0  0  0  0
  9 13  1  0  0  0  0
  4  8  1  0  0  0  0
M  CFW   7 B_NG_STER 3
M  END
>  <Mol_ID> (1,330)
1420

>  <Formula> (1,330)
C9H10N6O

>  <MolWeight> (1,330)
218.2153

>  <Cat> (1,330)
E2373

>  <Name> (1,330)
CAN508

>  <Target> (1,330)
CDK

>  <Form> (1,330)
free base

>  <CAS> (1,330)
140651-18-9

>  <URL> (1,330)
http://www.selleckchem.com/products/can508.html

$$$$

csChFnd80/02252511162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.6991    2.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9781    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9148    3.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2148    4.5588    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
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 16 23  2  0  0  0  0
 20 24  1  0  0  0  0
 15 16  1  0  0  0  0
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 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,331)
1421

>  <Formula> (1,331)
C16H16ClN3O2S2

>  <MolWeight> (1,331)
381.90014

>  <Cat> (1,331)
E2374

>  <Name> (1,331)
PI-273

>  <Target> (1,331)
Apoptosis related,PI4K

>  <Form> (1,331)
free base

>  <CAS> (1,331)
925069-34-7

>  <URL> (1,331)
http://www.selleckchem.com/products/pi-273.html

$$$$

csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.3411    4.3304    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2778    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5778    6.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2084    6.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8366    6.7964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2395    3.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3783    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  9 10  1  0  0  0  0
  2  9  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 17 24  2  0  0  0  0
 21 25  1  0  0  0  0
 16 17  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,332)
1422

>  <Formula> (1,332)
C18H16N4O2S

>  <MolWeight> (1,332)
352.41024

>  <Cat> (1,332)
E2376

>  <Name> (1,332)
KY-05009

>  <Target> (1,332)
MAP4K,Wnt/beta-catenin

>  <Form> (1,332)
free base

>  <CAS> (1,332)
1228280-29-2

>  <URL> (1,332)
http://www.selleckchem.com/products/ky-05009.html

$$$$

csChFnd80/02252511162D

 37 41  0  0  0  0  0  0  0  0999 V2000
   12.1220    6.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    5.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9082    5.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9082    4.0485    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7014    6.1482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5425    7.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7562    5.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4852    4.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  8 13  2  0  0  0  0
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M  END
>  <Mol_ID> (1,333)
1424

>  <Formula> (1,333)
C31H27IN4S

>  <MolWeight> (1,333)
614.54235

>  <Cat> (1,333)
E2384

>  <Name> (1,333)
(E)-Akt inhibitor-IV

>  <Target> (1,333)
Akt,PI3K

>  <Form> (1,333)
free base

>  <CAS> (1,333)
959841-49-7

>  <URL> (1,333)
http://www.selleckchem.com/products/-e--akt-inhibitor-iv.html

$$$$

csChFnd80/02252511162D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,334)
1425

>  <Formula> (1,334)
C14H17ClN2O2

>  <MolWeight> (1,334)
280.74998

>  <Cat> (1,334)
E2385

>  <Name> (1,334)
SAR407899 hydrochloride

>  <Target> (1,334)
Rho

>  <Form> (1,334)
hydrochloride

>  <CAS> (1,334)
923262-96-8

>  <URL> (1,334)
http://www.selleckchem.com/products/sar407899-hydrochloride.html

$$$$

csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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PKR

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free base

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1628428-01-2

>  <URL> (1,335)
http://www.selleckchem.com/products/pkr-in-2.html

$$$$

csChFnd80/02252511162D

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1427

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C15H13N3O6

>  <MolWeight> (1,336)
331.28022

>  <Cat> (1,336)
E2390

>  <Name> (1,336)
Thalidomide-5-NH2-CH2-COOH

>  <Target> (1,336)
Trk receptor

>  <Form> (1,336)
free base

>  <CAS> (1,336)
2412056-27-8

>  <URL> (1,336)
http://www.selleckchem.com/products/thalidomide-5-nh2-ch2-cooh.html

$$$$

csChFnd80/02252511162D

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1428

>  <Formula> (1,337)
C18H16FN3O2

>  <MolWeight> (1,337)
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E2393

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JNJ-10198409

>  <Target> (1,337)
PDGFR

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free base

>  <CAS> (1,337)
627518-40-5

>  <URL> (1,337)
http://www.selleckchem.com/products/jnj-10198409.html

$$$$

csChFnd80/02252511162D

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1429

>  <Formula> (1,338)
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STK16-IN-1

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Serine/threonin kinase

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free base

>  <CAS> (1,338)
1223001-53-3

>  <URL> (1,338)
http://www.selleckchem.com/products/stk16-in-1.html

$$$$

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A   46
.
M  END
>  <Mol_ID> (1,339)
1430

>  <Formula> (1,339)
C31H31N5O6RS3

>  <MolWeight> (1,339)
665.80274

>  <Cat> (1,339)
E2402

>  <Name> (1,339)
T-1101 tosylate

>  <Synonyms> (1,339)
TAI-95 tosylate

>  <Target> (1,339)
Microtubule Associated

>  <Form> (1,339)
tosylate

>  <CAS> (1,339)
2250404-95-4

>  <URL> (1,339)
http://www.selleckchem.com/products/t-1101-tosylate.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,340)
1431

>  <Formula> (1,340)
C27H23F2N7O3

>  <MolWeight> (1,340)
531.5134264

>  <Cat> (1,340)
E2505

>  <Name> (1,340)
TBAP-001

>  <Synonyms> (1,340)
Synthesis 13

>  <Target> (1,340)
Raf

>  <Form> (1,340)
free base

>  <CAS> (1,340)
1777832-90-2

>  <URL> (1,340)
http://www.selleckchem.com/products/tbap-001.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,341)
1432

>  <Formula> (1,341)
C12H14Cl2N2O2S

>  <MolWeight> (1,341)
321.22276

>  <Cat> (1,341)
E2506

>  <Name> (1,341)
A-3 hydrochloride

>  <Target> (1,341)
Casein Kinase,MLCK,PKA,PKC

>  <Form> (1,341)
hydrochloride

>  <CAS> (1,341)
78957-85-4

>  <URL> (1,341)
http://www.selleckchem.com/products/a-3-hydrochloride.html

$$$$

csChFnd80/02252511162D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,342)
1433

>  <Formula> (1,342)
C13H13ClN2O2S

>  <MolWeight> (1,342)
296.77252

>  <Cat> (1,342)
E2509

>  <Name> (1,342)
WAY-297848

>  <Target> (1,342)
Carbohydrate Metabolism

>  <Form> (1,342)
free base

>  <CAS> (1,342)
404360-27-6

>  <URL> (1,342)
http://www.selleckchem.com/products/way-297848.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,343)
1434

>  <Formula> (1,343)
C16H13FO4

>  <MolWeight> (1,343)
288.2704232

>  <Cat> (1,343)
E2510

>  <Name> (1,343)
WAY-301398

>  <Synonyms> (1,343)
6-methoxynaphthalene

>  <Target> (1,343)
PKC

>  <Form> (1,343)
free base

>  <CAS> (1,343)
312607-68-4

>  <URL> (1,343)
http://www.selleckchem.com/products/way-301398.html

$$$$

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M  END
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1436

>  <Formula> (1,344)
C15H15N3O2S

>  <MolWeight> (1,344)
301.3635

>  <Cat> (1,344)
E2518

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WAY-297342

>  <Target> (1,344)
Others

>  <Form> (1,344)
free base

>  <CAS> (1,344)
298207-49-5

>  <URL> (1,344)
http://www.selleckchem.com/products/way-297342.html

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csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,345)
1437

>  <Formula> (1,345)
C17H15N3O2S

>  <MolWeight> (1,345)
325.3849

>  <Cat> (1,345)
E2519

>  <Name> (1,345)
WAY-624704

>  <Target> (1,345)
ROCK

>  <Form> (1,345)
free base

>  <CAS> (1,345)
692869-38-8

>  <URL> (1,345)
http://www.selleckchem.com/products/way-624704.html

$$$$
>  <Mol_ID> (1,346)
1438

>  <Cat> (1,346)
E2548

>  <Name> (1,346)
N-(p-Coumaroyl) Serotonin

>  <Synonyms> (1,346)
p-coumaroylserotonin

>  <Target> (1,346)
PDGFR

>  <Form> (1,346)
free base

>  <CAS> (1,346)
68573-24-0

>  <URL> (1,346)
http://www.selleckchem.com/products/n--p-coumaroyl--serotonin.html

$$$$

csChFnd80/02252511162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,347)
1439

>  <Formula> (1,347)
C16H12FN3S

>  <MolWeight> (1,347)
297.3499832

>  <Cat> (1,347)
E2630

>  <Name> (1,347)
SKF-86002

>  <Target> (1,347)
Interleukins,p38 MAPK,TNF-alpha

>  <Form> (1,347)
free base

>  <CAS> (1,347)
72873-74-6

>  <URL> (1,347)
http://www.selleckchem.com/products/skf-86002.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,348)
1440

>  <Formula> (1,348)
C20H16ClN5O2

>  <MolWeight> (1,348)
393.82634

>  <Cat> (1,348)
E2640

>  <Name> (1,348)
M2N12

>  <Target> (1,348)
CDK

>  <Form> (1,348)
free base

>  <CAS> (1,348)
2376577-06-7

>  <URL> (1,348)
http://www.selleckchem.com/products/m2n12.html

$$$$

csChFnd80/02252511162D

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>  <Formula> (1,349)
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>  <MolWeight> (1,349)
355.82142

>  <Cat> (1,349)
E2642

>  <Name> (1,349)
CGP60474

>  <Target> (1,349)
CDK

>  <Form> (1,349)
free base

>  <CAS> (1,349)
164658-13-3

>  <URL> (1,349)
http://www.selleckchem.com/products/cgp60474.html

$$$$

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    5.7709    9.1304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3786    8.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8092   10.2630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496   11.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496   12.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619   13.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744   12.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744   11.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619   10.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6991    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 19 27  1  0  0  0  0
 22 27  1  0  0  0  0
 14 26  1  0  0  0  0
 12 13  1  0  0  0  0
  7 28  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 34  1  0  0  0  0
 29 34  2  0  0  0  0
 32 35  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,354)
1446

>  <Formula> (1,354)
C26H19ClN8

>  <MolWeight> (1,354)
478.93566

>  <Cat> (1,354)
E2651

>  <Name> (1,354)
Raf inhibitor 1

>  <Target> (1,354)
Raf

>  <Form> (1,354)
free base

>  <CAS> (1,354)
1093100-40-3

>  <URL> (1,354)
http://www.selleckchem.com/products/raf-inhibitor-1.html

$$$$

csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.7916    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    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  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
  9  4  2  0  0  0  0
  6  3  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
  7 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,355)
1447

>  <Formula> (1,355)
C9H7Br4N3

>  <MolWeight> (1,355)
476.78798

>  <Cat> (1,355)
E2659

>  <Name> (1,355)
DMAT

>  <Target> (1,355)
Casein Kinase

>  <Form> (1,355)
free base

>  <CAS> (1,355)
749234-11-5

>  <URL> (1,355)
http://www.selleckchem.com/products/dmat.html

$$$$

csChFnd80/02252511162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.7974    5.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8434    3.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638    5.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    5.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9528    7.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0816    3.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057    3.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3947    5.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2785    4.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4200    6.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1266    8.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1277    1.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4361    3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1519    5.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3786    7.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3659    1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2393    3.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    3.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551    5.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    7.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    3.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5341    5.0817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709    7.2267    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6823    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6501    0.0000    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
  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
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 23  1  0  0  0  0
 24 27  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,356)
1448

>  <Formula> (1,356)
C23H14Na2O6

>  <MolWeight> (1,356)
432.3332

>  <Cat> (1,356)
E2660

>  <Name> (1,356)
Pamoic acid disodium

>  <Target> (1,356)
ERK,GPR

>  <Form> (1,356)
disodium salt

>  <CAS> (1,356)
6640-22-8

>  <URL> (1,356)
http://www.selleckchem.com/products/pamoic-acid-disodium.html

$$$$

csChFnd80/02252511162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.7999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2744    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4868    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    2.8001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  6  0  0  0
  9 10  1  0  0  0  0
  2  9  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 13 18  1  6  0  0  0
 17 20  1  6  0  0  0
 15 21  1  6  0  0  0
 16 22  1  1  0  0  0
 11 14  1  0  0  0  0
  6 11  1  6  0  0  0
  5 23  1  1  0  0  0
M  END
>  <Mol_ID> (1,357)
1449

>  <Formula> (1,357)
C12H24N2O9

>  <MolWeight> (1,357)
340.32696

>  <Cat> (1,357)
E2661

>  <Name> (1,357)
Chitosan oligosaccharide

>  <Synonyms> (1,357)
COS

>  <Target> (1,357)
AMPK,NF-¦ÊB,p38 MAPK

>  <Form> (1,357)
free base

>  <CAS> (1,357)
148411-57-8

>  <URL> (1,357)
http://www.selleckchem.com/products/chitosan-oligosaccharide.html

$$$$

csChFnd80/02252511162D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7916    2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687    3.5967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    3.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8640    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4013    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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
  9  1  2  0  0  0  0
  6  2  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 10  1  0  0  0  0
  8 13  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,358)
1450

>  <Formula> (1,358)
C9H4Cl2O2S

>  <MolWeight> (1,358)
247.09786

>  <Cat> (1,358)
E2663

>  <Name> (1,358)
BT2

>  <Target> (1,358)
Bcl-2

>  <Form> (1,358)
free base

>  <CAS> (1,358)
34576-94-8

>  <URL> (1,358)
http://www.selleckchem.com/products/bt2.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.6138    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    4.3777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0914    0.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    4.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    5.5104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2894    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7853    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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475-25-2

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 11 13  2  0  0  0  0
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 20 21  1  0  0  0  0
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 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,364)
1456

>  <Formula> (1,364)
C25H26FN5O2

>  <MolWeight> (1,364)
447.5046432

>  <Cat> (1,364)
E2838

>  <Name> (1,364)
M7583

>  <Target> (1,364)
BTK

>  <Form> (1,364)
free base

>  <CAS> (1,364)
1415823-49-2

>  <URL> (1,364)
http://www.selleckchem.com/products/tl-895.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,365)
1457

>  <Formula> (1,365)
C38H74N18O10

>  <MolWeight> (1,365)
943.10876

>  <Cat> (1,365)
P1153

>  <Name> (1,365)
PKG inhibitor peptide

>  <Target> (1,365)
PKG

>  <Form> (1,365)
free base

>  <CAS> (1,365)
82801-73-8

>  <URL> (1,365)
http://www.selleckchem.com/products/pkg-inhibitor-peptide.html

$$$$

csChFnd80/02252511162D

 85 84  0  0  0  0  0  0  0  0999 V2000
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   44.8616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4365    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <MolWeight> (1,366)
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>  <Name> (1,366)
PKI 14-22 amide,myristoylated

>  <Target> (1,366)
PKA

>  <Form> (1,366)
free base

>  <CAS> (1,366)
201422-03-9

>  <URL> (1,366)
http://www.selleckchem.com/products/pki-14-22-amide-myristoylated.html

$$$$
>  <Mol_ID> (1,367)
1459

>  <Cat> (1,367)
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>  <Name> (1,367)
Autocamtide 2, amide

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free base

>  <URL> (1,367)
http://www.selleckchem.com/products/autocamtide-2-amide.html

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1460

>  <Formula> (1,368)
C37H65N9O13

>  <MolWeight> (1,368)
843.9645

>  <Cat> (1,368)
P1160

>  <Name> (1,368)
Epsilon-V1-2

>  <Synonyms> (1,368)
¦Å-V1-2

>  <Target> (1,368)
PKC

>  <Form> (1,368)
free base

>  <CAS> (1,368)
182683-50-7

>  <URL> (1,368)
http://www.selleckchem.com/products/epsilon-v1-2.html

$$$$

csChFnd80/02252511162D

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1461

>  <Formula> (1,369)
C21H42N6O5

>  <MolWeight> (1,369)
458.59538

>  <Cat> (1,369)
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>  <Name> (1,369)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Target> (1,369)
TGF-beta/Smad

>  <Form> (1,369)
free base

>  <CAS> (1,369)
283609-79-0

>  <URL> (1,369)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (1,370)
1462

>  <Cat> (1,370)
P1167

>  <Name> (1,370)
pm26TGF-¦Â1 peptide (TFA)

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TGF-beta/Smad

>  <Form> (1,370)
free base

>  <URL> (1,370)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

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>  <Mol_ID> (1,371)
1463

>  <Formula> (1,371)
C68H109N17O22S2

>  <MolWeight> (1,371)
1580.82376

>  <Cat> (1,371)
P1218

>  <Name> (1,371)
Disitertide(P144)

>  <Target> (1,371)
PI3K,TGF-beta/Smad

>  <Form> (1,371)
free base

>  <CAS> (1,371)
272105-42-7

>  <URL> (1,371)
http://www.selleckchem.com/products/disitertide.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,372)
1464

>  <Formula> (1,372)
C20H28O3

>  <MolWeight> (1,372)
316.43452

>  <Cat> (1,372)
S0947

>  <Name> (1,372)
Cafestol

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
Apoptosis related,Immunology & Inflammation related,PI3K,ROS

>  <Form> (1,372)
free base

>  <CAS> (1,372)
469-83-0

>  <URL> (1,372)
http://www.selleckchem.com/products/cafestol.html

$$$$

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>  <MolWeight> (1,373)
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>  <Cat> (1,373)
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>  <Name> (1,373)
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>  <Target> (1,373)
Axl

>  <Form> (1,373)
free base

>  <CAS> (1,373)
1037624-75-1

>  <URL> (1,373)
http://www.selleckchem.com/products/r428.html

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1466

>  <Formula> (1,374)
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>  <MolWeight> (1,374)
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>  <Name> (1,374)
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>  <Synonyms> (1,374)
N/A

>  <Target> (1,374)
ERK

>  <Form> (1,374)
free base

>  <CAS> (1,374)
942183-80-4

>  <URL> (1,374)
http://www.selleckchem.com/products/sch772984.html

$$$$

csChFnd80/02252511162D

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1467

>  <Formula> (1,375)
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>  <MolWeight> (1,375)
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>  <Cat> (1,375)
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>  <Name> (1,375)
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>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
Raf

>  <Form> (1,375)
free base

>  <CAS> (1,375)
1269440-17-6

>  <URL> (1,375)
http://www.selleckchem.com/products/lgx818.html

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>  <Formula> (1,376)
C17H19F3N6O

>  <MolWeight> (1,376)
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>  <Name> (1,376)
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>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
JAK

>  <Form> (1,376)
free base

>  <CAS> (1,376)
1310726-60-3

>  <URL> (1,376)
http://www.selleckchem.com/products/upadacitinib.html

$$$$

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>  <Mol_ID> (1,377)
1469

>  <Formula> (1,377)
C32H30F2N4O4

>  <MolWeight> (1,377)
572.6018064

>  <Cat> (1,377)
S8381

>  <Name> (1,377)
BMS-986142

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
BTK

>  <Form> (1,377)
free base

>  <CAS> (1,377)
1643368-58-4

>  <URL> (1,377)
http://www.selleckchem.com/products/bms-986142.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,378)
1470

>  <Formula> (1,378)
C37H44N8O4

>  <MolWeight> (1,378)
664.79646

>  <Cat> (1,378)
S8421

>  <Name> (1,378)
Fenebrutinib (GDC-0853)

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
BTK

>  <Form> (1,378)
free base

>  <CAS> (1,378)
1434048-34-6

>  <URL> (1,378)
http://www.selleckchem.com/products/fenebrutinib-gdc-0853.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,379)
1471

>  <Formula> (1,379)
C26H27FN10

>  <MolWeight> (1,379)
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>  <Cat> (1,379)
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>  <Name> (1,379)
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>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
c-Kit,PDGFR

>  <Form> (1,379)
free base

>  <CAS> (1,379)
1703793-34-3

>  <URL> (1,379)
http://www.selleckchem.com/products/blu-285.html

$$$$

csChFnd80/02252511162D

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2057509-72-3

>  <URL> (1,380)
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csChFnd80/02252511162D

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C17H18N4O3S

>  <MolWeight> (1,381)
358.41482

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S8809

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MC180295

>  <Synonyms> (1,381)
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>  <Target> (1,381)
CDK

>  <Form> (1,381)
free base

>  <CAS> (1,381)
2237942-08-2

>  <URL> (1,381)
http://www.selleckchem.com/products/mc180295.html

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csChFnd80/02252511162D

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>  <Formula> (1,382)
C20H23FN4O2

>  <MolWeight> (1,382)
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S8832

>  <Name> (1,382)
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>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
BTK

>  <Form> (1,382)
free base

>  <CAS> (1,382)
1912445-55-6

>  <URL> (1,382)
http://www.selleckchem.com/products/branebrutinib.html

$$$$

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HER2

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2088323-16-2

>  <URL> (1,383)
http://www.selleckchem.com/products/tas0728.html

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1476

>  <Formula> (1,384)
C20H19D3N8O3

>  <MolWeight> (1,384)
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>  <Name> (1,384)
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>  <Synonyms> (1,384)
N/A

>  <Target> (1,384)
IFN,Interleukins,JAK

>  <Form> (1,384)
free base

>  <CAS> (1,384)
1609392-27-9

>  <URL> (1,384)
http://www.selleckchem.com/products/bms-986165.html

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1477

>  <Formula> (1,385)
C13H8Cl2N4OS

>  <MolWeight> (1,385)
339.19982

>  <Cat> (1,385)
S0006

>  <Name> (1,385)
BTdCPU

>  <Synonyms> (1,385)
N/A

>  <Target> (1,385)
PERK

>  <Form> (1,385)
Free base

>  <CAS> (1,385)
1257423-87-2

>  <URL> (1,385)
http://www.selleckchem.com/products/btdcpu.html

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>  <Mol_ID> (1,386)
1478

>  <Formula> (1,386)
C11H8N2O4

>  <MolWeight> (1,386)
232.19222

>  <Cat> (1,386)
S7614

>  <Name> (1,386)
MHY-1685

>  <Target> (1,386)
mTOR

>  <Form> (1,386)
Free base

>  <CAS> (1,386)
27406-31-1

>  <URL> (1,386)
http://www.selleckchem.com/products/mhy-1685.html

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1479

>  <Formula> (1,387)
C19H21ClF3N5O2

>  <MolWeight> (1,387)
443.8505496

>  <Cat> (1,387)
S7682

>  <Name> (1,387)
SAR405

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
Autophagy,PI3K

>  <Form> (1,387)
Free base

>  <CAS> (1,387)
1523406-39-4

>  <URL> (1,387)
http://www.selleckchem.com/products/sar405.html

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>  <Formula> (1,388)
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>  <MolWeight> (1,388)
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>  <Cat> (1,388)
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Free base

>  <CAS> (1,388)
879487-87-3

>  <URL> (1,388)
http://www.selleckchem.com/products/r-268712.html

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C19H15ClN4O2

>  <MolWeight> (1,389)
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>  <Cat> (1,389)
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>  <Name> (1,389)
MLN120B

>  <Synonyms> (1,389)
ML120B

>  <Target> (1,389)
I¦ÊB/IKK

>  <Form> (1,389)
Free base

>  <CAS> (1,389)
783348-36-7

>  <URL> (1,389)
http://www.selleckchem.com/products/mln120b.html

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>  <Mol_ID> (1,390)
1482

>  <Formula> (1,390)
C36H56O8

>  <MolWeight> (1,390)
616.82504

>  <Cat> (1,390)
S7791

>  <Name> (1,390)
Phorbol 12-myristate 13-acetate (PMA)

>  <Synonyms> (1,390)
12-O-Tetradecanoylphorbol-13-acetate,TPA, Phorbol myristate acetate

>  <Target> (1,390)
PKC,S1P Receptor

>  <Form> (1,390)
Free base

>  <CAS> (1,390)
16561-29-8

>  <URL> (1,390)
http://www.selleckchem.com/products/phorbol-12-myristate-13-acetate.html

$$$$

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1483

>  <Formula> (1,391)
C25H17F3N4O3

>  <MolWeight> (1,391)
478.4226896

>  <Cat> (1,391)
S7926

>  <Name> (1,391)
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>  <Synonyms> (1,391)
Beigene-283

>  <Target> (1,391)
EGFR,Raf

>  <Form> (1,391)
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>  <CAS> (1,391)
1446090-79-4

>  <URL> (1,391)
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PKC

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Free base

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120685-11-2

>  <URL> (1,392)
http://www.selleckchem.com/products/midostaurin-pkc412.html

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MAPKAPK2,TNF-alpha

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>  <CAS> (1,393)
1276121-88-0

>  <URL> (1,393)
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PAK

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>  <CAS> (1,394)
1783816-74-9

>  <URL> (1,394)
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>  <URL> (1,395)
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EGFR,PROTAC

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2230821-27-7

>  <URL> (1,397)
http://www.selleckchem.com/products/gefitinib-based-protac-3.html

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csChFnd80/02252511162D

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1628614-50-5

>  <URL> (1,398)
http://www.selleckchem.com/products/xmd-17-51.html

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1493

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C29H30Cl2N6O2

>  <MolWeight> (1,399)
565.4935

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S0371

>  <Name> (1,399)
(1E)-CFI-400437 dihydrochloride

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
PLK

>  <Form> (1,399)
Dihydrochloride

>  <CAS> (1,399)
1247000-76-5

>  <URL> (1,399)
http://www.selleckchem.com/products/cfi-400437.html

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csChFnd80/02252511162D

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1494

>  <Formula> (1,400)
C21H18FNO7S

>  <MolWeight> (1,400)
447.4335232

>  <Cat> (1,400)
S0400

>  <Name> (1,400)
KAN0438757

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
PFKFB

>  <Form> (1,400)
Free base

>  <CAS> (1,400)
1451255-59-6

>  <URL> (1,400)
http://www.selleckchem.com/products/kan0438757.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,401)
1495

>  <Formula> (1,401)
C21H18ClFN4O4

>  <MolWeight> (1,401)
444.8434232

>  <Cat> (1,401)
S0437

>  <Name> (1,401)
SAR-20347

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
IFN,Interleukins,JAK

>  <Form> (1,401)
Free base

>  <CAS> (1,401)
1450881-55-6

>  <URL> (1,401)
http://www.selleckchem.com/products/sar-20347.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,402)
1496

>  <Formula> (1,402)
C23H27FN4O4

>  <MolWeight> (1,402)
442.4832832

>  <Cat> (1,402)
S0504

>  <Name> (1,402)
SU14813

>  <Synonyms> (1,402)
SU 014813

>  <Target> (1,402)
c-Kit,PDGFR,VEGFR

>  <Form> (1,402)
Free base

>  <CAS> (1,402)
627908-92-3

>  <URL> (1,402)
http://www.selleckchem.com/products/su14813.html

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1914078-41-3

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http://www.selleckchem.com/products/ecf506.html

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N/A

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ERK

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>  <CAS> (1,404)
2095719-92-7

>  <URL> (1,404)
http://www.selleckchem.com/products/astx-029.html

$$$$

csChFnd80/02252511162D

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>  <CAS> (1,405)
475489-16-8

>  <URL> (1,405)
http://www.selleckchem.com/products/NVP-AEW541.html

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M  END
>  <Mol_ID> (1,406)
1500

>  <Formula> (1,406)
C26H22FN7O

>  <MolWeight> (1,406)
467.4975832

>  <Cat> (1,406)
S2211

>  <Name> (1,406)
AG-13958

>  <Synonyms> (1,406)
AG-013958

>  <Target> (1,406)
VEGFR

>  <Form> (1,406)
Free base

>  <CAS> (1,406)
319460-94-1

>  <URL> (1,406)
http://www.selleckchem.com/products/ag-13958.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,407)
1501

>  <Formula> (1,407)
C27H28ClFN6O

>  <MolWeight> (1,407)
507.0022232

>  <Cat> (1,407)
S2733

>  <Name> (1,407)
AV-412 free base

>  <Synonyms> (1,407)
MP-412 free base

>  <Target> (1,407)
EGFR

>  <Form> (1,407)
Free base

>  <CAS> (1,407)
451492-95-8

>  <URL> (1,407)
http://www.selleckchem.com/products/av-412-free-base.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,408)
1502

>  <Formula> (1,408)
C23H24O8

>  <MolWeight> (1,408)
428.43186

>  <Cat> (1,408)
S2758

>  <Name> (1,408)
Wortmannin (KY 12420)

>  <Synonyms> (1,408)
SL-2052, BRN 0067676, NSC 627609

>  <Target> (1,408)
ATM/ATR,Autophagy,Autophagy,DNA-PK,PI3K,PLK

>  <Form> (1,408)
Free base

>  <CAS> (1,408)
19545-26-7

>  <URL> (1,408)
http://www.selleckchem.com/products/wortmannin.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,409)
1503

>  <Formula> (1,409)
C16H19N5O

>  <MolWeight> (1,409)
297.35496

>  <Cat> (1,409)
S3522

>  <Name> (1,409)
2OH-BNPP1

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
Serine/threonin kinase

>  <Form> (1,409)
Free base

>  <CAS> (1,409)
833481-73-5

>  <URL> (1,409)
http://www.selleckchem.com/products/2oh-bnpp1.html

$$$$

csChFnd80/02252511162D

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 31 32  2  0  0  0  0
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M  END
>  <Mol_ID> (1,410)
1504

>  <Formula> (1,410)
C23H27FN6O3

>  <MolWeight> (1,410)
454.4972832

>  <Cat> (1,410)
S3523

>  <Name> (1,410)
AZD7507

>  <Target> (1,410)
CSF-1R

>  <Form> (1,410)
Free base

>  <CAS> (1,410)
1041852-85-0

>  <URL> (1,410)
http://www.selleckchem.com/products/azd7507.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,411)
1505

>  <Formula> (1,411)
C30H41F3N8O11S3

>  <MolWeight> (1,411)
842.8837496

>  <Cat> (1,411)
S5984

>  <Name> (1,411)
AST5902  trimesylate

>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
Others

>  <Form> (1,411)
Trimesylate

>  <CAS> (1,411)
2412155-74-7

>  <URL> (1,411)
http://www.selleckchem.com/products/ast5902.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,412)
1506

>  <Formula> (1,412)
C26H22FN7O3

>  <MolWeight> (1,412)
499.4963832

>  <Cat> (1,412)
S6621

>  <Name> (1,412)
CCG215022

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
GRK

>  <Form> (1,412)
Free base

>  <CAS> (1,412)
1813527-81-9

>  <URL> (1,412)
http://www.selleckchem.com/products/ccg215022.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,413)
1507

>  <Formula> (1,413)
C28H28N6O4

>  <MolWeight> (1,413)
512.55972

>  <Cat> (1,413)
S6768

>  <Name> (1,413)
CC-671

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
CDK,MPS1

>  <Form> (1,413)
Free base

>  <CAS> (1,413)
1618658-88-0

>  <URL> (1,413)
http://www.selleckchem.com/products/cc-671.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,414)
1508

>  <Formula> (1,414)
C18H16FN3O

>  <MolWeight> (1,414)
309.3375432

>  <Cat> (1,414)
S6789

>  <Name> (1,414)
JAK Inhibitor I (Pyridone 6)

>  <Synonyms> (1,414)
CMP 6, Compound 6

>  <Target> (1,414)
JAK

>  <Form> (1,414)
Free base

>  <CAS> (1,414)
457081-03-7

>  <URL> (1,414)
http://www.selleckchem.com/products/jak-inhibitor-i.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,415)
1509

>  <Formula> (1,415)
C29H40N6O

>  <MolWeight> (1,415)
488.6675

>  <Cat> (1,415)
S6839

>  <Name> (1,415)
MRX-2843

>  <Synonyms> (1,415)
UNC2371

>  <Target> (1,415)
FLT3,Mertk

>  <Form> (1,415)
Free base

>  <CAS> (1,415)
1429882-07-4

>  <URL> (1,415)
http://www.selleckchem.com/products/mrx-2843.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,416)
1510

>  <Formula> (1,416)
C30H30F3N5O

>  <MolWeight> (1,416)
533.5873096

>  <Cat> (1,416)
S6840

>  <Name> (1,416)
OSU-T315

>  <Synonyms> (1,416)
ILK-IN-2

>  <Target> (1,416)
Integrin

>  <Form> (1,416)
Free base

>  <CAS> (1,416)
2070015-22-2

>  <URL> (1,416)
http://www.selleckchem.com/products/osu-t315.html

$$$$

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   14.5238    6.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3114    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5238    8.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3156    9.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8992   10.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9403   11.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9403   12.5787    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.1527   14.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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 27 23  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
 30 31  1  0  0  0  0
 28 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,417)
1511

>  <Formula> (1,417)
C30H28Cl2FN5O3

>  <MolWeight> (1,417)
596.4794232

>  <Cat> (1,417)
S6897

>  <Name> (1,417)
Epertinib hydrochloride

>  <Synonyms> (1,417)
Epertinib HCl, S-222611 hydrochloride, S-222611 HCl

>  <Target> (1,417)
EGFR,HER2

>  <Form> (1,417)
Hydrochloride

>  <CAS> (1,417)
2071195-74-7

>  <URL> (1,417)
http://www.selleckchem.com/products/epertinib-hydrochloride.html

$$$$

csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1193    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
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  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  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
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,418)
1512

>  <Formula> (1,418)
C21H18ClFN6O2

>  <MolWeight> (1,418)
440.8580232

>  <Cat> (1,418)
S7554

>  <Name> (1,418)
Ravoxertinib (GDC-0994)

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
ERK

>  <Form> (1,418)
Free base

>  <CAS> (1,418)
1453848-26-4

>  <URL> (1,418)
http://www.selleckchem.com/products/gdc-0994.html

$$$$

csChFnd80/02252511162D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1599    5.1674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441    5.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 F   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
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 21 26  2  0  0  0  0
  2 27  1  0  0  0  0
 24 28  1  1  0  0  0
M  END
>  <Mol_ID> (1,419)
1513

>  <Formula> (1,419)
C20H21FN6O

>  <MolWeight> (1,419)
380.4187432

>  <Cat> (1,419)
S8636

>  <Name> (1,419)
Selitrectinib (LOXO-195)

>  <Synonyms> (1,419)
BAY 2731954

>  <Target> (1,419)
Trk receptor

>  <Form> (1,419)
Free base

>  <CAS> (1,419)
2097002-61-2

>  <URL> (1,419)
http://www.selleckchem.com/products/loxo-195.html

$$$$

csChFnd80/02252511162D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 28 24  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  9 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 13 35  2  0  0  0  0
 22 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,420)
1514

>  <Formula> (1,420)
C24H24F2N8O2

>  <MolWeight> (1,420)
494.4965664

>  <Cat> (1,420)
S8708

>  <Name> (1,420)
AZD0364 (ATG-017)

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
ERK

>  <Form> (1,420)
Free base

>  <CAS> (1,420)
2097416-76-5

>  <URL> (1,420)
http://www.selleckchem.com/products/azd0364.html

$$$$

csChFnd80/02252511162D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   10.0048   13.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 32  2  0  0  0  0
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 27 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1515

>  <Formula> (1,421)
C27H32FN9O2

>  <MolWeight> (1,421)
533.6004832

>  <Cat> (1,421)
S8716

>  <Name> (1,421)
Pralsetinib (BLU-667)

>  <Synonyms> (1,421)
CS 3009, Gavreto

>  <Target> (1,421)
c-RET

>  <Form> (1,421)
Free base

>  <CAS> (1,421)
2097132-94-8

>  <URL> (1,421)
http://www.selleckchem.com/products/blu-667.html

$$$$

csChFnd80/02252511162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,422)
1516

>  <Formula> (1,422)
C22H31ClN6O

>  <MolWeight> (1,422)
430.97414

>  <Cat> (1,422)
S8722

>  <Name> (1,422)
Samuraciclib hydrochloride (ICEC0942 hydrochloride)

>  <Synonyms> (1,422)
CT7001 hydrochloride

>  <Target> (1,422)
Apoptosis related,CDK

>  <Form> (1,422)
Hydrochloride

>  <CAS> (1,422)
1805789-54-1

>  <URL> (1,422)
http://www.selleckchem.com/products/icec0942-hydrochloride.html

$$$$

csChFnd80/02252511162D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,423)
1517

>  <Formula> (1,423)
C24H26ClF2N5O2

>  <MolWeight> (1,423)
489.9453464

>  <Cat> (1,423)
S8782

>  <Name> (1,423)
LY3295668

>  <Synonyms> (1,423)
AK-01

>  <Target> (1,423)
Aurora Kinase

>  <Form> (1,423)
Free base

>  <CAS> (1,423)
1919888-06-4

>  <URL> (1,423)
http://www.selleckchem.com/products/ly3295668.html

$$$$

csChFnd80/02252511162D

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2307249-33-6

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1330782-76-7

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M  END
>  <Mol_ID> (1,428)
1522

>  <Formula> (1,428)
C27H30F3N9O

>  <MolWeight> (1,428)
553.5820096

>  <Cat> (1,428)
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>  <Name> (1,428)
BAY-985

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
I¦ÊB/IKK,TBK1

>  <Form> (1,428)
Free base

>  <CAS> (1,428)
2409479-29-2

>  <URL> (1,428)
http://www.selleckchem.com/products/bay-985.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,429)
1523

>  <Formula> (1,429)
C34H36F3NO13

>  <MolWeight> (1,429)
723.6437496

>  <Cat> (1,429)
S9522

>  <Name> (1,429)
Valrubicin

>  <Synonyms> (1,429)
AD-32

>  <Target> (1,429)
PKC

>  <Form> (1,429)
Free base

>  <CAS> (1,429)
56124-62-0

>  <URL> (1,429)
http://www.selleckchem.com/products/valrubicin.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,430)
1524

>  <Formula> (1,430)
C20H23N3O

>  <MolWeight> (1,430)
321.41612

>  <Cat> (1,430)
S9638

>  <Name> (1,430)
BRD0705

>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
GSK-3

>  <Form> (1,430)
Free base

>  <CAS> (1,430)
2056261-41-5

>  <URL> (1,430)
http://www.selleckchem.com/products/brd0705.html

$$$$

csChFnd80/02252511162D

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 11  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,431)
1525

>  <Formula> (1,431)
C16H14FN5O2

>  <MolWeight> (1,431)
327.3130632

>  <Cat> (1,431)
S9650

>  <Name> (1,431)
LY3143921 hydrate

>  <Synonyms> (1,431)
N/A

>  <Target> (1,431)
CDK

>  <Form> (1,431)
Hydrate

>  <CAS> (1,431)
1627696-53-0

>  <URL> (1,431)
http://www.selleckchem.com/products/ly3143921-hydrate.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,432)
1526

>  <Formula> (1,432)
C57H73FN10O11S2

>  <MolWeight> (1,432)
1157.3783232

>  <Cat> (1,432)
S9672

>  <Name> (1,432)
PROTAC SGK3 degrader-1

>  <Synonyms> (1,432)
SGK3-PROTAC1

>  <Target> (1,432)
PROTAC,SGK

>  <Form> (1,432)
Free base

>  <CAS> (1,432)
2381320-35-8

>  <URL> (1,432)
http://www.selleckchem.com/products/protac-sgk3-degrader-1.html

$$$$

csChFnd80/02252511162D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,433)
1528

>  <Formula> (1,433)
C22H21F4N5O3

>  <MolWeight> (1,433)
479.4274528

>  <Cat> (1,433)
S9825

>  <Name> (1,433)
Pirtobrutinib (LOXO-305)

>  <Synonyms> (1,433)
LY 3527727, RXC-005

>  <Target> (1,433)
BTK

>  <Form> (1,433)
Free base

>  <CAS> (1,433)
2101700-15-4

>  <URL> (1,433)
http://www.selleckchem.com/products/pirtobrutinib-loxo-305.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,434)
1529

>  <Formula> (1,434)
C16H27Cl2N5

>  <MolWeight> (1,434)
360.32508

>  <Cat> (1,434)
S9901

>  <Name> (1,434)
KB-0742 Dihydrochloride

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
CDK

>  <Form> (1,434)
Dihydrochloride

>  <CAS> (1,434)
2416874-75-2

>  <URL> (1,434)
http://www.selleckchem.com/products/kb-0742-dihydrochloride.html

$$$$

csChFnd80/02252511162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,435)
1531

>  <Formula> (1,435)
C26H25N5O3

>  <MolWeight> (1,435)
455.5084

>  <Cat> (1,435)
E0041

>  <Name> (1,435)
Tolebrutinib (SAR442168)

>  <Synonyms> (1,435)
PRN2246

>  <Target> (1,435)
BTK

>  <Form> (1,435)
Free base

>  <CAS> (1,435)
1971920-73-6

>  <URL> (1,435)
http://www.selleckchem.com/products/tolebrutinib-sar442168.html

$$$$

csChFnd80/02252511162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,436)
1532

>  <Formula> (1,436)
C28H25F2N3OS

>  <MolWeight> (1,436)
489.5794064

>  <Cat> (1,436)
E0082

>  <Name> (1,436)
R59949

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
Others

>  <Form> (1,436)
Free base

>  <CAS> (1,436)
120166-69-0

>  <URL> (1,436)
http://www.selleckchem.com/products/r59949.html

$$$$

csChFnd80/02252511162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,437)
1533

>  <Formula> (1,437)
C23H19F3N4O3

>  <MolWeight> (1,437)
456.4171696

>  <Cat> (1,437)
E0114

>  <Name> (1,437)
Dilmapimod (SB-681323)

>  <Synonyms> (1,437)
GW 681323

>  <Target> (1,437)
p38 MAPK

>  <Form> (1,437)
Free base

>  <CAS> (1,437)
444606-18-2

>  <URL> (1,437)
http://www.selleckchem.com/products/dilmapimod-sb-681323.html

$$$$

csChFnd80/02252511162D

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1534

>  <Formula> (1,438)
C20H22ClFN6O2

>  <MolWeight> (1,438)
432.8790832

>  <Cat> (1,438)
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>  <Name> (1,438)
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>  <Synonyms> (1,438)
INCB-50465, IBI376

>  <Target> (1,438)
PI3K

>  <Form> (1,438)
Free base

>  <CAS> (1,438)
1426698-88-5

>  <URL> (1,438)
http://www.selleckchem.com/products/parsaclisib-incb050465.html

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>  <Formula> (1,439)
C29H25FN4O5

>  <MolWeight> (1,439)
528.5310032

>  <Cat> (1,439)
E0142

>  <Name> (1,439)
XL092

>  <Synonyms> (1,439)
JUN04542

>  <Target> (1,439)
Axl,c-Met,Mertk,VEGFR

>  <Form> (1,439)
Free base

>  <CAS> (1,439)
2367004-54-2

>  <URL> (1,439)
http://www.selleckchem.com/products/xl092.html

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1537

>  <Formula> (1,440)
C33H38N8O4S

>  <MolWeight> (1,440)
642.77102

>  <Cat> (1,440)
E0499

>  <Name> (1,440)
4SC-203

>  <Synonyms> (1,440)
SC 71710

>  <Target> (1,440)
VEGFR

>  <Form> (1,440)
Free base

>  <CAS> (1,440)
895533-09-2

>  <URL> (1,440)
http://www.selleckchem.com/products/4sc-203.html

$$$$

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>  <Formula> (1,441)
C27H21N3O3

>  <MolWeight> (1,441)
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>  <Cat> (1,441)
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>  <Synonyms> (1,441)
CS2164

>  <Target> (1,441)
Aurora Kinase,c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (1,441)
Free base

>  <CAS> (1,441)
1256349-48-0

>  <URL> (1,441)
http://www.selleckchem.com/products/chiauranib.html

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1811510-58-3

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1394121-05-1

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BTK inhibitor 1

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Free base

>  <CAS> (1,450)
1412418-47-3

>  <URL> (1,450)
http://www.selleckchem.com/products/-rac--ibt6a.html

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FLT3-IN-2

>  <Target> (1,451)
FLT3

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Free base

>  <CAS> (1,451)
923562-23-6

>  <URL> (1,451)
http://www.selleckchem.com/products/flt3-in-2.html

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>  <Formula> (1,452)
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>  <Cat> (1,452)
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TGF-beta/Smad

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>  <CAS> (1,452)
2763602-67-9

>  <URL> (1,452)
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   12.1242    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  2  0  0  0  0
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  7  8  1  0  0  0  0
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  8  9  1  0  0  0  0
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 18 22  1  0  0  0  0
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 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 24 32  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
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 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (1,453)
1550

>  <Formula> (1,453)
C34H43N7O2

>  <MolWeight> (1,453)
581.75092

>  <Cat> (1,453)
E2397

>  <Name> (1,453)
hVEGF-IN-1

>  <Target> (1,453)
VEGFR

>  <Form> (1,453)
Free base

>  <CAS> (1,453)
1637443-98-1

>  <URL> (1,453)
http://www.selleckchem.com/products/hvegf-in-1.html

$$$$

csChFnd80/02252511162D

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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  7 10  1  0  0  0  0
  9  3  1  0  0  0  0
  8  4  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 11 16  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,454)
1551

>  <Formula> (1,454)
C18H19ClFN7

>  <MolWeight> (1,454)
387.8417632

>  <Cat> (1,454)
E2399

>  <Name> (1,454)
Falnidamol

>  <Synonyms> (1,454)
BIBX1382

>  <Target> (1,454)
EGFR,p38 MAPK

>  <Form> (1,454)
Free base

>  <CAS> (1,454)
196612-93-8

>  <URL> (1,454)
http://www.selleckchem.com/products/falnidamol.html

$$$$

csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  3  0  0  0  0
 13 14  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,455)
1552

>  <Formula> (1,455)
C16H15N5

>  <MolWeight> (1,455)
277.3238

>  <Cat> (1,455)
E2401

>  <Name> (1,455)
SPP-86

>  <Target> (1,455)
Akt,Estrogen/progestogen Receptor,PI3K

>  <Form> (1,455)
Free base

>  <CAS> (1,455)
1357349-91-7

>  <URL> (1,455)
http://www.selleckchem.com/products/spp-86.html

$$$$

csChFnd80/02252511162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,456)
1553

>  <Formula> (1,456)
C23H25N7O2

>  <MolWeight> (1,456)
431.4903

>  <Cat> (1,456)
E2629

>  <Name> (1,456)
Vimseltinib

>  <Synonyms> (1,456)
DCC-3014

>  <Target> (1,456)
c-Kit,CSF-1R

>  <Form> (1,456)
Free base

>  <CAS> (1,456)
1628606-05-2

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

$$$$

csChFnd80/02252511162D

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545.6327

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RGB-286638 free base

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CDK,GSK-3,JAK,MEK,TAK1

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784210-88-4

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http://www.selleckchem.com/products/rgb-286638-free-base.html

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>  <Mol_ID> (1,463)
1560

>  <Formula> (1,463)
C21H22N4O4S2

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458.55378

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E2822

>  <Name> (1,463)
GSK2983559 active metabolite

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RIP kinase

>  <Form> (1,463)
Free base

>  <CAS> (1,463)
1423186-80-4

>  <URL> (1,463)
http://www.selleckchem.com/products/gsk2983559-active-metabolite.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,464)
1561

>  <Formula> (1,464)
C22H24N2O3

>  <MolWeight> (1,464)
364.43756

>  <Cat> (1,464)
E2823

>  <Name> (1,464)
PIK-108

>  <Target> (1,464)
PI3K

>  <Form> (1,464)
Free base

>  <CAS> (1,464)
901398-68-3

>  <URL> (1,464)
http://www.selleckchem.com/products/pik-108.html

$$$$

csChFnd80/02252511162D

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C16H11ClN6O3S

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E2834

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Hck-IN-1

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Free base

>  <CAS> (1,465)
1473404-51-1

>  <URL> (1,465)
http://www.selleckchem.com/products/hck-in-1.html

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    0.0000    1.3998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7997    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.7997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    6.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4908    5.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6678    6.7324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6678    4.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    9.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8908    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 23  2  0  0  0  0
 29 24  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 30 35  2  0  0  0  0
 21 31  1  0  0  0  0
 27 36  1  0  0  0  0
 20 25  1  0  0  0  0
  4 20  1  0  0  0  0
  5 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,466)
1563

>  <Formula> (1,466)
C26H20F3N7O

>  <MolWeight> (1,466)
503.4785096

>  <Cat> (1,466)
E2835

>  <Name> (1,466)
NVP-BHG712 isomer

>  <Target> (1,466)
Ephrin receptor

>  <Form> (1,466)
Free base

>  <CAS> (1,466)
2245892-85-5

>  <URL> (1,466)
http://www.selleckchem.com/products/nvp-bhg712-isomer.html

$$$$

csChFnd80/02252511162D

 35 38  0  0  0  0  0  0  0  0999 V2000
   15.7618    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1618    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3618    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 29 32  1  0  0  0  0
 23 26  1  0  0  0  0
 33 34  1  0  0  0  0
 21 33  1  0  0  0  0
 19 20  1  0  0  0  0
 13 19  1  0  0  0  0
 16 35  1  0  0  0  0
 12 15  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,467)
1564

>  <Formula> (1,467)
C23H28BrN7O3S

>  <MolWeight> (1,467)
562.48252

>  <Cat> (1,467)
E2836

>  <Name> (1,467)
ALK inhibitor 1

>  <Synonyms> (1,467)
compound 17

>  <Target> (1,467)
ALK,FAK,Serine/threonin kinase

>  <Form> (1,467)
Free base

>  <CAS> (1,467)
761436-81-1

>  <URL> (1,467)
http://www.selleckchem.com/products/alk-inhibitor-1.html

$$$$

csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2538    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9538    6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3538    6.8125    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   16.7538    6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3538    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3538    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    4.4674    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
   11.8538    5.6000    0.0000 N   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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,468)
1565

>  <Formula> (1,468)
C20H21F3N4O4S

>  <MolWeight> (1,468)
470.4653496

>  <Cat> (1,468)
E2837

>  <Name> (1,468)
Zabedosertib

>  <Synonyms> (1,468)
BAY 1834845

>  <Target> (1,468)
IRAK

>  <Form> (1,468)
Free base

>  <CAS> (1,468)
1931994-81-8

>  <URL> (1,468)
http://www.selleckchem.com/products/zabedosertib.html

$$$$

csChFnd80/02252511162D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.9661    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    7.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    7.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    9.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3605    9.4974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4172    6.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3661    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    0.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    3.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1998    3.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9463    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7692    2.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1763    4.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3888    5.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6012    4.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
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 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
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 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
A   35
.
M  END
>  <Mol_ID> (1,469)
1566

>  <Formula> (1,469)
C26H26N4O4R

>  <MolWeight> (1,469)
458.50904

>  <Cat> (1,469)
E2839

>  <Name> (1,469)
Bisindolylmaleimide VIII (acetate)

>  <Synonyms> (1,469)
Ro 31-7549 acetate

>  <Target> (1,469)
PKC

>  <Form> (1,469)
Acetate

>  <CAS> (1,469)
138516-31-1

>  <URL> (1,469)
http://www.selleckchem.com/products/bisindolylmaleimide-8--acetate-.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,470)
1567

>  <Formula> (1,470)
C26H26N6O3

>  <MolWeight> (1,470)
470.52304

>  <Cat> (1,470)
E2843

>  <Name> (1,470)
Poseltinib

>  <Synonyms> (1,470)
HM71224, LY3337641

>  <Target> (1,470)
BTK

>  <Form> (1,470)
Free base

>  <CAS> (1,470)
1353552-97-2

>  <URL> (1,470)
http://www.selleckchem.com/products/poseltinib.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,475)
1574

>  <Formula> (1,475)
C18H19ClFN3O2

>  <MolWeight> (1,475)
363.8137632

>  <Cat> (1,475)
E2370

>  <Name> (1,475)
CDK-IN-2

>  <Synonyms> (1,475)
CDK inhibitor II

>  <Target> (1,475)
CDK

>  <Form> (1,475)
Free base

>  <CAS> (1,475)
1269815-17-9

>  <URL> (1,475)
https://www.selleckchem.com/products/cdk-in-2.html

$$$$

csChFnd80/02252511162D

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 33 35  1  0  0  0  0
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M  END
>  <Mol_ID> (1,476)
1575

>  <Formula> (1,476)
C27H35N5O3

>  <MolWeight> (1,476)
477.5985

>  <Cat> (1,476)
E2372

>  <Name> (1,476)
p38-¦Á MAPK-IN-1

>  <Target> (1,476)
p38 MAPK

>  <Form> (1,476)
Free base

>  <CAS> (1,476)
443913-15-3

>  <URL> (1,476)
https://www.selleckchem.com/products/p38-alpha-mapk-in-1.html

$$$$

csChFnd80/02252511162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,477)
1576

>  <Formula> (1,477)
C20H13ClF2N4O4S

>  <MolWeight> (1,477)
478.8564264

>  <Cat> (1,477)
E2375

>  <Name> (1,477)
PI3K/mTOR Inhibitor-2

>  <Target> (1,477)
mTOR,PI3K

>  <Form> (1,477)
Free base

>  <CAS> (1,477)
1848242-58-9

>  <URL> (1,477)
https://www.selleckchem.com/products/pi3k-mtor-inhibitor-2.html

$$$$

csChFnd80/02252511162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,478)
1577

>  <Formula> (1,478)
C17H19Cl2N5O4S

>  <MolWeight> (1,478)
460.33486

>  <Cat> (1,478)
E2404

>  <Name> (1,478)
NVP-LCQ195

>  <Synonyms> (1,478)
LCQ-195, AT9311

>  <Target> (1,478)
CDK

>  <Form> (1,478)
Free base

>  <CAS> (1,478)
902156-99-4

>  <URL> (1,478)
https://www.selleckchem.com/products/nvp-lcq195.html

$$$$

csChFnd80/02252511162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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491839-65-7

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259870-32-1

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C20H19ClN6O

>  <MolWeight> (1,484)
394.85746

>  <Cat> (1,484)
E1435

>  <Name> (1,484)
Tinengotinib

>  <Synonyms> (1,484)
TT-00420

>  <Target> (1,484)
Aurora Kinase

>  <Form> (1,484)
free base

>  <CAS> (1,484)
2230490-29-4

>  <URL> (1,484)
https://www.selleckchem.com/products/tinengotinib.html

$$$$

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>  <Mol_ID> (1,485)
1586

>  <Formula> (1,485)
C30H30ClFN6O2

>  <MolWeight> (1,485)
561.0496032

>  <Cat> (1,485)
E1478

>  <Name> (1,485)
BDTX-1535

>  <Synonyms> (1,485)
EGFR-IN-76

>  <Target> (1,485)
EGFR

>  <Form> (1,485)
free base

>  <CAS> (1,485)
2607829-38-7

>  <URL> (1,485)
https://www.selleckchem.com/products/bdtx-1535.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,486)
1587

>  <Formula> (1,486)
C22H27ClFN5O3

>  <MolWeight> (1,486)
463.9328832

>  <Cat> (1,486)
E1495

>  <Name> (1,486)
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>  <Synonyms> (1,486)
CDK4/6-IN-6

>  <Target> (1,486)
CDK

>  <Form> (1,486)
free base

>  <CAS> (1,486)
2380321-51-5

>  <URL> (1,486)
https://www.selleckchem.com/products/pf-07220060.html

$$$$

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M  END
>  <Mol_ID> (1,487)
1588

>  <Formula> (1,487)
C34H42N4O7

>  <MolWeight> (1,487)
618.71988

>  <Cat> (1,487)
E1507

>  <Name> (1,487)
Zilurgisertib fumarate

>  <Synonyms> (1,487)
INCB-000928 fumarate, NBU-928 fumarate

>  <Target> (1,487)
ALK

>  <Form> (1,487)
Fumarate salt

>  <CAS> (1,487)
2173390-30-0

>  <URL> (1,487)
https://www.selleckchem.com/products/zilurgisertib-fumarate.html

$$$$

csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,488)
1589

>  <Formula> (1,488)
C19H17N5O

>  <MolWeight> (1,488)
331.37118

>  <Cat> (1,488)
E1509

>  <Name> (1,488)
Bezuclastinib

>  <Synonyms> (1,488)
CGT9486, PLX 9486

>  <Target> (1,488)
c-Kit

>  <Form> (1,488)
free base

>  <CAS> (1,488)
1616385-51-3

>  <URL> (1,488)
https://www.selleckchem.com/products/bezuclastinib.html

$$$$

csChFnd80/02252511162D

 34 38  0  0  1  0  0  0  0  0999 V2000
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 19  2  1  6  0  0  0
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 20  7  1  1  0  0  0
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M  END
>  <Mol_ID> (1,489)
1591

>  <Formula> (1,489)
C23H24N8O3

>  <MolWeight> (1,489)
460.48846

>  <Cat> (1,489)
E1526

>  <Name> (1,489)
Zasocitinib

>  <Synonyms> (1,489)
NDI-034858; TAK-279

>  <Target> (1,489)
JAK

>  <Form> (1,489)
free base

>  <CAS> (1,489)
2272904-53-5

>  <URL> (1,489)
https://www.selleckchem.com/products/zasocitinib.html

$$$$

csChFnd80/02252511162D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,490)
1592

>  <Formula> (1,490)
C11H13ClN2O3S

>  <MolWeight> (1,490)
288.75052

>  <Cat> (1,490)
E1575

>  <Name> (1,490)
EN450

>  <Target> (1,490)
NF-¦ÊB

>  <Form> (1,490)
free base

>  <CAS> (1,490)
793719-01-4

>  <URL> (1,490)
https://www.selleckchem.com/products/en450.html

$$$$

csChFnd80/02252511162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,491)
1593

>  <Formula> (1,491)
C27H32N6O

>  <MolWeight> (1,491)
456.58258

>  <Cat> (1,491)
E1579

>  <Name> (1,491)
UCL-TRO-1938

>  <Target> (1,491)
PI3K

>  <Form> (1,491)
free base

>  <CAS> (1,491)
2919575-27-0

>  <URL> (1,491)
https://www.selleckchem.com/products/ucl-tro-1938.html

$$$$

csChFnd80/02252511162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6372    1.4000    0.0000 O   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
   12.1244    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,492)
1594

>  <Formula> (1,492)
C13H12ClN7O

>  <MolWeight> (1,492)
317.73368

>  <Cat> (1,492)
E1605

>  <Name> (1,492)
Avotaciclib trihydrochloride

>  <Synonyms> (1,492)
BEY1107 trihydrochloride

>  <Target> (1,492)
CDK

>  <Form> (1,492)
Trihydrochloride

>  <CAS> (1,492)
1983984-01-5

>  <URL> (1,492)
https://www.selleckchem.com/products/avotaciclib-trihydrochloride.html

$$$$

csChFnd80/02252511162D

 37 40  0  0  1  0  0  0  0  0999 V2000
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    3.6372    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9120    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7678    4.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9004    5.6657    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.5907    3.7101    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.6352    4.0199    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  6  1  0  0  0  0
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  7 24  1  0  0  0  0
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 28 30  1  0  0  0  0
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 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,493)
1595

>  <Formula> (1,493)
C26H34F3N5O3

>  <MolWeight> (1,493)
521.5750696

>  <Cat> (1,493)
E1649

>  <Name> (1,493)
Exarafenib

>  <Synonyms> (1,493)
KIN-002787, KIN-2787, RAF/KIN_2787

>  <Target> (1,493)
Raf

>  <Form> (1,493)
free base

>  <CAS> (1,493)
2639957-39-2

>  <URL> (1,493)
https://www.selleckchem.com/products/exarafenib.html

$$$$

csChFnd80/02252511162D

 38 42  0  0  0  0  0  0  0  0999 V2000
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   13.3368    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4250    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
   21.6148    2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6780    3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9148    1.6291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,494)
1596

>  <Formula> (1,494)
C26H25F3N8O

>  <MolWeight> (1,494)
522.5249096

>  <Cat> (1,494)
E1651

>  <Name> (1,494)
CD532

>  <Target> (1,494)
Aurora Kinase

>  <Form> (1,494)
free base

>  <CAS> (1,494)
1639009-81-6

>  <URL> (1,494)
https://www.selleckchem.com/products/cd532.html

$$$$

csChFnd80/02252511162D

 32 36  0  0  1  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,495)
1597

>  <Formula> (1,495)
C22H20ClN5O3S

>  <MolWeight> (1,495)
469.9439

>  <Cat> (1,495)
E1657

>  <Name> (1,495)
Gamcemetinib (CC-99677)

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BMS-986371

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MAPKAPK2

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free base

>  <CAS> (1,495)
1887069-10-4

>  <URL> (1,495)
https://www.selleckchem.com/products/cc-99677.html

$$$$

csChFnd80/02252511162D

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C19H23N7O2

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E1667

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LY2880070

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Chk

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free base

>  <CAS> (1,496)
1375637-35-6

>  <URL> (1,496)
https://www.selleckchem.com/products/ly2880070.html

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C20H19FN4O3S

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414.4532632

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E1692

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BAY 2965501

>  <Target> (1,497)
Others

>  <Form> (1,497)
free base

>  <CAS> (1,497)
2732902-08-6

>  <URL> (1,497)
https://www.selleckchem.com/products/bay-2965501.html

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1600

>  <Formula> (1,498)
C19H16ClN5OS

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NF-¦ÊB

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free base

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1202764-53-1

>  <URL> (1,498)
https://www.selleckchem.com/products/b022.html

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863405-60-1

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>  <Formula> (1,500)
C26H28N8O

>  <MolWeight> (1,500)
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>  <Cat> (1,500)
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Itacnosertib (TP-0184)

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TP-0184

>  <Target> (1,500)
ALK

>  <Form> (1,500)
free base

>  <CAS> (1,500)
1628870-27-8

>  <URL> (1,500)
https://www.selleckchem.com/products/itacnosertib.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,501)
1603

>  <Formula> (1,501)
C16H15ClN4O2

>  <MolWeight> (1,501)
330.7689

>  <Cat> (1,501)
E1734

>  <Name> (1,501)
OD36

>  <Target> (1,501)
RIP kinase

>  <Form> (1,501)
free base

>  <CAS> (1,501)
1638644-62-8

>  <URL> (1,501)
https://www.selleckchem.com/products/od36.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,502)
1604

>  <Formula> (1,502)
C30H42N6O2

>  <MolWeight> (1,502)
518.69348

>  <Cat> (1,502)
E1744

>  <Name> (1,502)
UNC5293

>  <Target> (1,502)
Mertk

>  <Form> (1,502)
free base

>  <CAS> (1,502)
2226789-82-6

>  <URL> (1,502)
https://www.selleckchem.com/products/unc5293.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,503)
1605

>  <Formula> (1,503)
C26H26F3NO3

>  <MolWeight> (1,503)
457.4847496

>  <Cat> (1,503)
E2363

>  <Name> (1,503)
Etrasimod(APD334)

>  <Synonyms> (1,503)
APD334

>  <Target> (1,503)
S1P Receptor

>  <Form> (1,503)
free base

>  <CAS> (1,503)
1206123-37-6

>  <URL> (1,503)
https://www.selleckchem.com/products/apd334.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,504)
1606

>  <Formula> (1,504)
C22H25N3O5S2

>  <MolWeight> (1,504)
475.581

>  <Cat> (1,504)
E2981

>  <Name> (1,504)
PI4KIIIbeta-IN-10

>  <Target> (1,504)
PI4K

>  <Form> (1,504)
free base

>  <CAS> (1,504)
1881233-39-1

>  <URL> (1,504)
https://www.selleckchem.com/products/pi4kiiibeta-in-10.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,505)
1607

>  <Formula> (1,505)
C10H14O

>  <MolWeight> (1,505)
150.21756

>  <Cat> (1,505)
E4298

>  <Name> (1,505)
(-)-Carvone

>  <Synonyms> (1,505)
(-)-Carvone

>  <Target> (1,505)
Others

>  <Form> (1,505)
free base

>  <CAS> (1,505)
6485-40-1

>  <URL> (1,505)
https://www.selleckchem.com/products/carvone.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,506)
1608

>  <Formula> (1,506)
C26H34Cl2N7O7P

>  <MolWeight> (1,506)
658.470621

>  <Cat> (1,506)
E4474

>  <Name> (1,506)
Infigratinib Phosphate

>  <Synonyms> (1,506)
NVP-BGJ398 phosphate

>  <Target> (1,506)
FGFR

>  <Form> (1,506)
Phosphate 

>  <CAS> (1,506)
1310746-10-1

>  <URL> (1,506)
https://www.selleckchem.com/products/infigratinib-phosphate.html

$$$$

csChFnd80/02252511162D

 42 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,507)
1609

>  <Formula> (1,507)
C31H38F2N8O

>  <MolWeight> (1,507)
576.6832264

>  <Cat> (1,507)
S3575

>  <Name> (1,507)
Zandelisib

>  <Synonyms> (1,507)
ME-401; PWT-143

>  <Target> (1,507)
PI3K

>  <Form> (1,507)
free base

>  <CAS> (1,507)
1401436-95-0

>  <URL> (1,507)
https://www.selleckchem.com/products/zandelisib.html

$$$$

csChFnd80/02252511162D

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M  CFW   3 B_NG_STER 3
M  END
>  <Mol_ID> (1,508)
1610

>  <Formula> (1,508)
C24H20N4O2

>  <MolWeight> (1,508)
396.4412

>  <Cat> (1,508)
S6952

>  <Name> (1,508)
MK-28

>  <Target> (1,508)
PERK

>  <Form> (1,508)
free base

>  <CAS> (1,508)
864388-65-8

>  <URL> (1,508)
https://www.selleckchem.com/products/mk-28.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,509)
1611

>  <Formula> (1,509)
C23H14Na2O11

>  <MolWeight> (1,509)
512.3302

>  <Cat> (1,509)
S1911

>  <Name> (1,509)
Disodium Cromoglycate

>  <Synonyms> (1,509)
Gynazole ,FPL 670 (Cromolyn) Disodium,Cromolyn sodium

>  <Target> (1,509)
Calcium Channel

>  <Form> (1,509)
Disodium Salt

>  <CAS> (1,509)
15826-37-6

>  <URL> (1,509)
http://selleckchem.com/products/disodium-Cromoglycate.html

$$$$
CCT137690.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,510)
1612

>  <Formula> (1,510)
C26H31BrN8O

>  <MolWeight> (1,510)
551.48134

>  <Cat> (1,510)
S2744

>  <Name> (1,510)
CCT137690

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
Aurora Kinase

>  <Form> (1,510)
Free Base

>  <CAS> (1,510)
1095382-05-0

>  <URL> (1,510)
http://selleckchem.com/products/cct137690.html

$$$$
BLU9931.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,511)
1613

>  <Formula> (1,511)
C26H22Cl2N4O3

>  <MolWeight> (1,511)
509.38388

>  <Cat> (1,511)
S7819

>  <Name> (1,511)
BLU9931

>  <Synonyms> (1,511)
N/A

>  <Target> (1,511)
FGFR

>  <Form> (1,511)
Free Base

>  <CAS> (1,511)
1538604-68-0

>  <URL> (1,511)
http://selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,512)
1614

>  <Formula> (1,512)
C24H30ClN7O2S

>  <MolWeight> (1,512)
516.0587

>  <Cat> (1,512)
S7846

>  <Name> (1,512)
Dubermatinib(TP-0903)

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
Apoptosis related,Axl

>  <Form> (1,512)
Free Base

>  <CAS> (1,512)
1341200-45-0

>  <URL> (1,512)
http://selleckchem.com/products/tp-0903.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/02252511162D

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  1  2  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,513)
1615

>  <Formula> (1,513)
C5H6Na2O5

>  <MolWeight> (1,513)
192.07768

>  <Cat> (1,513)
S7873

>  <Name> (1,513)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (1,513)
D-¦Á-Hydroxyglutaric acid disodium

>  <Target> (1,513)
ROS

>  <Form> (1,513)
disodium salt

>  <CAS> (1,513)
103404-90-6

>  <URL> (1,513)
http://selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/02252511162D

  9  8  0  0  0  0  0  0  0  0999 V2000
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  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,514)
1616

>  <Formula> (1,514)
C6H13NO2

>  <MolWeight> (1,514)
131.17292

>  <Cat> (1,514)
S3753

>  <Name> (1,514)
L-Leucine

>  <Synonyms> (1,514)
(S)-Leucine, Leu

>  <Target> (1,514)
mTOR

>  <Form> (1,514)
free base

>  <CAS> (1,514)
61-90-5

>  <URL> (1,514)
http://selleckchem.com/products/l-leucine.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,515)
1617

>  <Formula> (1,515)
C14H27NaO5S

>  <MolWeight> (1,515)
330.41595

>  <Cat> (1,515)
S3801

>  <Name> (1,515)
Sodium Houttuyfonate

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
Anti-infection

>  <Form> (1,515)
sodium salt

>  <CAS> (1,515)
1847-58-1

>  <URL> (1,515)
http://selleckchem.com/products/sodium-houttuyfonate.html

$$$$
XL388.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,516)
1618

>  <Formula> (1,516)
C23H22FN3O4S

>  <MolWeight> (1,516)
455.5018832

>  <Cat> (1,516)
S7035

>  <Name> (1,516)
XL388

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
mTOR

>  <Form> (1,516)
free base

>  <CAS> (1,516)
1251156-08-7

>  <URL> (1,516)
http://selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.2024    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,517)
1619

>  <Formula> (1,517)
C24H27Cl2N5O

>  <MolWeight> (1,517)
472.41008

>  <Cat> (1,517)
S7306

>  <Name> (1,517)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (1,517)
BML-275 2HCl,Compound C 2HCl

>  <Target> (1,517)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (1,517)
Dihydrochloride

>  <CAS> (1,517)
1219168-18-9

>  <URL> (1,517)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
UNC2250.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,518)
1620

>  <Formula> (1,518)
C24H36N6O2

>  <MolWeight> (1,518)
440.58164

>  <Cat> (1,518)
S7342

>  <Name> (1,518)
UNC2250

>  <Synonyms> (1,518)
N/A

>  <Target> (1,518)
Mertk

>  <Form> (1,518)
Free Base

>  <CAS> (1,518)
1493694-70-4

>  <URL> (1,518)
http://selleckchem.com/products/unc2250.html

$$$$
LDN193189 HCl.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,519)
1621

>  <Formula> (1,519)
C25H23ClN6

>  <MolWeight> (1,519)
442.94332

>  <Cat> (1,519)
S7507

>  <Name> (1,519)
LDN-193189 2HCl

>  <Synonyms> (1,519)
DM-3189 2HCl

>  <Target> (1,519)
TGF-beta/Smad

>  <Form> (1,519)
Hydrochloride

>  <CAS> (1,519)
1435934-00-1

>  <URL> (1,519)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
ISRIB (trans-isomer).cdx
csChFnd80/02252511162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,520)
1622

>  <Formula> (1,520)
C22H24Cl2N2O4

>  <MolWeight> (1,520)
451.34296

>  <Cat> (1,520)
S7400

>  <Name> (1,520)
ISRIB (trans-isomer)

>  <Synonyms> (1,520)
N/A

>  <Target> (1,520)
PERK

>  <Form> (1,520)
Free Base

>  <CAS> (1,520)
1597403-47-8

>  <URL> (1,520)
http://selleckchem.com/products/isrib-trans-isomer.html

$$$$
IWP-2.cdx
csChFnd80/02252511162D

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686770-61-6

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CDK

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free base

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1169562-71-3

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1073154-85-4

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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (1,525)
1627

>  <Formula> (1,525)
C23H29FN6O

>  <MolWeight> (1,525)
424.5143632

>  <Cat> (1,525)
S7842

>  <Name> (1,525)
LY3009120

>  <Synonyms> (1,525)
DP-4978

>  <Target> (1,525)
Autophagy,Raf

>  <Form> (1,525)
Free Base

>  <CAS> (1,525)
1454682-72-4

>  <URL> (1,525)
http://selleckchem.com/products/ly3009120.html

$$$$
Dorsomorphin.cdx
csChFnd80/02252511162D

 30 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4912    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0994    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4688    6.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9014    7.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5952    8.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1626    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  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 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,526)
1628

>  <Formula> (1,526)
C24H25N5O

>  <MolWeight> (1,526)
399.4882

>  <Cat> (1,526)
S7840

>  <Name> (1,526)
Dorsomorphin (Compound C)

>  <Synonyms> (1,526)
BML-275,Compound C

>  <Target> (1,526)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (1,526)
Free Base

>  <CAS> (1,526)
866405-64-3

>  <URL> (1,526)
http://selleckchem.com/products/dorsomorphin.html

$$$$

csChFnd80/02252511162D

 29 31  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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    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5668    7.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    6.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  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
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,527)
1629

>  <Formula> (1,527)
C19H17Cl2N3O4S

>  <MolWeight> (1,527)
454.32698

>  <Cat> (1,527)
E0437

>  <Name> (1,527)
ZAP-180013

>  <Target> (1,527)
syk

>  <Form> (1,527)
free base

>  <CAS> (1,527)
873080-25-2

>  <URL> (1,527)
https://www.selleckchem.com/products/zap-180013.html

$$$$

csChFnd80/02252511162D

 38 44  0  0  0  0  0  0  0  0999 V2000
    9.4982    3.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5690    2.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1690    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0279    9.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1743   10.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1605    8.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4532   11.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1690    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    6.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5614    4.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
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 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (1,528)
1630

>  <Formula> (1,528)
C29H28ClN7O

>  <MolWeight> (1,528)
526.03192

>  <Cat> (1,528)
E1056

>  <Name> (1,528)
Opnurasib (JDQ-443)

>  <Synonyms> (1,528)
NVP-JDQ443

>  <Target> (1,528)
Ras

>  <Form> (1,528)
free base

>  <CAS> (1,528)
2653994-08-0

>  <URL> (1,528)
https://www.selleckchem.com/products/jdq443.html

$$$$

csChFnd80/02252511162D

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.8498    6.3001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6374    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,529)
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SPHK

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free base

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756875-51-1

>  <URL> (1,529)
https://www.selleckchem.com/products/k6pc-5.html

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>  <Mol_ID> (1,530)
1632

>  <Formula> (1,530)
C14H20ClNO4S2

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365.8959

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E1220

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phosphoglycerate kinase

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chlorosulfate

>  <CAS> (1,530)
2416095-06-0

>  <URL> (1,530)
https://www.selleckchem.com/products/cbr-470-1.html

$$$$

csChFnd80/02252511162D

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1633

>  <Formula> (1,531)
C24H28N4O4

>  <MolWeight> (1,531)
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>  <Name> (1,531)
Chroman 1

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ROCK

>  <Form> (1,531)
free base

>  <CAS> (1,531)
1273579-40-0

>  <URL> (1,531)
https://www.selleckchem.com/products/chroman-1.html

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csChFnd80/02252511162D

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MAP4K

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free base

>  <CAS> (1,532)
2766481-17-6

>  <URL> (1,532)
https://www.selleckchem.com/products/bgb-15025.html

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csChFnd80/02252511162D

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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,533)
1635

>  <Formula> (1,533)
C18H13FN4O2

>  <MolWeight> (1,533)
336.3198232

>  <Cat> (1,533)
E1312

>  <Name> (1,533)
DPH

>  <Target> (1,533)
Bcr-Abl

>  <Form> (1,533)
free base

>  <CAS> (1,533)
484049-04-9

>  <URL> (1,533)
https://www.selleckchem.com/products/dph.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,534)
1636

>  <Formula> (1,534)
C19H16N4O2S

>  <MolWeight> (1,534)
364.42094

>  <Cat> (1,534)
E1314

>  <Name> (1,534)
TDI-011536

>  <Target> (1,534)
LATS Inhibitor

>  <Form> (1,534)
free base

>  <CAS> (1,534)
2687970-96-1

>  <URL> (1,534)
https://www.selleckchem.com/products/tdi-011536.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,535)
1637

>  <Formula> (1,535)
C19H22F4N4O3S

>  <MolWeight> (1,535)
462.4615928

>  <Cat> (1,535)
E1328

>  <Name> (1,535)
TP-1454

>  <Target> (1,535)
PKM

>  <Form> (1,535)
free base

>  <CAS> (1,535)
2490276-04-3

>  <URL> (1,535)
https://www.selleckchem.com/products/tp-1454.html

$$$$

csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,536)
1638

>  <Formula> (1,536)
C15H15N5O2S

>  <MolWeight> (1,536)
329.3769

>  <Cat> (1,536)
E1346

>  <Name> (1,536)
HS94

>  <Synonyms> (1,536)
DAPK3 inhibitor HS94

>  <Target> (1,536)
DAPK

>  <Form> (1,536)
free base

>  <CAS> (1,536)
1892594-93-2

>  <URL> (1,536)
https://www.selleckchem.com/products/hs94.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,537)
1639

>  <Formula> (1,537)
C16H11FN2O2S

>  <MolWeight> (1,537)
314.3341432

>  <Cat> (1,537)
E1351

>  <Name> (1,537)
NF-¦Ê¦¢ activator 1

>  <Synonyms> (1,537)
Compound 32

>  <Target> (1,537)
NF-¦Ê¦¢

>  <Form> (1,537)
free base

>  <CAS> (1,537)
2387524-59-4

>  <URL> (1,537)
https://www.selleckchem.com/products/nf-kb-activator-1.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,541)
1643

>  <Formula> (1,541)
C15H10N2O

>  <MolWeight> (1,541)
234.2527

>  <Cat> (1,541)
E1391

>  <Name> (1,541)
SP 600125, negative control

>  <Synonyms> (1,541)
JNK inhibitor II, negative control

>  <Target> (1,541)
JNK

>  <Form> (1,541)
free base

>  <CAS> (1,541)
54642-23-8

>  <URL> (1,541)
https://www.selleckchem.com/products/sp-600125.html

$$$$

csChFnd80/02252511162D

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 20 22  2  0  0  0  0
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 23 24  2  0  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,542)
1644

>  <Formula> (1,542)
C25H22F3N7O4S

>  <MolWeight> (1,542)
573.5468896

>  <Cat> (1,542)
E1395

>  <Name> (1,542)
GW806742X

>  <Target> (1,542)
Mixed Lineage Kinase

>  <Form> (1,542)
free base

>  <CAS> (1,542)
579515-63-2

>  <URL> (1,542)
https://www.selleckchem.com/products/gw806742x.html

$$$$

csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.1016    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  9  1  0  0  0  0
  2 17  1  0  0  0  0
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  5 16  1  0  0  0  0
  6 20  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,543)
1645

>  <Formula> (1,543)
C16H12F2N8O

>  <MolWeight> (1,543)
370.3162864

>  <Cat> (1,543)
E1411

>  <Name> (1,543)
Tuvusertib

>  <Synonyms> (1,543)
M1774, ATR inhibitor 1

>  <Target> (1,543)
ATM/ATR

>  <Form> (1,543)
free base

>  <CAS> (1,543)
1613200-51-3

>  <URL> (1,543)
https://www.selleckchem.com/products/tuvusertib.html

$$$$

csChFnd80/02252511162D

 33 37  0  0  0  0  0  0  0  0999 V2000
   19.6655    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9655    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 14  1  0  0  0  0
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 27 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,544)
1646

>  <Formula> (1,544)
C25H21N3O5

>  <MolWeight> (1,544)
443.45134

>  <Cat> (1,544)
E1412

>  <Name> (1,544)
DEG-35

>  <Target> (1,544)
Casein Kinase

>  <Form> (1,544)
free base

>  <URL> (1,544)
https://www.selleckchem.com/products/deg-35.html

$$$$

csChFnd80/02252511162D

 33 37  0  0  0  0  0  0  0  0999 V2000
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FGFR inhibitor

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free base

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2549174-42-5

>  <URL> (1,546)
https://www.selleckchem.com/products/lirafugratinib.html

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Retinoid Receptor

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2456434-36-7

>  <URL> (1,547)
https://www.selleckchem.com/products/msu-42011.html

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ROCK

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2173556-69-7

>  <URL> (1,551)
https://www.selleckchem.com/products/pk68.html

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    3.6373    5.5999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9956    5.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0467    7.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0367    9.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7590    1.4000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    9.7590    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  6  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  6  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 36  1  1  0  0  0
 20  1  1  1  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 37  1  6  0  0  0
 23 29  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  6  0  0  0
 25 15  1  6  0  0  0
 25 28  1  0  0  0  0
 27 16  1  1  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 30 39  1  1  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  1  0  0  0  0
 34 17  1  6  0  0  0
M  END
>  <Mol_ID> (1,553)
1658

>  <Formula> (1,553)
C26H47NNaO7S

>  <MolWeight> (1,553)
540.70865

>  <Cat> (1,553)
E2411

>  <Name> (1,553)
Taurodeoxycholic acid sodium hydrate

>  <Target> (1,553)
S1PR Agonist

>  <Form> (1,553)
sodium hydrate

>  <CAS> (1,553)
110026-03-4

>  <URL> (1,553)
https://www.selleckchem.com/products/taurohyodeoxycholic-acid-sodium-salt-hydrate.html

$$$$

csChFnd80/02252511162D

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.0054    4.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5355    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9430    7.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2414    4.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716    5.0994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5717    6.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6715    5.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5715    3.8871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4588    6.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    6.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716    7.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3716    6.3116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3715    3.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239    4.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    2.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831    7.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4719    7.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6715    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    6.3116    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    5.6715    2.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3005    6.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7606    6.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1912    5.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5518    2.8257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4123    5.2708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  2 16  2  0  0  0  0
  3 18  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  1  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  1  1  1  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 27  1  1  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 28  1  6  0  0  0
 14 22  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18 23  1  0  0  0  0
 20 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,554)
1659

>  <Formula> (1,554)
C21H26BrNO4

>  <MolWeight> (1,554)
436.33944

>  <Cat> (1,554)
E2880

>  <Name> (1,554)
methylnaltrexone bromide

>  <Target> (1,554)
Opioid Receptor

>  <Form> (1,554)
bromide 

>  <CAS> (1,554)
73232-52-7

>  <URL> (1,554)
https://www.selleckchem.com/products/methylnaltrexone-bromide.html

$$$$

csChFnd80/02252511162D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    4.8499    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,555)
1660

>  <Formula> (1,555)
C3H8O2S

>  <MolWeight> (1,555)
108.15942

>  <Cat> (1,555)
E2907

>  <Name> (1,555)
1-Thioglycerol

>  <Synonyms> (1,555)
Mercaptopropanedioltech

>  <Target> (1,555)
Others

>  <Form> (1,555)
free base

>  <CAS> (1,555)
96-27-5

>  <URL> (1,555)
https://www.selleckchem.com/products/1-thioglycerol.html

$$$$

csChFnd80/02252511162D

 20 22  0  0  1  0  0  0  0  0999 V2000
    1.5229    5.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6716    2.4888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0382    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0716    4.9138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    5.2048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717    4.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3559    6.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5716    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5716    3.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6348    7.1666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9716    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9716    3.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6716    4.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    4.2680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6081    2.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.5591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3292    2.3062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3923    3.3467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 18  1  1  1  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
 19  3  1  6  0  0  0
 20  5  1  1  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 16  7  1  6  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,556)
1661

>  <Formula> (1,556)
C12H12Cl2N2O4

>  <MolWeight> (1,556)
319.14068

>  <Cat> (1,556)
E2914

>  <Name> (1,556)
5,6-Dichlorobenzimidazole 1-beta-D-ribofuranoside

>  <Synonyms> (1,556)
DRB

>  <Target> (1,556)
Casein Kinase

>  <Form> (1,556)
dichloride

>  <CAS> (1,556)
53-85-0

>  <URL> (1,556)
https://www.selleckchem.com/products/5-6-dichlorobenzimidazole-1-beta-d-ribofuranoside.html

$$$$

csChFnd80/02252511162D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.7457    1.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    4.8923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    2.9305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3781    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3781    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  3  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  CFW   3 B_NG_STER 3
M  END
>  <Mol_ID> (1,557)
1662

>  <Formula> (1,557)
C15H16ClN5

>  <MolWeight> (1,557)
301.77404

>  <Cat> (1,557)
E2932

>  <Name> (1,557)
SI-2 Hydrochloride

>  <Synonyms> (1,557)
EPH 116 Hydrochloride

>  <Target> (1,557)
Others

>  <Form> (1,557)
hydrochloride 

>  <CAS> (1,557)
1992052-49-9

>  <URL> (1,557)
https://www.selleckchem.com/products/si-2-hydrochloride.html

$$$$

csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.3000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0613    0.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8046    3.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1362    3.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3925    2.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4328    3.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4710    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0149    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0554    1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,558)
1663

>  <Formula> (1,558)
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MOMIPP

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PIKfyve

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free base

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1363421-46-8

>  <URL> (1,558)
https://www.selleckchem.com/products/momipp.html

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csChFnd80/02252511162D

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AKT

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chloride 

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334969-03-8

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https://www.selleckchem.com/products/recilisib.html

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csChFnd80/02252511162D

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>  <Mol_ID> (1,560)
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C11H9N5

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E2980

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4-AMino-1-phenylpyrazolo[3,4-d]pyriMidine

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PP 3

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EGFR

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free base

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5334-30-5

>  <URL> (1,560)
https://www.selleckchem.com/products/4-amino-1-phenylpyrazolo-3-4-d-pyrimidine.html

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csChFnd80/02252511162D

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1666

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C15H13N3O3

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S2949

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KPLH1130

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Carbohydrate Metabolism

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free base

>  <CAS> (1,561)
906669-07-6

>  <URL> (1,561)
https://www.selleckchem.com/products/kplh1130.html

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free base

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2188236-41-9

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https://www.selleckchem.com/products/aps6-45.html

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LDH

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free base

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213971-34-7

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https://www.selleckchem.com/products/fx11.html

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Aurora Kinase

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Chloride 

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1453099-83-6

>  <URL> (1,564)
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C22H22FN7O

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ROS1

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free base

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2739829-00-4

>  <URL> (1,565)
https://www.selleckchem.com/products/zidesamtinib.html

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2143917-62-6

>  <URL> (1,566)
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M  END
>  <Mol_ID> (1,568)
1673

>  <Formula> (1,568)
C32H41N9O4

>  <MolWeight> (1,568)
615.72584

>  <Cat> (1,568)
S2628

>  <Name> (1,568)
Gedatolisib (PKI-587)

>  <Synonyms> (1,568)
PF-05212384

>  <Target> (1,568)
mTOR,PI3K

>  <Form> (1,568)
Free Base

>  <CAS> (1,568)
1197160-78-3

>  <URL> (1,568)
http://selleckchem.com/products/pki587.html

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,569)
1674

>  <Formula> (1,569)
C6H13Cl2N7O3

>  <MolWeight> (1,569)
302.11852

>  <Cat> (1,569)
S2560

>  <Name> (1,569)
Amiloride HCl dihydrate

>  <Synonyms> (1,569)
MK-870 hydrochloride dihydrate

>  <Target> (1,569)
Sodium Channel

>  <Form> (1,569)
hydrochloride & dihydrate

>  <CAS> (1,569)
17440-83-4

>  <URL> (1,569)
http://selleckchem.com/products/amilorida.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/02252511162D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,570)
1675

>  <Formula> (1,570)
C25H19NO3S

>  <MolWeight> (1,570)
413.48826

>  <Cat> (1,570)
S2638

>  <Name> (1,570)
NU7441 (KU-57788)

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
CRISPR/Cas9,DNA-PK,mTOR,PI3K

>  <Form> (1,570)
free base

>  <CAS> (1,570)
503468-95-9

>  <URL> (1,570)
http://selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,571)
1676

>  <Formula> (1,571)
C15H18BrN7

>  <MolWeight> (1,571)
376.25432

>  <Cat> (1,571)
S2735

>  <Name> (1,571)
MK-8776 (SCH 900776)

>  <Synonyms> (1,571)
N/A

>  <Target> (1,571)
CDK,Chk

>  <Form> (1,571)
Free Base

>  <CAS> (1,571)
891494-63-6

>  <URL> (1,571)
http://selleckchem.com/products/sch-900776.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,572)
1677

>  <Formula> (1,572)
C6H13Li3O11

>  <MolWeight> (1,572)
281.98382

>  <Cat> (1,572)
S4519

>  <Name> (1,572)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (1,572)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (1,572)
Others

>  <Form> (1,572)
free base

>  <CAS> (1,572)
6080-58-6

>  <URL> (1,572)
http://selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
LY2109761.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,573)
1678

>  <Formula> (1,573)
C26H27N5O2

>  <MolWeight> (1,573)
441.52488

>  <Cat> (1,573)
S2704

>  <Name> (1,573)
LY2109761

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
Apoptosis related,Autophagy,TGF-beta/Smad

>  <Form> (1,573)
Free Base

>  <CAS> (1,573)
700874-71-1

>  <URL> (1,573)
http://selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,574)
1679

>  <Formula> (1,574)
C23H17FN6O

>  <MolWeight> (1,574)
412.4190832

>  <Cat> (1,574)
S2788

>  <Name> (1,574)
Capmatinib (INCB28060)

>  <Synonyms> (1,574)
INC280, NVP-INC280

>  <Target> (1,574)
Apoptosis related,c-Met,Wnt/beta-catenin

>  <Form> (1,574)
Free Base

>  <CAS> (1,574)
1029712-80-8

>  <URL> (1,574)
http://selleckchem.com/products/incb28060.html

$$$$
LY364947.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,575)
1680

>  <Formula> (1,575)
C17H12N4

>  <MolWeight> (1,575)
272.30398

>  <Cat> (1,575)
S2805

>  <Name> (1,575)
LY364947

>  <Synonyms> (1,575)
HTS 466284

>  <Target> (1,575)
Casein Kinase,Mixed Lineage Kinase,RIP kinase,TGF-beta/Smad

>  <Form> (1,575)
Free Base

>  <CAS> (1,575)
396129-53-6

>  <URL> (1,575)
http://selleckchem.com/products/ly364947.html

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>  <Mol_ID> (1,576)
1681

>  <Formula> (1,576)
C35H28F3N5O2

>  <MolWeight> (1,576)
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S2827

>  <Name> (1,576)
Torin 1

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
Autophagy,mTOR

>  <Form> (1,576)
Free Base

>  <CAS> (1,576)
1222998-36-8

>  <URL> (1,576)
http://selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,577)
1682

>  <Formula> (1,577)
C12H10N6O

>  <MolWeight> (1,577)
254.2474

>  <Cat> (1,577)
S2870

>  <Name> (1,577)
TG100713

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
PI3K

>  <Form> (1,577)
Free Base

>  <CAS> (1,577)
925705-73-3

>  <URL> (1,577)
http://selleckchem.com/products/tg-100713.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,578)
1683

>  <Formula> (1,578)
C18H32ClN3O8P2

>  <MolWeight> (1,578)
515.862502

>  <Cat> (1,578)
S4157

>  <Name> (1,578)
Chloroquine diphosphate

>  <Synonyms> (1,578)
N/A

>  <Target> (1,578)
Anti-infection,ATM/ATR,Autophagy,COVID-19,TLR

>  <Form> (1,578)
diphosphate

>  <CAS> (1,578)
50-63-5

>  <URL> (1,578)
http://selleckchem.com/products/chloroquine-phosphate.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,579)
1684

>  <Formula> (1,579)
C24H25ClFN5O3

>  <MolWeight> (1,579)
485.9384032

>  <Cat> (1,579)
S1019

>  <Name> (1,579)
Canertinib (CI-1033)

>  <Synonyms> (1,579)
PD183805

>  <Target> (1,579)
EGFR,HER2

>  <Form> (1,579)
Free Base

>  <CAS> (1,579)
267243-28-7

>  <URL> (1,579)
http://selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,580)
1685

>  <Formula> (1,580)
C31H42N6O4

>  <MolWeight> (1,580)
562.70298

>  <Cat> (1,580)
S1043

>  <Name> (1,580)
Tandutinib (MLN518)

>  <Synonyms> (1,580)
CT 53518, NSC726292, MLN518

>  <Target> (1,580)
FLT3

>  <Form> (1,580)
Free Base

>  <CAS> (1,580)
387867-13-2

>  <URL> (1,580)
http://selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,581)
1686

>  <Formula> (1,581)
C22H24BrFN4O2

>  <MolWeight> (1,581)
475.3539632

>  <Cat> (1,581)
S1046

>  <Name> (1,581)
Vandetanib (ZD6474)

>  <Synonyms> (1,581)
ZD6474

>  <Target> (1,581)
Apoptosis related,Autophagy,EGFR,ROS,VEGFR

>  <Form> (1,581)
free base

>  <CAS> (1,581)
443913-73-3

>  <URL> (1,581)
http://selleckchem.com/products/Vandetanib.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,582)
1687

>  <Formula> (1,582)
C21H46NO4P

>  <MolWeight> (1,582)
407.568001

>  <Cat> (1,582)
S3056

>  <Name> (1,582)
Miltefosine

>  <Synonyms> (1,582)
Hexadecylphosphocholine

>  <Target> (1,582)
Akt

>  <Form> (1,582)
free base

>  <CAS> (1,582)
58066-85-6

>  <URL> (1,582)
http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,583)
1688

>  <Formula> (1,583)
C17H15NO3

>  <MolWeight> (1,583)
281.3059

>  <Cat> (1,583)
S2893

>  <Name> (1,583)
NU7026

>  <Synonyms> (1,583)
LY293646

>  <Target> (1,583)
Apoptosis related,DNA-PK,PI3K

>  <Form> (1,583)
Free Base

>  <CAS> (1,583)
154447-35-5

>  <URL> (1,583)
http://selleckchem.com/products/nu7026.html

$$$$
Vinpocetine.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,584)
1689

>  <Formula> (1,584)
C22H26N2O2

>  <MolWeight> (1,584)
350.45404

>  <Cat> (1,584)
S2110

>  <Name> (1,584)
Vinpocetine

>  <Synonyms> (1,584)
RGH-4405,Ethyl apovincaminate,AY 27255

>  <Target> (1,584)
Sodium Channel

>  <Form> (1,584)
free base

>  <CAS> (1,584)
42971-09-5

>  <URL> (1,584)
http://selleckchem.com/products/vinpocetine-cavinton.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/02252511162D

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FNa2O3P

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S4013

>  <Name> (1,585)
Sodium Monofluorophosphate

>  <Synonyms> (1,585)
NSC248

>  <Target> (1,585)
phosphatase

>  <Form> (1,585)
Disodium salt

>  <CAS> (1,585)
10163-15-2

>  <URL> (1,585)
http://selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
NVP-TAE684.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,586)
1691

>  <Formula> (1,586)
C30H40ClN7O3S

>  <MolWeight> (1,586)
614.2017

>  <Cat> (1,586)
S1108

>  <Name> (1,586)
TAE684 (NVP-TAE684)

>  <Synonyms> (1,586)
N/A

>  <Target> (1,586)
ALK,Apoptosis related

>  <Form> (1,586)
Free Base

>  <CAS> (1,586)
761439-42-3

>  <URL> (1,586)
http://selleckchem.com/products/NVP-TAE684.html

$$$$
SGX-523 .cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,587)
1692

>  <Formula> (1,587)
C18H13N7S

>  <MolWeight> (1,587)
359.40772

>  <Cat> (1,587)
S1112

>  <Name> (1,587)
SGX-523

>  <Synonyms> (1,587)
N/A

>  <Target> (1,587)
c-Met

>  <Form> (1,587)
free base

>  <CAS> (1,587)
1022150-57-7

>  <URL> (1,587)
http://selleckchem.com/products/SGX-523.html

$$$$
untitled.cdx
csChFnd80/02252511162D

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>  <Mol_ID> (1,588)
1693

>  <Formula> (1,588)
C21H16N6O2S2

>  <MolWeight> (1,588)
448.52074

>  <Cat> (1,588)
S1118

>  <Name> (1,588)
XL147 analogue

>  <Synonyms> (1,588)
SAR245408

>  <Target> (1,588)
Apoptosis related,PI3K

>  <Form> (1,588)
Free Base

>  <CAS> (1,588)
956958-53-5

>  <URL> (1,588)
http://selleckchem.com/products/XL147.html

$$$$
s1023.cdx
csChFnd80/02252511162D

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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  3  0  0  0  0
 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,589)
1694

>  <Formula> (1,589)
C22H24ClN3O4

>  <MolWeight> (1,589)
429.89666

>  <Cat> (1,589)
S1023

>  <Name> (1,589)
Erlotinib (OSI-774) HCl

>  <Synonyms> (1,589)
CP358774, NSC 718781,OSI-774 HCl

>  <Target> (1,589)
Autophagy,EGFR

>  <Form> (1,589)
Hydrochloride

>  <CAS> (1,589)
183319-69-9

>  <URL> (1,589)
http://selleckchem.com/products/Erlotinib-Hydrochloride.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/02252511162D

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    1.2082    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  2 10  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  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,590)
1695

>  <Formula> (1,590)
C16H15BrClN5O4S

>  <MolWeight> (1,590)
488.7434

>  <Cat> (1,590)
S1205

>  <Name> (1,590)
PIK-75 HCl

>  <Synonyms> (1,590)
N/A

>  <Target> (1,590)
DNA-PK,PI3K

>  <Form> (1,590)
Hydrochloride

>  <CAS> (1,590)
372196-77-5

>  <URL> (1,590)
http://selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
Ellagic acid.cdx
csChFnd80/02252511162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 10 11  1  0  0  0  0
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 13  6  2  0  0  0  0
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 15 16  1  0  0  0  0
 16  1  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 19  2  0  0  0  0
  9 20  1  0  0  0  0
  8 21  1  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,591)
1696

>  <Formula> (1,591)
C14H6O8

>  <MolWeight> (1,591)
302.19264

>  <Cat> (1,591)
S1327

>  <Name> (1,591)
Ellagic acid

>  <Synonyms> (1,591)
Elagostasine, Gallogen

>  <Target> (1,591)
Topoisomerase

>  <Form> (1,591)
free base

>  <CAS> (1,591)
476-66-4

>  <URL> (1,591)
http://selleckchem.com/products/Ellagic-acid.html

$$$$
bms-707035.cdx
csChFnd80/02252511162D

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 10  5  1  0  0  0  0
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 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,592)
1697

>  <Formula> (1,592)
C18H11N3O2S

>  <MolWeight> (1,592)
333.36384

>  <Cat> (1,592)
S1360

>  <Name> (1,592)
GSK1059615

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
mTOR,PI3K

>  <Form> (1,592)
Free Base

>  <CAS> (1,592)
958852-01-2

>  <URL> (1,592)
http://selleckchem.com/products/GSK1059615.html

$$$$
CCT129202.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,593)
1698

>  <Formula> (1,593)
C23H25ClN8OS

>  <MolWeight> (1,593)
497.0156

>  <Cat> (1,593)
S1519

>  <Name> (1,593)
CCT129202

>  <Synonyms> (1,593)
N/A

>  <Target> (1,593)
Aurora Kinase

>  <Form> (1,593)
Free Base

>  <CAS> (1,593)
942947-93-5

>  <URL> (1,593)
http://selleckchem.com/products/CCT129202.html

$$$$
R 788.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,594)
1700

>  <Formula> (1,594)
C23H24FN6Na2O9P

>  <MolWeight> (1,594)
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>  <Cat> (1,594)
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>  <Name> (1,594)
Fostamatinib (R788) disodium

>  <Synonyms> (1,594)
Tamatinib Fosdium

>  <Target> (1,594)
Syk

>  <Form> (1,594)
Sodium Salt

>  <CAS> (1,594)
1025687-58-4

>  <URL> (1,594)
http://selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,595)
1701

>  <Formula> (1,595)
C42H88N14O36S3

>  <MolWeight> (1,595)
1461.41532

>  <Cat> (1,595)
S4523

>  <Name> (1,595)
Dihydrostreptomycin sulfate

>  <Synonyms> (1,595)
N/A

>  <Target> (1,595)
Antibiotics,Antibiotics for Mammalian Cell Culture,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (1,595)
Sulfate

>  <CAS> (1,595)
5490-27-7

>  <URL> (1,595)
http://selleckchem.com/products/dihydrostreptomycin-sulfate.html

$$$$
S4671 Cefradine.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,596)
1702

>  <Formula> (1,596)
C16H19N3O4S

>  <MolWeight> (1,596)
349.40476

>  <Cat> (1,596)
S4671

>  <Name> (1,596)
Cefradine

>  <Synonyms> (1,596)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (1,596)
Antibiotics

>  <Form> (1,596)
free base

>  <CAS> (1,596)
38821-53-3

>  <URL> (1,596)
http://selleckchem.com/products/cefradine.html

$$$$
STO-609.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,597)
1703

>  <Formula> (1,597)
C19H10N2O3

>  <MolWeight> (1,597)
314.2943

>  <Cat> (1,597)
S8274

>  <Name> (1,597)
STO-609

>  <Synonyms> (1,597)
N/A

>  <Target> (1,597)
AMPK,Autophagy,CaMK

>  <Form> (1,597)
free base

>  <CAS> (1,597)
52029-86-4

>  <URL> (1,597)
http://selleckchem.com/products/sto-609.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/02252511162D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,598)
1704

>  <Formula> (1,598)
C10H9NaO4

>  <MolWeight> (1,598)
216.16583

>  <Cat> (1,598)
S4740

>  <Name> (1,598)
Sodium ferulate

>  <Synonyms> (1,598)
Ferulic acid sodium salt

>  <Target> (1,598)
5-HT Receptor

>  <Form> (1,598)
Sodium salt

>  <CAS> (1,598)
24276-84-4

>  <URL> (1,598)
http://selleckchem.com/products/ferulic-acid-sodium.html

$$$$
TAK-659.cdx
csChFnd80/02252511162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,599)
1705

>  <Formula> (1,599)
C17H22ClFN6O

>  <MolWeight> (1,599)
380.8475832

>  <Cat> (1,599)
S8442

>  <Name> (1,599)
TAK-659

>  <Synonyms> (1,599)
N/A

>  <Target> (1,599)
FLT3,Syk

>  <Form> (1,599)
hydrochloride

>  <CAS> (1,599)
1952251-28-3

>  <URL> (1,599)
http://selleckchem.com/products/tak-659.html

$$$$
S3614 Lupeol.cdx
csChFnd80/02252511162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,600)
1706

>  <Formula> (1,600)
C30H50O

>  <MolWeight> (1,600)
426.7174

>  <Cat> (1,600)
S3614

>  <Name> (1,600)
Lupeol

>  <Synonyms> (1,600)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (1,600)
Immunology & Inflammation related

>  <Form> (1,600)
free base

>  <CAS> (1,600)
545-47-1

>  <URL> (1,600)
http://selleckchem.com/products/lupeol.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/02252511162D

 15 12  0  0  0  0  0  0  0  0999 V2000
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    8.3865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7492    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    0.8876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3243    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2367    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.9252    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8210    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,601)
1707

>  <Formula> (1,601)
C4H8N3Na2O5P

>  <MolWeight> (1,601)
255.076721

>  <Cat> (1,601)
S4770

>  <Name> (1,601)
Creatine phosphate disodium salt

>  <Synonyms> (1,601)
Phosphocreatine disodium salt

>  <Target> (1,601)
Others

>  <Form> (1,601)
disodium salt

>  <CAS> (1,601)
922-32-7

>  <URL> (1,601)
http://selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/02252511162D

 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
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    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (1,602)
1708

>  <Formula> (1,602)
C6H6Na3O9P

>  <MolWeight> (1,602)
322.049511

>  <Cat> (1,602)
S5115

>  <Name> (1,602)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (1,602)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (1,602)
c-Met

>  <Form> (1,602)
sodium salt

>  <CAS> (1,602)
66170-10-3

>  <URL> (1,602)
http://selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/02252511162D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.9179    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1553    4.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9179    6.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3793    4.8885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6935    7.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1579    7.0386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4783    4.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3677    2.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3793    6.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4881    6.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676    4.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9671    2.7845    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.2021    4.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146    2.8285    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  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 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
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,603)
1710

>  <Formula> (1,603)
C22H25Cl2FN4O3

>  <MolWeight> (1,603)
483.3633032

>  <Cat> (1,603)
S5098

>  <Name> (1,603)
Gefitinib hydrochloride

>  <Synonyms> (1,603)
ZD1839 hydrochloride

>  <Target> (1,603)
EGFR

>  <Form> (1,603)
hydrochloride

>  <CAS> (1,603)
184475-55-6

>  <URL> (1,603)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
bpV (HOpic).cdx
csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.5013    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    1.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    3.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2576    1.3197    0.0000 V   0  1  0  0  0  0  0  0  0  0  0  0
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    0.0000   22.7687    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
  7 12  2  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,604)
1711

>  <Formula> (1,604)
C6H4K2NO8V

>  <MolWeight> (1,604)
347.23596

>  <Cat> (1,604)
S8651

>  <Name> (1,604)
bpV (HOpic)

>  <Synonyms> (1,604)
Bisperoxovanadium (HOpic)

>  <Target> (1,604)
PTEN

>  <Form> (1,604)
potassium

>  <CAS> (1,604)
722494-26-0

>  <URL> (1,604)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/02252511162D

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2084    7.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 39  1  6  0  0  0
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 36 41  1  6  0  0  0
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M  END
>  <Mol_ID> (1,605)
1713

>  <Formula> (1,605)
C27H30O15

>  <MolWeight> (1,605)
594.5181

>  <Cat> (1,605)
S5468

>  <Name> (1,605)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (1,605)
Kaempferol 3-neohesperidoside

>  <Target> (1,605)
Others

>  <Form> (1,605)
salt

>  <CAS> (1,605)
40437-72-7

>  <URL> (1,605)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,606)
1714

>  <Formula> (1,606)
C14H8O9

>  <MolWeight> (1,606)
320.20792

>  <Cat> (1,606)
S5516

>  <Name> (1,606)
Ellagic Acid hydrate

>  <Synonyms> (1,606)
N/A

>  <Target> (1,606)
Casein Kinase

>  <Form> (1,606)
monohydrate

>  <CAS> (1,606)
314041-08-2

>  <URL> (1,606)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/02252511162D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,607)
1715

>  <Formula> (1,607)
C3H7NO3

>  <MolWeight> (1,607)
105.09258

>  <Cat> (1,607)
S5545

>  <Name> (1,607)
DL-Serine

>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
PKM

>  <Form> (1,607)
salt

>  <CAS> (1,607)
302-84-1

>  <URL> (1,607)
http://selleckchem.com/products/dl-serine.html

$$$$
S5584 Citronellol.cdx
csChFnd80/02252511162D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,608)
1716

>  <Formula> (1,608)
C10H20O

>  <MolWeight> (1,608)
156.2652

>  <Cat> (1,608)
S5584

>  <Name> (1,608)
Citronellol

>  <Synonyms> (1,608)
Dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (1,608)
Apoptosis related,Caspase,RIP kinase,ROS,TNF-alpha

>  <Form> (1,608)
free base

>  <CAS> (1,608)
106-22-9

>  <URL> (1,608)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/02252511162D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,609)
1717

>  <Formula> (1,609)
C4H9N3O2

>  <MolWeight> (1,609)
131.13316

>  <Cat> (1,609)
S5588

>  <Name> (1,609)
Creatine

>  <Synonyms> (1,609)
Methylguanidoacetic acid

>  <Target> (1,609)
IFN,JAK

>  <Form> (1,609)
free base

>  <CAS> (1,609)
57-00-1

>  <URL> (1,609)
http://selleckchem.com/products/creatine.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/02252511162D

 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
    7.4603    5.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    9.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4943    7.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0754   10.7558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815    9.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    8.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080    8.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3390    7.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    7.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889    9.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    6.9477    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.5952    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9952    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3952    1.4000    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
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 10 11  1  0  0  0  0
  8  9  1  0  0  0  0
  4 16  1  0  0  0  0
  2 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 19 27  1  0  0  0  0
 22 27  2  0  0  0  0
 20 28  2  0  0  0  0
 24 29  1  0  0  0  0
 18 21  2  0  0  0  0
  5 18  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,610)
1718

>  <Formula> (1,610)
C22H28FN4O6P

>  <MolWeight> (1,610)
494.4530842

>  <Cat> (1,610)
S5272

>  <Name> (1,610)
Toceranib phosphate

>  <Synonyms> (1,610)
Palladia, SU11654

>  <Target> (1,610)
PDGFR,VEGFR

>  <Form> (1,610)
phosphate

>  <CAS> (1,610)
874819-74-6

>  <URL> (1,610)
https://www.selleckchem.com/products/toceranib-phosphate.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/02252511162D

 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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4033    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2095    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    8.9950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9561   10.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    8.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    5.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019    3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    3.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5171    4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9477    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5553    6.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
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  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
  8 12  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37  8  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (1,611)
1719

>  <Formula> (1,611)
C30H34N8O3

>  <MolWeight> (1,611)
554.64276

>  <Cat> (1,611)
S8724

>  <Name> (1,611)
Lazertinib

>  <Synonyms> (1,611)
YH25448,GNS-1480

>  <Target> (1,611)
EGFR

>  <Form> (1,611)
free base

>  <CAS> (1,611)
1903008-80-9

>  <URL> (1,611)
http://selleckchem.com/products/lazertinib-yh25448-gns-1480.html

$$$$
S9430 Tomatidine.cdx
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,612)
1720

>  <Formula> (1,612)
C27H46ClNO2

>  <MolWeight> (1,612)
452.11264

>  <Cat> (1,612)
S9430

>  <Name> (1,612)
Tomatidine Hydrochloride

>  <Target> (1,612)
Immunology & Inflammation related

>  <Form> (1,612)
Hydrochloride

>  <CAS> (1,612)
6192-62-7

>  <URL> (1,612)
https://www.selleckchem.com/products/tomatidine.html

$$$$

csChFnd80/02252511162D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,613)
1721

>  <Formula> (1,613)
C6H6Br6

>  <MolWeight> (1,613)
557.53584

>  <Cat> (1,613)
S5902

>  <Name> (1,613)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (1,613)
NSC7908

>  <Target> (1,613)
JAK

>  <Form> (1,613)
Free Base

>  <CAS> (1,613)
1837-91-8

>  <URL> (1,613)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/02252511162D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 29  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,614)
1723

>  <Formula> (1,614)
C29H39ClN7O2P

>  <MolWeight> (1,614)
584.092421

>  <Cat> (1,614)
S8229

>  <Name> (1,614)
Brigatinib (AP26113)

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
ALK,EGFR,FLT3,IGF-1R,ROS1

>  <Form> (1,614)
Free Base

>  <CAS> (1,614)
1197953-54-0

>  <URL> (1,614)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/02252511162D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,615)
1724

>  <Formula> (1,615)
C26H34N8O

>  <MolWeight> (1,615)
474.60116

>  <Cat> (1,615)
S8568

>  <Name> (1,615)
G1T38

>  <Synonyms> (1,615)
Lerociclib

>  <Target> (1,615)
CDK

>  <Form> (1,615)
free base

>  <CAS> (1,615)
1628256-23-4

>  <URL> (1,615)
http://www.selleck.cn/products/g1t38.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,616)
1725

>  <Formula> (1,616)
C21H23N4O7PS2

>  <MolWeight> (1,616)
538.533681

>  <Cat> (1,616)
S8927

>  <Name> (1,616)
GSK2983559 (compound 3)

>  <Synonyms> (1,616)
RIP2 kinase inhibitor 1, RIPK2-IN-1

>  <Target> (1,616)
RIP kinase

>  <Form> (1,616)
Free Base

>  <CAS> (1,616)
1579965-12-0

>  <URL> (1,616)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/02252511162D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,617)
1726

>  <Formula> (1,617)
C29H28F3N5O2

>  <MolWeight> (1,617)
535.5601296

>  <Cat> (1,617)
S2213

>  <Name> (1,617)
AMG-47a

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
Src

>  <Form> (1,617)
Free Base

>  <CAS> (1,617)
882663-88-9

>  <URL> (1,617)
https://www.selleckchem.com/products/amg-47a.html

$$$$

csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,618)
1727

>  <Formula> (1,618)
C18H19NO7

>  <MolWeight> (1,618)
361.34596

>  <Cat> (1,618)
S8875

>  <Name> (1,618)
MKC8866

>  <Synonyms> (1,618)
IRE1-IN-8866

>  <Target> (1,618)
IRE1

>  <Form> (1,618)
Free Base

>  <CAS> (1,618)
1338934-59-0

>  <URL> (1,618)
http://www.selleckchem.com/products/mkc8866.html

$$$$

csChFnd80/02252511162D

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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,619)
1728

>  <Formula> (1,619)
C19H18NO4+

>  <MolWeight> (1,619)
324.35052

>  <Cat> (1,619)
S3299

>  <Name> (1,619)
Demethyleneberberine

>  <Synonyms> (1,619)
DMB

>  <Target> (1,619)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (1,619)
free base

>  <CAS> (1,619)
25459-91-0

>  <URL> (1,619)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/02252511162D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0524    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.4620    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8869    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0993    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,620)
1729

>  <Formula> (1,620)
C2H2NNaO3

>  <MolWeight> (1,620)
111.03195

>  <Cat> (1,620)
S6871

>  <Name> (1,620)
Sodium oxamate

>  <Synonyms> (1,620)
SO, oxamate sodium, Aminooxoacetic acid sodium salt, Oxamic acid sodium salt

>  <Target> (1,620)
Apoptosis related,CDK,LDH,ROS

>  <Form> (1,620)
Sodium

>  <CAS> (1,620)
565-73-1

>  <URL> (1,620)
http://www.selleckchem.com/products/sodium-oxamate.html

$$$$

csChFnd80/02252511162D

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142144  2  0  0  0  0
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M  END
>  <Mol_ID> (1,621)
1730

>  <Formula> (1,621)
C97H144FN33O19S2

>  <MolWeight> (1,621)
2159.5193632

>  <Cat> (1,621)
S9665

>  <Name> (1,621)
Motixafortide (BL-8040)

>  <Synonyms> (1,621)
BKT140, TF 14016, 4-fluorobenzoyl, 4F-benzoyl-TN14003, T140

>  <Target> (1,621)
Apoptosis related,Bcl-2,CDK,CXCR,ERK,MicroRNA

>  <Form> (1,621)
free base

>  <CAS> (1,621)
664334-36-5

>  <URL> (1,621)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/02252511162D

 12  9  0  0  0  0  0  0  0  0999 V2000
   10.7932    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0781    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2907    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4408    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6533    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  1  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,622)
1731

>  <Formula> (1,622)
C5H6Na2O5

>  <MolWeight> (1,622)
192.07768

>  <Cat> (1,622)
S1325

>  <Name> (1,622)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (1,622)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LGA, L-2HG

>  <Target> (1,622)
Histone Demethylase

>  <Form> (1,622)
Disodium

>  <CAS> (1,622)
63512-50-5

>  <URL> (1,622)
https://www.selleckchem.com/products/l-2-hydroxyglutaric-acid-disodium.html

$$$$

csChFnd80/02252511162D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 30  2  0  0  0  0
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 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (1,623)
1732

>  <Formula> (1,623)
C24H29N7O2

>  <MolWeight> (1,623)
447.53276

>  <Cat> (1,623)
S4482

>  <Name> (1,623)
Palbociclib

>  <Synonyms> (1,623)
Ibrance, PD 0332991

>  <Target> (1,623)
CDK

>  <Form> (1,623)
Free Base

>  <CAS> (1,623)
571190-30-2

>  <URL> (1,623)
http://www.selleckchem.com/products/palbociclib.html

$$$$

csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800    3.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7218    4.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    4.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7699    6.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1503    8.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 21  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,624)
1733

>  <Formula> (1,624)
C17H11Cl2N3O2

>  <MolWeight> (1,624)
360.19414

>  <Cat> (1,624)
S6085

>  <Name> (1,624)
KY19382 (A3051)

>  <Synonyms> (1,624)
N/A

>  <Target> (1,624)
GSK-3,Wnt/beta-catenin

>  <Form> (1,624)
Free Base

>  <CAS> (1,624)
2226664-93-1

>  <URL> (1,624)
http://www.selleckchem.com/products/ky19382-a3051.html

$$$$

csChFnd80/02252511162D

 34 36  0  0  0  0  0  0  0  0999 V2000
    9.4441    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2939    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2292    1.7978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0139    2.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9599    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8068    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
 14 16  1  0  0  0  0
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 18 21  2  0  0  0  0
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 20 24  2  0  0  0  0
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 22 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,625)
1734

>  <Formula> (1,625)
C25H34Cl2N6O

>  <MolWeight> (1,625)
505.48306

>  <Cat> (1,625)
S0430

>  <Name> (1,625)
MELK-8a Dihydrochloride

>  <Synonyms> (1,625)
N/A

>  <Target> (1,625)
MELK

>  <Form> (1,625)
Dihydrochloride

>  <CAS> (1,625)
1922153-17-0 (free base)

>  <URL> (1,625)
http://www.selleckchem.com/products/melk-8a-hydrochloride.html

$$$$

csChFnd80/02252511162D

 26 30  0  0  0  0  0  0  0  0999 V2000
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   10.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 24  1  0  0  0  0
  2 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,626)
1735

>  <Formula> (1,626)
C21H18NO4+

>  <MolWeight> (1,626)
348.37192

>  <Cat> (1,626)
E0124

>  <Name> (1,626)
Chelerythrine

>  <Synonyms> (1,626)
Toddaline, Broussonpapyrine

>  <Target> (1,626)
Bcl-2,PKC

>  <Form> (1,626)
Free Base

>  <CAS> (1,626)
34316-15-9

>  <URL> (1,626)
http://www.selleckchem.com/products/chelerythrine.html

$$$$

csChFnd80/02252511162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0623    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  1 11  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
  3 15  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
  7 19  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,627)
1736

>  <Formula> (1,627)
C10H8O10S3

>  <MolWeight> (1,627)
384.35952

>  <Cat> (1,627)
E2403

>  <Name> (1,627)
¦Æ-Stat (NSC37044)

>  <Target> (1,627)
PKC

>  <Form> (1,627)
free base

>  <CAS> (1,627)
3316-02-7

>  <URL> (1,627)
http://www.selleckchem.com/products/zeta-stat-nsc37044-.html

$$$$

csChFnd80/02252511162D

 35 38  0  0  0  0  0  0  0  0999 V2000
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   11.4224    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
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 29 30  2  0  0  0  0
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 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,628)
1737

>  <Formula> (1,628)
C27H26Cl2N4O2

>  <MolWeight> (1,628)
509.42694

>  <Cat> (1,628)
E2407

>  <Name> (1,628)
MK2-IN-1 hydrochloride

>  <Target> (1,628)
MAPKAPK2

>  <Form> (1,628)
hydrochloride

>  <CAS> (1,628)
1314118-94-9

>  <URL> (1,628)
http://www.selleckchem.com/products/mk2-in-1-hydrochloride-.html

$$$$

csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,629)
1740

>  <Formula> (1,629)
C18H20N2O2S

>  <MolWeight> (1,629)
328.4286

>  <Cat> (1,629)
S3406

>  <Name> (1,629)
LDN-192960

>  <Synonyms> (1,629)
N/A

>  <Target> (1,629)
DYRK,Haspin Kinase

>  <Form> (1,629)
Free base

>  <CAS> (1,629)
184582-62-5

>  <URL> (1,629)
http://www.selleckchem.com/products/ldn-192960.html

$$$$

csChFnd80/02252511162D

 42 48  0  0  0  0  0  0  0  0999 V2000
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1313407-95-2

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>  <Formula> (1,631)
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>  <MolWeight> (1,631)
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>  <Target> (1,631)
c-RET,Src

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>  <CAS> (1,631)
2359650-19-2

>  <URL> (1,631)
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TAK1

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2767422-72-8

>  <URL> (1,632)
http://www.selleckchem.com/products/hs-276.html

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>  <CAS> (1,633)
2271081-58-2

>  <URL> (1,633)
http://www.selleckchem.com/products/mark4-inhibitor-1.html

$$$$

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>  <Mol_ID> (1,634)
1745

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C15H14FN5O2S

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347.3673632

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HS148

>  <Synonyms> (1,634)
DAPK3 inhibitor HS148

>  <Target> (1,634)
DAPK

>  <Form> (1,634)
Free Base

>  <CAS> (1,634)
1892595-16-2

>  <URL> (1,634)
https://www.selleckchem.com/products/hs148.html

$$$$

csChFnd80/02252511162D

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>  <Mol_ID> (1,635)
1746

>  <Formula> (1,635)
C25H17N3O2S

>  <MolWeight> (1,635)
423.48638

>  <Cat> (1,635)
E1484

>  <Name> (1,635)
PDS-0330

>  <Target> (1,635)
Others

>  <Form> (1,635)
free base

>  <CAS> (1,635)
2904682-19-3

>  <URL> (1,635)
https://www.selleckchem.com/products/pds-0330.html

$$$$
AY-20590
csChFnd80/02252511162D

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>  <Mol_ID> (1,636)
1747

>  <Formula> (1,636)
C16H10N2O2

>  <MolWeight> (1,636)
262.2628

>  <Cat> (1,636)
P3252

>  <Name> (1,636)
AY-20590

>  <Synonyms> (1,636)
N/A

>  <Target> (1,636)
Mcl-1,Anti-infection,PDGFR

>  <Form> (1,636)
free base

>  <CAS> (1,636)
57490-73-0

>  <URL> (1,636)
N/A

$$$$
WAY-278534
csChFnd80/02252511162D

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>  <Mol_ID> (1,637)
1748

>  <Formula> (1,637)
C11H9NO3S

>  <MolWeight> (1,637)
235.25906

>  <Cat> (1,637)
P3292

>  <Name> (1,637)
WAY-278534

>  <Synonyms> (1,637)
N/A

>  <Target> (1,637)
Pim-1,Pim-2

>  <Form> (1,637)
free base

>  <CAS> (1,637)
6320-51-0

>  <URL> (1,637)
N/A

$$$$
WAY-326890
csChFnd80/02252511162D

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1749

>  <Formula> (1,638)
C17H17N3O3S2

>  <MolWeight> (1,638)
375.46518

>  <Cat> (1,638)
P3354

>  <Name> (1,638)
WAY-326890

>  <Synonyms> (1,638)
N/A

>  <Target> (1,638)
Others

>  <Form> (1,638)
free base

>  <CAS> (1,638)
685865-67-2

>  <URL> (1,638)
N/A

$$$$
WAY-326891
csChFnd80/02252511162D

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>  <Formula> (1,639)
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WAY-326891

>  <Synonyms> (1,639)
N/A

>  <Target> (1,639)
kinase

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free base

>  <CAS> (1,639)
685865-71-8

>  <URL> (1,639)
N/A

$$$$
WAY-326892
csChFnd80/02252511162D

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>  <Formula> (1,640)
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>  <MolWeight> (1,640)
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>  <Cat> (1,640)
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>  <Name> (1,640)
WAY-326892

>  <Synonyms> (1,640)
N/A

>  <Target> (1,640)
kinase

>  <Form> (1,640)
free base

>  <CAS> (1,640)
685865-72-9

>  <URL> (1,640)
N/A

$$$$
WAY-326893
csChFnd80/02252511162D

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>  <Formula> (1,641)
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>  <MolWeight> (1,641)
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>  <Cat> (1,641)
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>  <Name> (1,641)
WAY-326893

>  <Synonyms> (1,641)
N/A

>  <Target> (1,641)
Others

>  <Form> (1,641)
free base

>  <CAS> (1,641)
685865-73-0

>  <URL> (1,641)
N/A

$$$$
WAY-326894
csChFnd80/02252511162D

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>  <Formula> (1,642)
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>  <MolWeight> (1,642)
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WAY-326894

>  <Synonyms> (1,642)
N/A

>  <Target> (1,642)
kinase

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free base

>  <CAS> (1,642)
685865-75-2

>  <URL> (1,642)
N/A

$$$$
WAY-328158
csChFnd80/02252511162D

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>  <Formula> (1,643)
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>  <MolWeight> (1,643)
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BCR-ABL

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free base

>  <CAS> (1,643)
688050-42-2

>  <URL> (1,643)
N/A

$$$$
WAY-621129
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,644)
1755

>  <Formula> (1,644)
C16H12O4

>  <MolWeight> (1,644)
268.26408

>  <Cat> (1,644)
P3461

>  <Name> (1,644)
WAY-621129

>  <Synonyms> (1,644)
N/A

>  <Target> (1,644)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,644)
free base

>  <CAS> (1,644)
6889-78-7

>  <URL> (1,644)
N/A

$$$$
WAY-621555
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,645)
1756

>  <Formula> (1,645)
C22H21N5

>  <MolWeight> (1,645)
355.43564

>  <Cat> (1,645)
P3462

>  <Name> (1,645)
WAY-621555

>  <Synonyms> (1,645)
N/A

>  <Target> (1,645)
Casein kinase 1¦Ä

>  <Form> (1,645)
free base

>  <CAS> (1,645)
956753-89-2

>  <URL> (1,645)
N/A

$$$$
WAY-621640
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,646)
1757

>  <Formula> (1,646)
C17H15N3O2S

>  <MolWeight> (1,646)
325.3849

>  <Cat> (1,646)
P3463

>  <Name> (1,646)
WAY-621640

>  <Synonyms> (1,646)
N/A

>  <Target> (1,646)
Casein kinase 1¦Ä

>  <Form> (1,646)
free base

>  <CAS> (1,646)
742113-71-9

>  <URL> (1,646)
N/A

$$$$
WAY-621856
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,647)
1758

>  <Formula> (1,647)
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>  <MolWeight> (1,647)
351.33936

>  <Cat> (1,647)
P3464

>  <Name> (1,647)
WAY-621856

>  <Synonyms> (1,647)
N/A

>  <Target> (1,647)
FGFR

>  <Form> (1,647)
free base

>  <CAS> (1,647)
606958-57-0

>  <URL> (1,647)
N/A

$$$$
WAY-639932
csChFnd80/02252511162D

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>  <Mol_ID> (1,648)
1759

>  <Formula> (1,648)
C17H12N4S2

>  <MolWeight> (1,648)
336.43398

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P3497

>  <Name> (1,648)
WAY-639932

>  <Synonyms> (1,648)
N/A

>  <Target> (1,648)
Casein kinase 1¦Ä

>  <Form> (1,648)
free base

>  <CAS> (1,648)
851467-69-1

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N/A

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WAY-660114
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kinase

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free base

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871317-00-9

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N/A

$$$$
WAY-660222
csChFnd80/02252511162D

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>  <Synonyms> (1,650)
N/A

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EGFR

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free base

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867294-23-3

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N/A

$$$$
WAY-660667
csChFnd80/02252511162D

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N/A

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ROS

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free base

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871218-26-7

>  <URL> (1,651)
N/A

$$$$
WAY-661516
csChFnd80/02252511162D

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WAY-661516

>  <Synonyms> (1,652)
N/A

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Aurora kinase A

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free base

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875163-98-7

>  <URL> (1,652)
N/A

$$$$
CL-230482
csChFnd80/02252511162D

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>  <Synonyms> (1,653)
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PDGFR

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free base

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909859-35-4

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N/A

$$$$
WYE-163716-A
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   -0.0162    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045   -1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -2.2445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4024    1.2279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5872   -2.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8507    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2769   -1.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0596   -1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9148    1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,654)
1765

>  <Formula> (1,654)
C15H14N4O2S2

>  <MolWeight> (1,654)
346.42726

>  <Cat> (1,654)
P3533

>  <Name> (1,654)
WYE-163716-A

>  <Synonyms> (1,654)
N/A

>  <Target> (1,654)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,654)
free base

>  <CAS> (1,654)
92902-64-2

>  <URL> (1,654)
N/A

$$$$
WYE-175765
csChFnd80/02252511162D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4583    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4583   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
  9 12  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,655)
1766

>  <Formula> (1,655)
C14H13NO6S

>  <MolWeight> (1,655)
323.32112

>  <Cat> (1,655)
P3534

>  <Name> (1,655)
WYE-175765

>  <Synonyms> (1,655)
N/A

>  <Target> (1,655)
JAK3,YopH,antibacterial

>  <Form> (1,655)
free base

>  <CAS> (1,655)
956236-35-4

>  <URL> (1,655)
N/A

$$$$
WYE-175829
csChFnd80/02252511162D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 16 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,656)
1767

>  <Formula> (1,656)
C13H14N2O3S

>  <MolWeight> (1,656)
278.32686

>  <Cat> (1,656)
P3535

>  <Name> (1,656)
WYE-175829

>  <Synonyms> (1,656)
N/A

>  <Target> (1,656)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,656)
free base

>  <CAS> (1,656)
327093-01-6

>  <URL> (1,656)
N/A

$$$$
WYE-175837
csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1556    3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,657)
1768

>  <Formula> (1,657)
C14H14N2O2

>  <MolWeight> (1,657)
242.27316

>  <Cat> (1,657)
P3536

>  <Name> (1,657)
WYE-175837

>  <Synonyms> (1,657)
N/A

>  <Target> (1,657)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,657)
free base

>  <CAS> (1,657)
891-35-0

>  <URL> (1,657)
N/A

$$$$
WYE-175840
csChFnd80/02252511162D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9042   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9042    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0208   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,658)
1769

>  <Formula> (1,658)
C17H19N5O3S

>  <MolWeight> (1,658)
373.42946

>  <Cat> (1,658)
P3537

>  <Name> (1,658)
WYE-175840

>  <Synonyms> (1,658)
N/A

>  <Target> (1,658)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,658)
free base

>  <CAS> (1,658)
380432-29-1

>  <URL> (1,658)
N/A

$$$$
WYE-176092
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5910    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3531    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669   -1.3511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090   -1.0477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    0.7040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9807   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1952    0.1247    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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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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N/A

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WAY-333491
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LRRK2

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free base

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852375-30-5

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N/A

$$$$
WAY-333434
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free base

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N/A

$$$$
WAY-662864
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UMPK

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free base

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1621866-83-8

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N/A

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WAY-278752
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free base

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331652-38-1

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N/A

$$$$
WAY-329594
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WAY-329599
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free base

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956910-38-6

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N/A

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WAY-329603
csChFnd80/02252511162D

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others

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free base

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956910-39-7

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N/A

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WAY-329598
csChFnd80/02252511162D

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others

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free base

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956910-48-8

>  <URL> (1,667)
N/A

$$$$
WAY-329607
csChFnd80/02252511162D

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others

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free base

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956920-91-5

>  <URL> (1,668)
N/A

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WAY-278535
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free base

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24138-83-8

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N/A

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WAY-299369
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,670)
1781

>  <Formula> (1,670)
C15H15ClN2O3

>  <MolWeight> (1,670)
306.7442

>  <Cat> (1,670)
P3304

>  <Name> (1,670)
WAY-299369

>  <Synonyms> (1,670)
N/A

>  <Target> (1,670)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,670)
free base

>  <CAS> (1,670)
1005078-45-4

>  <URL> (1,670)
N/A

$$$$
WAY-383270
csChFnd80/02252511162D

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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,671)
1782

>  <Formula> (1,671)
C23H24FN3O2S

>  <MolWeight> (1,671)
425.5189632

>  <Cat> (1,671)
P3419

>  <Name> (1,671)
WAY-383270

>  <Synonyms> (1,671)
N/A

>  <Target> (1,671)
Casein kinase 1¦Ä

>  <Form> (1,671)
free base

>  <CAS> (1,671)
1024284-84-1

>  <URL> (1,671)
N/A

$$$$
GI-566508
csChFnd80/02252511162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,672)
1783

>  <Formula> (1,672)
C17H17N3S

>  <MolWeight> (1,672)
295.40198

>  <Cat> (1,672)
P3259

>  <Name> (1,672)
GI-566508

>  <Synonyms> (1,672)
N/A

>  <Target> (1,672)
EGFR 

>  <Form> (1,672)
free base

>  <CAS> (1,672)
1164458-14-3

>  <URL> (1,672)
N/A

$$$$
WAY-107407
csChFnd80/02252511162D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,673)
1784

>  <Formula> (1,673)
C15H12N2O3

>  <MolWeight> (1,673)
268.26738

>  <Cat> (1,673)
P3262

>  <Name> (1,673)
WAY-107407

>  <Synonyms> (1,673)
N/A

>  <Target> (1,673)
PI3K

>  <Form> (1,673)
free base

>  <CAS> (1,673)
1164469-67-3

>  <URL> (1,673)
N/A

$$$$
WAY-114506
csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,674)
1785

>  <Formula> (1,674)
C10H18N4O4

>  <MolWeight> (1,674)
258.27432

>  <Cat> (1,674)
P3265

>  <Name> (1,674)
WAY-114506

>  <Synonyms> (1,674)
N/A

>  <Target> (1,674)
amyloid beta

>  <Form> (1,674)
free base

>  <CAS> (1,674)
1164500-43-9

>  <URL> (1,674)
N/A

$$$$
WAY-221060-A
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,675)
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>  <Formula> (1,675)
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>  <MolWeight> (1,675)
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>  <Cat> (1,675)
P3266

>  <Name> (1,675)
WAY-221060-A

>  <Synonyms> (1,675)
N/A

>  <Target> (1,675)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,675)
free base

>  <CAS> (1,675)
1351406-38-6

>  <URL> (1,675)
N/A

$$$$
WAY-240932
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,676)
1787

>  <Formula> (1,676)
C15H11BrN2O2S

>  <MolWeight> (1,676)
363.22904

>  <Cat> (1,676)
P3269

>  <Name> (1,676)
WAY-240932

>  <Synonyms> (1,676)
N/A

>  <Target> (1,676)
serine/threonine kinase

>  <Form> (1,676)
free base

>  <CAS> (1,676)
326914-66-3

>  <URL> (1,676)
N/A

$$$$
WAY-299590
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,677)
1788

>  <Formula> (1,677)
C19H20FNO

>  <MolWeight> (1,677)
297.3666032

>  <Cat> (1,677)
P3305

>  <Name> (1,677)
WAY-299590

>  <Synonyms> (1,677)
N/A

>  <Target> (1,677)
InhA,p38a

>  <Form> (1,677)
free base

>  <CAS> (1,677)
260428-61-3

>  <URL> (1,677)
N/A

$$$$
WAY-300062
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,678)
1789

>  <Formula> (1,678)
C16H16N4O2S

>  <MolWeight> (1,678)
328.38884

>  <Cat> (1,678)
P3307

>  <Name> (1,678)
WAY-300062

>  <Synonyms> (1,678)
N/A

>  <Target> (1,678)
Anti-infection

>  <Form> (1,678)
free base

>  <CAS> (1,678)
330990-68-6

>  <URL> (1,678)
N/A

$$$$
WAY-601017
csChFnd80/02252511162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,679)
1790

>  <Formula> (1,679)
C25H22N6O3S

>  <MolWeight> (1,679)
486.54558

>  <Cat> (1,679)
P3426

>  <Name> (1,679)
WAY-601017

>  <Synonyms> (1,679)
N/A

>  <Target> (1,679)
 PI3K

>  <Form> (1,679)
free base

>  <CAS> (1,679)
300375-81-9

>  <URL> (1,679)
N/A

$$$$
WAY-601035
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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N/A

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 PI3K

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free base

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304645-61-2

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N/A

$$$$
WAY-614915
csChFnd80/02252511162D

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>  <Synonyms> (1,681)
N/A

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Casein kinase 1¦Ä

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free base

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450394-66-8

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N/A

$$$$
WAY-615029
csChFnd80/02252511162D

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WAY-615029

>  <Synonyms> (1,682)
N/A

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Kinase

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free base

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730945-59-2

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N/A

$$$$
WAY-632613
csChFnd80/02252511162D

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WAY-632613

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N/A

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p38

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free base

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731816-85-6

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N/A

$$$$
WAY-632896
csChFnd80/02252511162D

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N/A

>  <Target> (1,684)
CDK9,GSK-3

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free base

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784170-07-6

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N/A

$$$$
WAY-632963-A
csChFnd80/02252511162D

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>  <Formula> (1,685)
C11H12ClN3O

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P3478

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WAY-632963

>  <Synonyms> (1,685)
N/A

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Aurora kinase A

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free base

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900640-73-5

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N/A

$$$$
WAY-633334
csChFnd80/02252511162D

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  8 16  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
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 15  6  1  0  0  0  0
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 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
  3  5  1  0  0  0  0
  9  7  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,686)
1797

>  <Formula> (1,686)
C15H15N3O2S

>  <MolWeight> (1,686)
301.3635

>  <Cat> (1,686)
P3479

>  <Name> (1,686)
WAY-633334

>  <Synonyms> (1,686)
N/A

>  <Target> (1,686)
Casein kinase 1¦Ä

>  <Form> (1,686)
free base

>  <CAS> (1,686)
757224-44-5

>  <URL> (1,686)
N/A

$$$$
WAY-633877
csChFnd80/02252511162D

 29 34  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
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  8 12  2  0  0  0  0
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
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 20 18  1  0  0  0  0
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 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24  2  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
 10  7  2  0  0  0  0
  8  5  1  0  0  0  0
 11  9  1  0  0  0  0
 29 28  1  0  0  0  0
 18 16  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,687)
1798

>  <Formula> (1,687)
C21H19N5O3

>  <MolWeight> (1,687)
389.40726

>  <Cat> (1,687)
P3480

>  <Name> (1,687)
WAY-633877

>  <Synonyms> (1,687)
N/A

>  <Target> (1,687)
Casein kinase 1¦Ä

>  <Form> (1,687)
free base

>  <CAS> (1,687)
782452-74-8

>  <URL> (1,687)
N/A

$$$$
WAY-652435
csChFnd80/02252511162D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
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 11 10  1  0  0  0  0
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  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,688)
1799

>  <Formula> (1,688)
C9H15N3O

>  <MolWeight> (1,688)
181.2349

>  <Cat> (1,688)
P3514

>  <Name> (1,688)
WAY-652435

>  <Synonyms> (1,688)
N/A

>  <Target> (1,688)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,688)
free base

>  <CAS> (1,688)
173850-51-6

>  <URL> (1,688)
N/A

$$$$
WAY-652509
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
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  3  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,689)
1800

>  <Formula> (1,689)
C15H12ClN3

>  <MolWeight> (1,689)
269.72888

>  <Cat> (1,689)
P3515

>  <Name> (1,689)
WAY-652509

>  <Synonyms> (1,689)
N/A

>  <Target> (1,689)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,689)
free base

>  <CAS> (1,689)
854355-54-7

>  <URL> (1,689)
N/A

$$$$
WAY-652641
csChFnd80/02252511162D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
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  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,690)
1801

>  <Formula> (1,690)
C9H14N2O3

>  <MolWeight> (1,690)
198.21906

>  <Cat> (1,690)
P3516

>  <Name> (1,690)
WAY-652641

>  <Synonyms> (1,690)
N/A

>  <Target> (1,690)
CDK

>  <Form> (1,690)
free base

>  <CAS> (1,690)
852851-73-1

>  <URL> (1,690)
N/A

$$$$
WAY-652848
csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
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 13 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,691)
1802

>  <Formula> (1,691)
C17H17F3N2O3

>  <MolWeight> (1,691)
354.3236896

>  <Cat> (1,691)
P3517

>  <Name> (1,691)
WAY-652848

>  <Synonyms> (1,691)
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SRPK kinase 

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free base

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848057-98-7

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N/A

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WAY-653005
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others

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free base

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74190-66-2

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N/A

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WAY-271413
csChFnd80/02252511162D

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N/A

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GSK-3¦Â

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free base

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536731-65-4

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N/A

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WAY-271999
csChFnd80/02252511162D

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>  <Synonyms> (1,694)
N/A

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c-Met

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free base

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147920-34-1

>  <URL> (1,694)
N/A

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WAY-272130
csChFnd80/02252511162D

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FGFR1

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free base

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442534-83-0

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N/A

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WAY-272324
csChFnd80/02252511162D

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900515-01-7

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N/A

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WAY-272449
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>  <Name> (1,697)
WAY-272449

>  <Synonyms> (1,697)
N/A

>  <Target> (1,697)
FGFR1

>  <Form> (1,697)
free base

>  <CAS> (1,697)
670266-26-9

>  <URL> (1,697)
N/A

$$$$
WAY-272589
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,698)
1809

>  <Formula> (1,698)
C16H15N3O2S2

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345.4392

>  <Cat> (1,698)
P3288

>  <Name> (1,698)
WAY-272589

>  <Synonyms> (1,698)
N/A

>  <Target> (1,698)
pin1

>  <Form> (1,698)
free base

>  <CAS> (1,698)
637325-53-2

>  <URL> (1,698)
N/A

$$$$
WAY-320008
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,699)
1810

>  <Formula> (1,699)
C20H16N4

>  <MolWeight> (1,699)
312.36784

>  <Cat> (1,699)
P3322

>  <Name> (1,699)
WAY-320008

>  <Synonyms> (1,699)
N/A

>  <Target> (1,699)
tropomyosin-related kinase a

>  <Form> (1,699)
free base

>  <CAS> (1,699)
128889-33-8

>  <URL> (1,699)
N/A

$$$$
WAY-320426
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,700)
1811

>  <Formula> (1,700)
C14H14ClN3O2

>  <MolWeight> (1,700)
291.73286

>  <Cat> (1,700)
P3326

>  <Name> (1,700)
WAY-320426

>  <Synonyms> (1,700)
N/A

>  <Target> (1,700)
Anti-infection

>  <Form> (1,700)
free base

>  <CAS> (1,700)
312601-47-1

>  <URL> (1,700)
N/A

$$$$
WAY-635767
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,701)
1812

>  <Formula> (1,701)
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>  <MolWeight> (1,701)
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>  <Cat> (1,701)
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>  <Name> (1,701)
WAY-635767

>  <Synonyms> (1,701)
N/A

>  <Target> (1,701)
Aurora kinase A

>  <Form> (1,701)
free base

>  <CAS> (1,701)
790232-33-6

>  <URL> (1,701)
N/A

$$$$
CL-16859
csChFnd80/02252511162D

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>  <Mol_ID> (1,702)
1813

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>  <Name> (1,702)
CL-16859

>  <Synonyms> (1,702)
N/A

>  <Target> (1,702)
Anti-infection 

>  <Form> (1,702)
free base

>  <CAS> (1,702)
438025-86-6

>  <URL> (1,702)
N/A

$$$$
WAY-320706
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
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 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
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  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,703)
1814

>  <Formula> (1,703)
C13H11ClN6OS2

>  <MolWeight> (1,703)
366.84904

>  <Cat> (1,703)
P3328

>  <Name> (1,703)
WAY-320706

>  <Synonyms> (1,703)
N/A

>  <Target> (1,703)
Anti-infection, ATOH-1

>  <Form> (1,703)
free base

>  <CAS> (1,703)
370092-42-5

>  <URL> (1,703)
N/A

$$$$
WAY-320774
csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  7  5  2  0  0  0  0
  6  9  2  0  0  0  0
 23 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,704)
1815

>  <Formula> (1,704)
C19H16N4O2S

>  <MolWeight> (1,704)
364.42094

>  <Cat> (1,704)
P3329

>  <Name> (1,704)
WAY-320774

>  <Synonyms> (1,704)
N/A

>  <Target> (1,704)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,704)
free base

>  <CAS> (1,704)
425653-38-9

>  <URL> (1,704)
N/A

$$$$
WAY-320951
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,705)
1816

>  <Formula> (1,705)
C14H11N3O4S

>  <MolWeight> (1,705)
317.31984

>  <Cat> (1,705)
P3330

>  <Name> (1,705)
WAY-320951

>  <Synonyms> (1,705)
N/A

>  <Target> (1,705)
Anti-infection

>  <Form> (1,705)
free base

>  <CAS> (1,705)
430444-03-4

>  <URL> (1,705)
N/A

$$$$
WAY-321002
csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
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 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,706)
1817

>  <Formula> (1,706)
C20H16N4

>  <MolWeight> (1,706)
312.36784

>  <Cat> (1,706)
P3331

>  <Name> (1,706)
WAY-321002

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,706)
free base

>  <CAS> (1,706)
166039-38-9

>  <URL> (1,706)
N/A

$$$$
WAY-321364
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 11 13  2  0  0  0  0
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 25 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,707)
1818

>  <Formula> (1,707)
C21H17N3O4

>  <MolWeight> (1,707)
375.37738

>  <Cat> (1,707)
P3332

>  <Name> (1,707)
WAY-321364

>  <Synonyms> (1,707)
N/A

>  <Target> (1,707)
casein kinase 2

>  <Form> (1,707)
free base

>  <CAS> (1,707)
385389-39-9

>  <URL> (1,707)
N/A

$$$$
WAY-321366
csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,708)
1819

>  <Formula> (1,708)
C20H14ClN3O3

>  <MolWeight> (1,708)
379.79646

>  <Cat> (1,708)
P3333

>  <Name> (1,708)
WAY-321366

>  <Synonyms> (1,708)
N/A

>  <Target> (1,708)
tyrosine kinase

>  <Form> (1,708)
free base

>  <CAS> (1,708)
370854-75-4

>  <URL> (1,708)
N/A

$$$$
WAY-321582-A
csChFnd80/02252511162D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,709)
1820

>  <Formula> (1,709)
C13H11N3O

>  <MolWeight> (1,709)
225.24594

>  <Cat> (1,709)
P3334

>  <Name> (1,709)
WAY-321582-A

>  <Synonyms> (1,709)
N/A

>  <Target> (1,709)
casein kinase 2

>  <Form> (1,709)
free base

>  <CAS> (1,709)
34116-16-0

>  <URL> (1,709)
N/A

$$$$
WAY-321961
csChFnd80/02252511162D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.8875   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
  6  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,710)
1821

>  <Formula> (1,710)
C12H11NO3

>  <MolWeight> (1,710)
217.22064

>  <Cat> (1,710)
P3336

>  <Name> (1,710)
WAY-321961

>  <Synonyms> (1,710)
N/A

>  <Target> (1,710)
protein kinase D

>  <Form> (1,710)
free base

>  <CAS> (1,710)
370586-05-3

>  <URL> (1,710)
N/A

$$$$
WAY-322545
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.4167   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 17  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
  4  3  1  0  0  0  0
 21 18  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,711)
1822

>  <Formula> (1,711)
C17H19ClN2O3

>  <MolWeight> (1,711)
334.79736

>  <Cat> (1,711)
P3337

>  <Name> (1,711)
WAY-322545

>  <Synonyms> (1,711)
N/A

>  <Target> (1,711)
GSK-3¦Á/¦Â

>  <Form> (1,711)
free base

>  <CAS> (1,711)
451449-70-0

>  <URL> (1,711)
N/A

$$$$
WAY-322940
csChFnd80/02252511162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3756    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
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 12  9  1  0  0  0  0
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  2  5  2  0  0  0  0
 13 18  1  0  0  0  0
  8 10  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,712)
1823

>  <Formula> (1,712)
C22H20N4O4S

>  <MolWeight> (1,712)
436.4836

>  <Cat> (1,712)
P3338

>  <Name> (1,712)
WAY-322940

>  <Synonyms> (1,712)
N/A

>  <Target> (1,712)
Rho 

>  <Form> (1,712)
free base

>  <CAS> (1,712)
445267-51-6

>  <URL> (1,712)
N/A

$$$$
WAY-604116
csChFnd80/02252511162D

 20 23  0  0  0  0  0  0  0  0999 V2000
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   -0.1202    1.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8350   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4798    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1350   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
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 18 20  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,713)
1824

>  <Formula> (1,713)
C17H22N2O

>  <MolWeight> (1,713)
270.36938

>  <Cat> (1,713)
P3436

>  <Name> (1,713)
WAY-604116

>  <Synonyms> (1,713)
N/A

>  <Target> (1,713)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,713)
free base

>  <CAS> (1,713)
121768-39-6

>  <URL> (1,713)
N/A

$$$$
WAY-299721
csChFnd80/02252511162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,714)
1825

>  <Formula> (1,714)
C18H15ClF3N5OS

>  <MolWeight> (1,714)
441.8578096

>  <Cat> (1,714)
P3306

>  <Name> (1,714)
WAY-299721

>  <Synonyms> (1,714)
N/A

>  <Target> (1,714)
SYK kinase

>  <Form> (1,714)
free base

>  <CAS> (1,714)
338427-78-4

>  <URL> (1,714)
N/A

$$$$
WAY-300385
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,715)
1826

>  <Formula> (1,715)
C13H15N3O2S2

>  <MolWeight> (1,715)
309.4071

>  <Cat> (1,715)
P3308

>  <Name> (1,715)
WAY-300385

>  <Synonyms> (1,715)
N/A

>  <Target> (1,715)
Anti-infection

>  <Form> (1,715)
free base

>  <CAS> (1,715)
500188-71-6

>  <URL> (1,715)
N/A

$$$$
WAY-300442
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4034    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  6 10  1  0  0  0  0
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 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
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 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 18 22  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,716)
1827

>  <Formula> (1,716)
C18H11BrN2O4

>  <MolWeight> (1,716)
399.19494

>  <Cat> (1,716)
P3309

>  <Name> (1,716)
WAY-300442

>  <Synonyms> (1,716)
N/A

>  <Target> (1,716)
ATP-kinase

>  <Form> (1,716)
free base

>  <CAS> (1,716)
333773-08-3

>  <URL> (1,716)
N/A

$$$$
WAY-384934
csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,717)
1828

>  <Formula> (1,717)
C24H22N4O2

>  <MolWeight> (1,717)
398.45708

>  <Cat> (1,717)
P3420

>  <Name> (1,717)
WAY-384934

>  <Synonyms> (1,717)
N/A

>  <Target> (1,717)
pyruvate kinase

>  <Form> (1,717)
free base

>  <CAS> (1,717)
498568-75-5

>  <URL> (1,717)
N/A

$$$$
WAY-388796
csChFnd80/02252511162D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,718)
1829

>  <Formula> (1,718)
C11H11ClN2S

>  <MolWeight> (1,718)
238.73644

>  <Cat> (1,718)
P3421

>  <Name> (1,718)
WAY-388796

>  <Synonyms> (1,718)
N/A

>  <Target> (1,718)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,718)
free base

>  <CAS> (1,718)
40106-58-9

>  <URL> (1,718)
N/A

$$$$
WAY-388798
csChFnd80/02252511162D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,719)
1830

>  <Formula> (1,719)
C7H5ClN2OS

>  <MolWeight> (1,719)
200.6454

>  <Cat> (1,719)
P3422

>  <Name> (1,719)
WAY-388798

>  <Synonyms> (1,719)
N/A

>  <Target> (1,719)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,719)
free base

>  <CAS> (1,719)
63417-81-2

>  <URL> (1,719)
N/A

$$$$
WAY-346940
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,720)
1831

>  <Formula> (1,720)
C15H11ClN4O2S

>  <MolWeight> (1,720)
346.79144

>  <Cat> (1,720)
P3391

>  <Name> (1,720)
WAY-346940

>  <Synonyms> (1,720)
N/A

>  <Target> (1,720)
Rho

>  <Form> (1,720)
free base

>  <CAS> (1,720)
392246-66-1

>  <URL> (1,720)
N/A

$$$$
WAY-347243
csChFnd80/02252511162D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,721)
1832

>  <Formula> (1,721)
C11H13N3S

>  <MolWeight> (1,721)
219.30602

>  <Cat> (1,721)
P3392

>  <Name> (1,721)
WAY-347243

>  <Synonyms> (1,721)
N/A

>  <Target> (1,721)
Anti-infection

>  <Form> (1,721)
free base

>  <CAS> (1,721)
422298-69-9

>  <URL> (1,721)
N/A

$$$$
WAY-347626
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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  5  2  1  0  0  0  0
  7 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,722)
1833

>  <Formula> (1,722)
C17H15N3O3

>  <MolWeight> (1,722)
309.3193

>  <Cat> (1,722)
P3393

>  <Name> (1,722)
WAY-347626

>  <Synonyms> (1,722)
N/A

>  <Target> (1,722)
CDK2

>  <Form> (1,722)
free base

>  <CAS> (1,722)
756843-31-9

>  <URL> (1,722)
N/A

$$$$
WAY-347806
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,723)
1834

>  <Formula> (1,723)
C17H13FN2O4S

>  <MolWeight> (1,723)
360.3595232

>  <Cat> (1,723)
P3394

>  <Name> (1,723)
WAY-347806

>  <Synonyms> (1,723)
N/A

>  <Target> (1,723)
CK2,GSK3¦Â

>  <Form> (1,723)
free base

>  <CAS> (1,723)
757198-76-8

>  <URL> (1,723)
N/A

$$$$
WAY-349858
csChFnd80/02252511162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.6625   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2667   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6167   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -8.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4542   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -8.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -10.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16 18  2  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,724)
1836

>  <Formula> (1,724)
C15H16N2O4S

>  <MolWeight> (1,724)
320.36354

>  <Cat> (1,724)
P3398

>  <Name> (1,724)
WAY-349858

>  <Synonyms> (1,724)
N/A

>  <Target> (1,724)
c-Jun N-terminal kinase

>  <Form> (1,724)
free base

>  <CAS> (1,724)
771503-50-5

>  <URL> (1,724)
N/A

$$$$
WAY-350732
csChFnd80/02252511162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.5167   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6667   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3292   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -3.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2417   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1837

>  <Formula> (1,725)
C13H11BrN2O2S

>  <MolWeight> (1,725)
339.20764

>  <Cat> (1,725)
P3399

>  <Name> (1,725)
WAY-350732

>  <Synonyms> (1,725)
N/A

>  <Target> (1,725)
c-Jun N-terminal kinase

>  <Form> (1,725)
free base

>  <CAS> (1,725)
438602-71-2

>  <URL> (1,725)
N/A

$$$$
WAY-351429
csChFnd80/02252511162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.5917   -5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -3.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2542   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -3.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8250   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4625   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,726)
1838

>  <Formula> (1,726)
C21H23N3O4

>  <MolWeight> (1,726)
381.42502

>  <Cat> (1,726)
P3400

>  <Name> (1,726)
WAY-351429

>  <Synonyms> (1,726)
N/A

>  <Target> (1,726)
choline kinase

>  <Form> (1,726)
free base

>  <CAS> (1,726)
451474-95-6

>  <URL> (1,726)
N/A

$$$$
WAY-351812
csChFnd80/02252511162D

 25 26  0  0  0  0  0  0  0  0999 V2000
   14.7417   -8.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -9.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875  -10.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -8.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -6.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9875   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -5.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4917   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
  6  5  1  0  0  0  0
  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,727)
1840

>  <Formula> (1,727)
C15H14F3N3O3S

>  <MolWeight> (1,727)
373.3501696

>  <Cat> (1,727)
P3402

>  <Name> (1,727)
WAY-351812

>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
CDK8

>  <Form> (1,727)
free base

>  <CAS> (1,727)
471289-61-9

>  <URL> (1,727)
N/A

$$$$
WAY-352098
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.6792   -4.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0875   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  1  0  0  0  0
 11 15  1  0  0  0  0
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 13 20  1  0  0  0  0
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 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
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 20 23  1  0  0  0  0
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M  END
>  <Mol_ID> (1,728)
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P3403

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WAY-352098

>  <Synonyms> (1,728)
N/A

>  <Target> (1,728)
PDK1,CRTH2

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free base

>  <CAS> (1,728)
482643-39-0

>  <URL> (1,728)
N/A

$$$$
WAY-352753
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,729)
1842

>  <Formula> (1,729)
C14H10ClN3OS

>  <MolWeight> (1,729)
303.7667

>  <Cat> (1,729)
P3404

>  <Name> (1,729)
WAY-352753

>  <Synonyms> (1,729)
N/A

>  <Target> (1,729)
GSK-3

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free base

>  <CAS> (1,729)
478482-74-5

>  <URL> (1,729)
N/A

$$$$
WAY-353591
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,730)
1843

>  <Formula> (1,730)
C16H12FN3S

>  <MolWeight> (1,730)
297.3499832

>  <Cat> (1,730)
P3406

>  <Name> (1,730)
WAY-353591

>  <Synonyms> (1,730)
N/A

>  <Target> (1,730)
Casein kinase 1d

>  <Form> (1,730)
free base

>  <CAS> (1,730)
454427-09-9

>  <URL> (1,730)
N/A

$$$$
WAY-353890
csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,731)
1844

>  <Formula> (1,731)
C17H13FN4O

>  <MolWeight> (1,731)
308.3097232

>  <Cat> (1,731)
P3407

>  <Name> (1,731)
WAY-353890

>  <Synonyms> (1,731)
N/A

>  <Target> (1,731)
FGFR1

>  <Form> (1,731)
free base

>  <CAS> (1,731)
459137-97-4

>  <URL> (1,731)
N/A

$$$$
WAY-354189
csChFnd80/02252511162D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,732)
1845

>  <Formula> (1,732)
C15H12Cl2N2O4S

>  <MolWeight> (1,732)
387.23778

>  <Cat> (1,732)
P3408

>  <Name> (1,732)
WAY-354189

>  <Synonyms> (1,732)
N/A

>  <Target> (1,732)
JAK-STAT

>  <Form> (1,732)
free base

>  <CAS> (1,732)
850019-35-1

>  <URL> (1,732)
N/A

$$$$
WAY-352835
csChFnd80/02252511162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,733)
1846

>  <Formula> (1,733)
C16H15N3OS

>  <MolWeight> (1,733)
297.3748

>  <Cat> (1,733)
P3405

>  <Name> (1,733)
WAY-352835

>  <Synonyms> (1,733)
N/A

>  <Target> (1,733)
tyrosine kinase

>  <Form> (1,733)
free base

>  <CAS> (1,733)
401638-52-6

>  <URL> (1,733)
N/A

$$$$
WAY-354890
csChFnd80/02252511162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,734)
1847

>  <Formula> (1,734)
C17H16FN3S

>  <MolWeight> (1,734)
313.3924432

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P3410

>  <Name> (1,734)
WAY-354890

>  <Synonyms> (1,734)
N/A

>  <Target> (1,734)
EGFR 

>  <Form> (1,734)
free base

>  <CAS> (1,734)
852407-49-9

>  <URL> (1,734)
N/A

$$$$
WAY-355772
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,735)
1848

>  <Formula> (1,735)
C19H13F3N2O4S

>  <MolWeight> (1,735)
422.3777296

>  <Cat> (1,735)
P3411

>  <Name> (1,735)
WAY-355772

>  <Synonyms> (1,735)
N/A

>  <Target> (1,735)
serine/threonine kinase

>  <Form> (1,735)
free base

>  <CAS> (1,735)
442658-33-5

>  <URL> (1,735)
N/A

$$$$
WAY-357919
csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
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  6  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,736)
1849

>  <Formula> (1,736)
C18H16N2O2S

>  <MolWeight> (1,736)
324.39684

>  <Cat> (1,736)
P3412

>  <Name> (1,736)
WAY-357919

>  <Synonyms> (1,736)
N/A

>  <Target> (1,736)
VEGFR

>  <Form> (1,736)
free base

>  <CAS> (1,736)
298207-77-9

>  <URL> (1,736)
N/A

$$$$
WAY-358024
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,737)
1850

>  <Formula> (1,737)
C15H11N3O3

>  <MolWeight> (1,737)
281.26614

>  <Cat> (1,737)
P3413

>  <Name> (1,737)
WAY-358024

>  <Synonyms> (1,737)
N/A

>  <Target> (1,737)
GSK-3b

>  <Form> (1,737)
free base

>  <CAS> (1,737)
70169-39-0

>  <URL> (1,737)
N/A

$$$$
WAY-358667-A
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,738)
1851

>  <Formula> (1,738)
C12H8N2S2

>  <MolWeight> (1,738)
244.33532

>  <Cat> (1,738)
P3414

>  <Name> (1,738)
WAY-358667-A

>  <Synonyms> (1,738)
N/A

>  <Target> (1,738)
Human protein kinase CK2

>  <Form> (1,738)
free base

>  <CAS> (1,738)
182198-89-6

>  <URL> (1,738)
N/A

$$$$
WAY-358981
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  8  7  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
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 16  9  1  0  0  0  0
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 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
  3  5  2  0  0  0  0
 13  9  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,739)
1852

>  <Formula> (1,739)
C14H12N4O

>  <MolWeight> (1,739)
252.27128

>  <Cat> (1,739)
P3415

>  <Name> (1,739)
WAY-358981

>  <Synonyms> (1,739)
N/A

>  <Target> (1,739)
sphingosine kinase

>  <Form> (1,739)
free base

>  <CAS> (1,739)
307322-32-3

>  <URL> (1,739)
N/A

$$$$
WAY-359594
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22  8  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 10  4  2  0  0  0  0
 20 25  1  0  0  0  0
 27 21  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,740)
1853

>  <Formula> (1,740)
C23H21N3O2

>  <MolWeight> (1,740)
371.43174

>  <Cat> (1,740)
P3416

>  <Name> (1,740)
WAY-359594

>  <Synonyms> (1,740)
N/A

>  <Target> (1,740)
G protein coupled receptor 6 kinase

>  <Form> (1,740)
free base

>  <CAS> (1,740)
33495-39-5

>  <URL> (1,740)
N/A

$$$$
WAY-381785
csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 10  9  2  0  0  0  0
  5  3  1  0  0  0  0
 13  7  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,741)
1854

>  <Formula> (1,741)
C20H23N3O

>  <MolWeight> (1,741)
321.41612

>  <Cat> (1,741)
P3417

>  <Name> (1,741)
WAY-381785

>  <Synonyms> (1,741)
N/A

>  <Target> (1,741)
GSK3

>  <Form> (1,741)
free base

>  <CAS> (1,741)
511239-29-5

>  <URL> (1,741)
N/A

$$$$
WAY-313201
csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,742)
1855

>  <Formula> (1,742)
C12H12N2O3S

>  <MolWeight> (1,742)
264.30028

>  <Cat> (1,742)
P3320

>  <Name> (1,742)
WAY-313201

>  <Synonyms> (1,742)
N/A

>  <Target> (1,742)
 GSK-3b

>  <Form> (1,742)
free base

>  <CAS> (1,742)
571904-77-3

>  <URL> (1,742)
N/A

$$$$
WAY-311972
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
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  7  6  1  0  0  0  0
  1  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
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 15  4  2  0  0  0  0
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 18 12  1  0  0  0  0
 18 19  2  0  0  0  0
 20 16  1  0  0  0  0
 10 21  2  0  0  0  0
 22 17  1  0  0  0  0
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 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 25 28  2  0  0  0  0
  9 11  1  0  0  0  0
  3  7  2  0  0  0  0
 14 13  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,743)
1856

>  <Formula> (1,743)
C21H18BrN3O3

>  <MolWeight> (1,743)
440.28992

>  <Cat> (1,743)
P3315

>  <Name> (1,743)
WAY-311972

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
ATP-kinases

>  <Form> (1,743)
free base

>  <CAS> (1,743)
606948-76-9

>  <URL> (1,743)
N/A

$$$$
WAY-113178
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 19 21  1  0  0  0  0
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 26 28  1  0  0  0  0
  6  8  2  0  0  0  0
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 15 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,744)
1857

>  <Formula> (1,744)
C21H17N3O3S

>  <MolWeight> (1,744)
391.44298

>  <Cat> (1,744)
P3263

>  <Name> (1,744)
WAY-113178

>  <Synonyms> (1,744)
N/A

>  <Target> (1,744)
IkB kinase-beta 

>  <Form> (1,744)
free base

>  <CAS> (1,744)
638999-98-1

>  <URL> (1,744)
N/A

$$$$
WAY-344977
csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 18  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19  4  2  0  0  0  0
 20  5  2  0  0  0  0
 21 22  1  0  0  0  0
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 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
  4  5  1  0  0  0  0
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,745)
1860

>  <Formula> (1,745)
C17H17ClN4O2S

>  <MolWeight> (1,745)
376.86048

>  <Cat> (1,745)
P3389

>  <Name> (1,745)
WAY-344977

>  <Synonyms> (1,745)
N/A

>  <Target> (1,745)
GSK-3

>  <Form> (1,745)
free base

>  <CAS> (1,745)
686743-57-7

>  <URL> (1,745)
N/A

$$$$
WAY-310507
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,746)
1861

>  <Formula> (1,746)
C11H10N4O2S

>  <MolWeight> (1,746)
262.2877

>  <Cat> (1,746)
P3311

>  <Name> (1,746)
WAY-310507

>  <Synonyms> (1,746)
N/A

>  <Target> (1,746)
Anti-infection

>  <Form> (1,746)
free base

>  <CAS> (1,746)
686743-93-1

>  <URL> (1,746)
N/A

$$$$
WAY-310944
csChFnd80/02252511162D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,747)
1862

>  <Formula> (1,747)
C11H10N2O2S2

>  <MolWeight> (1,747)
266.3393

>  <Cat> (1,747)
P3313

>  <Name> (1,747)
WAY-310944

>  <Synonyms> (1,747)
N/A

>  <Target> (1,747)
Anti-infection

>  <Form> (1,747)
free base

>  <CAS> (1,747)
688335-53-7

>  <URL> (1,747)
N/A

$$$$
WAY-310334
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,748)
1863

>  <Formula> (1,748)
C14H16N2O2S2

>  <MolWeight> (1,748)
308.41904

>  <Cat> (1,748)
P3310

>  <Name> (1,748)
WAY-310334

>  <Synonyms> (1,748)
N/A

>  <Target> (1,748)
mPGES-1,human protein kinase CK2

>  <Form> (1,748)
free base

>  <CAS> (1,748)
688335-72-0

>  <URL> (1,748)
N/A

$$$$
WAY-310819
csChFnd80/02252511162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Synonyms> (1,749)
N/A

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B-Raf

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free base

>  <CAS> (1,749)
326918-98-3

>  <URL> (1,749)
N/A

$$$$
CL-59089
csChFnd80/02252511162D

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CL-59089

>  <Synonyms> (1,750)
N/A

>  <Target> (1,750)
sirtuin,Rho,CDK

>  <Form> (1,750)
free base

>  <CAS> (1,750)
3008-61-5

>  <URL> (1,750)
N/A

$$$$
WAY-616312
csChFnd80/02252511162D

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WAY-616312

>  <Synonyms> (1,751)
N/A

>  <Target> (1,751)
sirtuin,Rho,CDK

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free base

>  <CAS> (1,751)
730946-98-2

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N/A

$$$$
WAY-624687
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,752)
1867

>  <Formula> (1,752)
C13H9N5S2

>  <MolWeight> (1,752)
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>  <Cat> (1,752)
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>  <Name> (1,752)
WAY-624687

>  <Synonyms> (1,752)
N/A

>  <Target> (1,752)
GSK3

>  <Form> (1,752)
free base

>  <CAS> (1,752)
753473-65-3

>  <URL> (1,752)
N/A

$$$$
WAY-333883
csChFnd80/02252511162D

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>  <Mol_ID> (1,753)
1868

>  <Formula> (1,753)
C16H16Cl2N4O

>  <MolWeight> (1,753)
351.23044

>  <Cat> (1,753)
P3382

>  <Name> (1,753)
WAY-333883

>  <Synonyms> (1,753)
N/A

>  <Target> (1,753)
pyruvate kinase

>  <Form> (1,753)
free base

>  <CAS> (1,753)
863448-35-5

>  <URL> (1,753)
N/A

$$$$
WAY-333875
csChFnd80/02252511162D

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>  <Mol_ID> (1,754)
1869

>  <Formula> (1,754)
C16H16ClFN4O

>  <MolWeight> (1,754)
334.7758432

>  <Cat> (1,754)
P3380

>  <Name> (1,754)
WAY-333875

>  <Synonyms> (1,754)
N/A

>  <Target> (1,754)
pyruvate kinase

>  <Form> (1,754)
free base

>  <CAS> (1,754)
863448-22-0

>  <URL> (1,754)
N/A

$$$$
WAY-333878
csChFnd80/02252511162D

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WAY-333878

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N/A

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pyruvate kinase

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free base

>  <CAS> (1,755)
863448-25-3

>  <URL> (1,755)
N/A

$$$$
WAY-329412
csChFnd80/02252511162D

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>  <Formula> (1,756)
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>  <MolWeight> (1,756)
439.5057

>  <Cat> (1,756)
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>  <Name> (1,756)
WAY-329412

>  <Synonyms> (1,756)
N/A

>  <Target> (1,756)
Abl

>  <Form> (1,756)
free base

>  <CAS> (1,756)
943932-69-2

>  <URL> (1,756)
N/A

$$$$
WAY-329689
csChFnd80/02252511162D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,757)
C29H29N3O4

>  <MolWeight> (1,757)
483.55826

>  <Cat> (1,757)
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>  <Name> (1,757)
WAY-329689

>  <Synonyms> (1,757)
N/A

>  <Target> (1,757)
Abl

>  <Form> (1,757)
free base

>  <CAS> (1,757)
943934-76-7

>  <URL> (1,757)
N/A

$$$$
WAY-329424
csChFnd80/02252511162D

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>  <Formula> (1,758)
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>  <MolWeight> (1,758)
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>  <Cat> (1,758)
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>  <Name> (1,758)
WAY-329424

>  <Synonyms> (1,758)
N/A

>  <Target> (1,758)
Abl

>  <Form> (1,758)
free base

>  <CAS> (1,758)
943933-52-6

>  <URL> (1,758)
N/A

$$$$
WAY-329686
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,759)
1874

>  <Formula> (1,759)
C25H29N3O3

>  <MolWeight> (1,759)
419.51606

>  <Cat> (1,759)
P3375

>  <Name> (1,759)
WAY-329686

>  <Synonyms> (1,759)
N/A

>  <Target> (1,759)
Abl

>  <Form> (1,759)
free base

>  <CAS> (1,759)
943934-31-4

>  <URL> (1,759)
N/A

$$$$
WAY-329410
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,760)
1875

>  <Formula> (1,760)
C26H23N3O3

>  <MolWeight> (1,760)
425.47912

>  <Cat> (1,760)
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>  <Name> (1,760)
WAY-329410

>  <Synonyms> (1,760)
N/A

>  <Target> (1,760)
Abl

>  <Form> (1,760)
free base

>  <CAS> (1,760)
943932-62-5

>  <URL> (1,760)
N/A

$$$$
WAY-329685
csChFnd80/02252511162D

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>  <Mol_ID> (1,761)
1876

>  <Formula> (1,761)
C28H27N3O4

>  <MolWeight> (1,761)
469.53168

>  <Cat> (1,761)
P3374

>  <Name> (1,761)
WAY-329685

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
Abl

>  <Form> (1,761)
free base

>  <CAS> (1,761)
943934-25-6

>  <URL> (1,761)
N/A

$$$$
WAY-329423
csChFnd80/02252511162D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,762)
1877

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N/A

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WAY-329341
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free base

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943931-29-1

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N/A

$$$$
WAY-329340
csChFnd80/02252511162D

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N/A

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WAY-641918
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 30 28  1  0  0  0  0
 15 17  1  0  0  0  0
 22  9  1  0  0  0  0
 30 29  2  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,766)
1881

>  <Formula> (1,766)
C25H24N2O3

>  <MolWeight> (1,766)
400.46966

>  <Cat> (1,766)
P3498

>  <Name> (1,766)
WAY-641918

>  <Synonyms> (1,766)
N/A

>  <Target> (1,766)
TAO kinase

>  <Form> (1,766)
free base

>  <CAS> (1,766)
850467-77-5

>  <URL> (1,766)
N/A

$$$$
WAY-278459-A
csChFnd80/02252511162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.2242    0.4392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6633    0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
  5  4  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,767)
1882

>  <Formula> (1,767)
C11H12N2OS

>  <MolWeight> (1,767)
220.29078

>  <Cat> (1,767)
P3291

>  <Name> (1,767)
WAY-278459-A

>  <Synonyms> (1,767)
N/A

>  <Target> (1,767)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (1,767)
free base

>  <CAS> (1,767)
105512-88-7

>  <URL> (1,767)
N/A

$$$$
WAY-278559-A
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.2421    1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,768)
1884

>  <Formula> (1,768)
C17H23N3O

>  <MolWeight> (1,768)
285.38402

>  <Cat> (1,768)
P3294

>  <Name> (1,768)
WAY-278559-A

>  <Synonyms> (1,768)
N/A

>  <Target> (1,768)
ethanolamine kinase

>  <Form> (1,768)
free base

>  <CAS> (1,768)
301330-81-4

>  <URL> (1,768)
N/A

$$$$
WAY-642481
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4458   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 17  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,769)
1885

>  <Formula> (1,769)
C17H16N2OS

>  <MolWeight> (1,769)
296.38674

>  <Cat> (1,769)
P3501

>  <Name> (1,769)
WAY-642481

>  <Synonyms> (1,769)
N/A

>  <Target> (1,769)
CDK

>  <Form> (1,769)
free base

>  <CAS> (1,769)
22312-45-4

>  <URL> (1,769)
N/A

$$$$
WAY-643632-A
csChFnd80/02252511162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7917    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.9292    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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,770)
1886

>  <Formula> (1,770)
C11H14N2O2

>  <MolWeight> (1,770)
206.24106

>  <Cat> (1,770)
P3502

>  <Name> (1,770)
WAY-643632-A

>  <Synonyms> (1,770)
N/A

>  <Target> (1,770)
SRC kinase,TTX-S channel

>  <Form> (1,770)
free base

>  <CAS> (1,770)
500356-88-7

>  <URL> (1,770)
N/A

$$$$
WAY-642424
csChFnd80/02252511162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 25  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 11  1  0  0  0  0
 27 11  2  0  0  0  0
  3  5  1  0  0  0  0
 21 20  1  0  0  0  0
 16 24  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,771)
1887

>  <Formula> (1,771)
C19H14FN5OS

>  <MolWeight> (1,771)
379.4107632

>  <Cat> (1,771)
P3500

>  <Name> (1,771)
WAY-642424

>  <Synonyms> (1,771)
N/A

>  <Target> (1,771)
Casein kinase 1¦Ä

>  <Form> (1,771)
free base

>  <CAS> (1,771)
851396-73-1

>  <URL> (1,771)
N/A

$$$$
WAY-333939
csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,772)
1888

>  <Formula> (1,772)
C19H21N5O2

>  <MolWeight> (1,772)
351.40234

>  <Cat> (1,772)
P3384

>  <Name> (1,772)
WAY-333939

>  <Synonyms> (1,772)
N/A

>  <Target> (1,772)
Anti-infection

>  <Form> (1,772)
free base

>  <CAS> (1,772)
689268-14-2

>  <URL> (1,772)
N/A

$$$$
WAY-333908
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,773)
1889

>  <Formula> (1,773)
C17H12N6O2

>  <MolWeight> (1,773)
332.31618

>  <Cat> (1,773)
P3383

>  <Name> (1,773)
WAY-333908

>  <Synonyms> (1,773)
N/A

>  <Target> (1,773)
others

>  <Form> (1,773)
free base

>  <CAS> (1,773)
689269-24-7

>  <URL> (1,773)
N/A

$$$$
WAY-333945
csChFnd80/02252511162D

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 10  5  1  0  0  0  0
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 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
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  4  3  1  0  0  0  0
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 16 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,774)
1890

>  <Formula> (1,774)
C17H13N5O2S

>  <MolWeight> (1,774)
351.38242

>  <Cat> (1,774)
P3385

>  <Name> (1,774)
WAY-333945

>  <Synonyms> (1,774)
N/A

>  <Target> (1,774)
Anti-infection

>  <Form> (1,774)
free base

>  <CAS> (1,774)
689273-45-8

>  <URL> (1,774)
N/A

$$$$
WAY-616584
csChFnd80/02252511162D

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 10 11  1  0  0  0  0
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 12  8  1  0  0  0  0
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 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
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 22 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,775)
1891

>  <Formula> (1,775)
C16H13N3O2S

>  <MolWeight> (1,775)
311.35832

>  <Cat> (1,775)
P3455

>  <Name> (1,775)
WAY-616584

>  <Synonyms> (1,775)
N/A

>  <Target> (1,775)
Casein kinase 1¦Ä

>  <Form> (1,775)
free base

>  <CAS> (1,775)
695223-53-1

>  <URL> (1,775)
N/A

$$$$
WAY-625530
csChFnd80/02252511162D

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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,776)
1892

>  <Formula> (1,776)
C22H18ClFN2O3

>  <MolWeight> (1,776)
412.8413232

>  <Cat> (1,776)
P3466

>  <Name> (1,776)
WAY-625530

>  <Synonyms> (1,776)
N/A

>  <Target> (1,776)
FGFR1

>  <Form> (1,776)
free base

>  <CAS> (1,776)
956782-57-3

>  <URL> (1,776)
N/A

$$$$
WAY-625741
csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,777)
1893

>  <Formula> (1,777)
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>  <MolWeight> (1,777)
343.35712

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P3467

>  <Name> (1,777)
WAY-625741

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
Casein kinase 1d

>  <Form> (1,777)
free base

>  <CAS> (1,777)
756857-71-3

>  <URL> (1,777)
N/A

$$$$
WAY-626116
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,778)
1894

>  <Formula> (1,778)
C20H14FN3O4S2

>  <MolWeight> (1,778)
443.4712632

>  <Cat> (1,778)
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>  <Name> (1,778)
WAY-626116

>  <Synonyms> (1,778)
N/A

>  <Target> (1,778)
Casein kinase 1d

>  <Form> (1,778)
free base

>  <CAS> (1,778)
753468-25-6

>  <URL> (1,778)
N/A

$$$$
WAY-273170
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,779)
1895

>  <Formula> (1,779)
C19H13ClN4O2S

>  <MolWeight> (1,779)
396.85012

>  <Cat> (1,779)
P3289

>  <Name> (1,779)
WAY-273170

>  <Synonyms> (1,779)
N/A

>  <Target> (1,779)
Myt1

>  <Form> (1,779)
free base

>  <CAS> (1,779)
478247-52-8

>  <URL> (1,779)
N/A

$$$$
WAY-277054
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,780)
1896

>  <Formula> (1,780)
C16H11ClFN3OS2

>  <MolWeight> (1,780)
379.8594432

>  <Cat> (1,780)
P3290

>  <Name> (1,780)
WAY-277054

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
tyrosine kinase

>  <Form> (1,780)
free base

>  <CAS> (1,780)
753467-39-9?

>  <URL> (1,780)
N/A

$$$$
WAY-336715
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,781)
1897

>  <Formula> (1,781)
C21H20N4OS

>  <MolWeight> (1,781)
376.4747

>  <Cat> (1,781)
P3386

>  <Name> (1,781)
WAY-336715

>  <Synonyms> (1,781)
N/A

>  <Target> (1,781)
CDK8

>  <Form> (1,781)
free base

>  <CAS> (1,781)
451458-32-5

>  <URL> (1,781)
N/A

$$$$
WAY-337647
csChFnd80/02252511162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,782)
1898

>  <Formula> (1,782)
C15H12ClNO4

>  <MolWeight> (1,782)
305.71308

>  <Cat> (1,782)
P3387

>  <Name> (1,782)
WAY-337647

>  <Synonyms> (1,782)
N/A

>  <Target> (1,782)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,782)
free base

>  <CAS> (1,782)
1402605-80-4

>  <URL> (1,782)
N/A

$$$$
WAY-612453
csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,783)
1899

>  <Formula> (1,783)
C9H8Cl2N4S

>  <MolWeight> (1,783)
275.15762

>  <Cat> (1,783)
P3446

>  <Name> (1,783)
WAY-612453

>  <Synonyms> (1,783)
N/A

>  <Target> (1,783)
Anti-infection

>  <Form> (1,783)
free base

>  <CAS> (1,783)
300809-10-3

>  <URL> (1,783)
N/A

$$$$
WAY-612622
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,784)
1900

>  <Formula> (1,784)
C16H11FN2O2

>  <MolWeight> (1,784)
282.2691432

>  <Cat> (1,784)
P3447

>  <Name> (1,784)
WAY-612622

>  <Synonyms> (1,784)
N/A

>  <Target> (1,784)
CDK

>  <Form> (1,784)
free base

>  <CAS> (1,784)
288401-60-5

>  <URL> (1,784)
N/A

$$$$
WAY-612698
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,785)
1901

>  <Formula> (1,785)
C17H19NO4S

>  <MolWeight> (1,785)
333.40206

>  <Cat> (1,785)
P3448

>  <Name> (1,785)
WAY-612698

>  <Synonyms> (1,785)
N/A

>  <Target> (1,785)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,785)
free base

>  <CAS> (1,785)
565191-45-9

>  <URL> (1,785)
N/A

$$$$
WAY-630308
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,786)
1902

>  <Formula> (1,786)
C16H21N3O3

>  <MolWeight> (1,786)
303.35624

>  <Cat> (1,786)
P3469

>  <Name> (1,786)
WAY-630308

>  <Synonyms> (1,786)
N/A

>  <Target> (1,786)
Casein kinase 1¦Ä

>  <Form> (1,786)
free base

>  <CAS> (1,786)
326034-30-4

>  <URL> (1,786)
N/A

$$$$
WAY-630363
csChFnd80/02252511162D

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1903

>  <Formula> (1,787)
C19H15N3O3S

>  <MolWeight> (1,787)
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>  <Name> (1,787)
WAY-630363

>  <Synonyms> (1,787)
N/A

>  <Target> (1,787)
Casein kinase 1¦Ä

>  <Form> (1,787)
free base

>  <CAS> (1,787)
729579-66-2

>  <URL> (1,787)
N/A

$$$$
WAY-647361
csChFnd80/02252511162D

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>  <Mol_ID> (1,788)
1904

>  <Formula> (1,788)
C8H6N2O4

>  <MolWeight> (1,788)
194.14424

>  <Cat> (1,788)
P3504

>  <Name> (1,788)
WAY-647361

>  <Synonyms> (1,788)
N/A

>  <Target> (1,788)
 PI3K

>  <Form> (1,788)
free base

>  <CAS> (1,788)
852399-94-1

>  <URL> (1,788)
N/A

$$$$
WAY-647636
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,789)
1905

>  <Formula> (1,789)
C23H18N4O3S

>  <MolWeight> (1,789)
430.47902

>  <Cat> (1,789)
P3505

>  <Name> (1,789)
WAY-647636

>  <Synonyms> (1,789)
N/A

>  <Target> (1,789)
Casein kinase 1¦Ä

>  <Form> (1,789)
free base

>  <CAS> (1,789)
556055-08-4

>  <URL> (1,789)
N/A

$$$$
WAY-647729
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,790)
1906

>  <Formula> (1,790)
C16H11N3OS

>  <MolWeight> (1,790)
293.34304

>  <Cat> (1,790)
P3506

>  <Name> (1,790)
WAY-647729

>  <Synonyms> (1,790)
N/A

>  <Target> (1,790)
CDK

>  <Form> (1,790)
free base

>  <CAS> (1,790)
852678-17-2

>  <URL> (1,790)
N/A

$$$$
WAY-647766
csChFnd80/02252511162D

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>  <Mol_ID> (1,791)
1907

>  <Formula> (1,791)
C16H12N6S

>  <MolWeight> (1,791)
320.37168

>  <Cat> (1,791)
P3507

>  <Name> (1,791)
WAY-647766

>  <Synonyms> (1,791)
N/A

>  <Target> (1,791)
Casein kinase 1¦Ä

>  <Form> (1,791)
free base

>  <CAS> (1,791)
851168-98-4

>  <URL> (1,791)
N/A

$$$$
WAY-647802
csChFnd80/02252511162D

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free base

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852225-20-8

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N/A

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WAY-648936
csChFnd80/02252511162D

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CDK

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free base

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796888-73-8

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N/A

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WAY-649123
csChFnd80/02252511162D

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>  <Synonyms> (1,794)
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free base

>  <CAS> (1,794)
801244-46-2

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N/A

$$$$
WL-300778
csChFnd80/02252511162D

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802980-14-9

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N/A

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WAY-313218
csChFnd80/02252511162D

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N/A

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11¦Â-HSD1 

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free base

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260428-69-1

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N/A

$$$$
WAY-313013
csChFnd80/02252511162D

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326898-76-4

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N/A

$$$$
GI-560708
csChFnd80/02252511162D

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   -0.1433   -2.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1847    1.7870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  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
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  5  9  1  0  0  0  0
  7 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
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,798)
1914

>  <Formula> (1,798)
C20H18N4O2

>  <MolWeight> (1,798)
346.38252

>  <Cat> (1,798)
P3258

>  <Name> (1,798)
GI-560708

>  <Synonyms> (1,798)
N/A

>  <Target> (1,798)
BCR-ABL 

>  <Form> (1,798)
free base

>  <CAS> (1,798)
2362-25-6

>  <URL> (1,798)
N/A

$$$$
WAY-311066
csChFnd80/02252511162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   -0.6276   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -2.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 15 20  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,799)
1916

>  <Formula> (1,799)
C21H17N3O3

>  <MolWeight> (1,799)
359.37798

>  <Cat> (1,799)
P3314

>  <Name> (1,799)
WAY-311066

>  <Synonyms> (1,799)
N/A

>  <Target> (1,799)
Casein kinase 1¦Ä

>  <Form> (1,799)
free base

>  <CAS> (1,799)
332074-85-8

>  <URL> (1,799)
N/A

$$$$
WAY-312567
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5101    0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0101    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3688    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101    1.7274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7481   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9101    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6105   -0.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,800)
1917

>  <Formula> (1,800)
C16H20N2O2S

>  <MolWeight> (1,800)
304.4072

>  <Cat> (1,800)
P3317

>  <Name> (1,800)
WAY-312567

>  <Synonyms> (1,800)
N/A

>  <Target> (1,800)
Anti-infection

>  <Form> (1,800)
free base

>  <CAS> (1,800)
330955-59-4

>  <URL> (1,800)
N/A

$$$$
WAY-312157
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.7172    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,801)
1918

>  <Formula> (1,801)
C14H18N2O2S

>  <MolWeight> (1,801)
278.36992

>  <Cat> (1,801)
P3316

>  <Name> (1,801)
WAY-312157

>  <Synonyms> (1,801)
N/A

>  <Target> (1,801)
ATP-utilizing enzyme

>  <Form> (1,801)
free base

>  <CAS> (1,801)
354544-70-0

>  <URL> (1,801)
N/A

$$$$
WAY-114228
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2833    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1682    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9630    2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3790    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5841    2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,802)
1919

>  <Formula> (1,802)
C21H23NO

>  <MolWeight> (1,802)
305.41342

>  <Cat> (1,802)
P3264

>  <Name> (1,802)
WAY-114228

>  <Synonyms> (1,802)
N/A

>  <Target> (1,802)
MEK1

>  <Form> (1,802)
free base

>  <CAS> (1,802)
333325-96-5

>  <URL> (1,802)
N/A

$$$$
WAY-248134
csChFnd80/02252511162D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.7759   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9655   -0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,803)
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>  <Synonyms> (1,803)
N/A

>  <Target> (1,803)
LIMK1£¬IKK¦Â

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free base

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67795-42-0

>  <URL> (1,803)
N/A

$$$$
WAY-296818
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,804)
1921

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C17H16N2O2S

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312.38614

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P3297

>  <Name> (1,804)
WAY-296818

>  <Synonyms> (1,804)
N/A

>  <Target> (1,804)
casein kinase 1

>  <Form> (1,804)
free base

>  <CAS> (1,804)
349438-77-3

>  <URL> (1,804)
N/A

$$$$
WAY-271147
csChFnd80/02252511162D

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>  <Mol_ID> (1,805)
1923

>  <Formula> (1,805)
C17H12N2O4

>  <MolWeight> (1,805)
308.28818

>  <Cat> (1,805)
P3281

>  <Name> (1,805)
WAY-271147

>  <Synonyms> (1,805)
N/A

>  <Target> (1,805)
VEGFR

>  <Form> (1,805)
free base

>  <CAS> (1,805)
683235-34-9

>  <URL> (1,805)
N/A

$$$$
WAY-600632
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,806)
1924

>  <Formula> (1,806)
C14H9N3O2S2

>  <MolWeight> (1,806)
315.37016

>  <Cat> (1,806)
P3423

>  <Name> (1,806)
WAY-600632

>  <Synonyms> (1,806)
N/A

>  <Target> (1,806)
Casein kinase 1¦Ä

>  <Form> (1,806)
free base

>  <CAS> (1,806)
438018-70-3

>  <URL> (1,806)
N/A

$$$$
WAY-601258
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,807)
1925

>  <Formula> (1,807)
C13H12N4OS2

>  <MolWeight> (1,807)
304.39058

>  <Cat> (1,807)
P3428

>  <Name> (1,807)
WAY-601258

>  <Synonyms> (1,807)
N/A

>  <Target> (1,807)
Anti-infection

>  <Form> (1,807)
free base

>  <CAS> (1,807)
496023-52-0

>  <URL> (1,807)
N/A

$$$$
WAY-601323
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,808)
1926

>  <Formula> (1,808)
C16H18N4O2

>  <MolWeight> (1,808)
298.33972

>  <Cat> (1,808)
P3429

>  <Name> (1,808)
WAY-601323

>  <Synonyms> (1,808)
N/A

>  <Target> (1,808)
CDK9 

>  <Form> (1,808)
free base

>  <CAS> (1,808)
324778-48-5

>  <URL> (1,808)
N/A

$$$$
WAY-600704-A
csChFnd80/02252511162D

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 10  8  2  0  0  0  0
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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,809)
1927

>  <Formula> (1,809)
C17H22N2O

>  <MolWeight> (1,809)
270.36938

>  <Cat> (1,809)
P3424

>  <Name> (1,809)
WAY-600704

>  <Synonyms> (1,809)
N/A

>  <Target> (1,809)
ethanolamine kinase

>  <Form> (1,809)
free base

>  <CAS> (1,809)
301330-94-9

>  <URL> (1,809)
N/A

$$$$
WAY-600868
csChFnd80/02252511162D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,810)
1928

>  <Formula> (1,810)
C13H9FN2S

>  <MolWeight> (1,810)
244.2873632

>  <Cat> (1,810)
P3425

>  <Name> (1,810)
WAY-600868

>  <Synonyms> (1,810)
N/A

>  <Target> (1,810)
FGFR3

>  <Form> (1,810)
free base

>  <CAS> (1,810)
348-45-8

>  <URL> (1,810)
N/A

$$$$
CL-104773
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,811)
1929

>  <Formula> (1,811)
C17H14N2O

>  <MolWeight> (1,811)
262.30586

>  <Cat> (1,811)
P3253

>  <Name> (1,811)
CL-104773

>  <Synonyms> (1,811)
N/A

>  <Target> (1,811)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,811)
free base

>  <CAS> (1,811)
802980-92-3

>  <URL> (1,811)
N/A

$$$$
WAY-269040
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,812)
1930

>  <Formula> (1,812)
C20H23N3OS

>  <MolWeight> (1,812)
353.48112

>  <Cat> (1,812)
P3271

>  <Name> (1,812)
WAY-269040

>  <Synonyms> (1,812)
N/A

>  <Target> (1,812)
Anti-infection

>  <Form> (1,812)
free base

>  <CAS> (1,812)
846065-09-6

>  <URL> (1,812)
N/A

$$$$
WAY-339696
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8875   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
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 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
  7  6  2  0  0  0  0
 22 21  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,813)
1931

>  <Formula> (1,813)
C16H11BrN2O3

>  <MolWeight> (1,813)
359.17414

>  <Cat> (1,813)
P3388

>  <Name> (1,813)
WAY-339696

>  <Synonyms> (1,813)
N/A

>  <Target> (1,813)
 EGFR-T790M/L858R

>  <Form> (1,813)
free base

>  <CAS> (1,813)
333419-97-9

>  <URL> (1,813)
N/A

$$$$
WAY-349290
csChFnd80/02252511162D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,814)
1932

>  <Formula> (1,814)
C12H7ClN2OS

>  <MolWeight> (1,814)
262.71478

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P3396

>  <Name> (1,814)
WAY-349290

>  <Synonyms> (1,814)
N/A

>  <Target> (1,814)
Pim,MCH receptor

>  <Form> (1,814)
free base

>  <CAS> (1,814)
215928-66-8

>  <URL> (1,814)
N/A

$$$$
WAY-613473
csChFnd80/02252511162D

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M  END
>  <Mol_ID> (1,815)
1933

>  <Formula> (1,815)
C20H16N4O3S

>  <MolWeight> (1,815)
392.43104

>  <Cat> (1,815)
P3450

>  <Name> (1,815)
WAY-613473

>  <Synonyms> (1,815)
N/A

>  <Target> (1,815)
HIV,JAK-2,PI3K

>  <Form> (1,815)
free base

>  <CAS> (1,815)
301357-74-4

>  <URL> (1,815)
N/A

$$$$
WAY-613991
csChFnd80/02252511162D

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 10 13  1  0  0  0  0
 11  2  2  0  0  0  0
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 21  9  2  0  0  0  0
 22  5  2  0  0  0  0
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M  END
>  <Mol_ID> (1,816)
1934

>  <Formula> (1,816)
C23H17N3O4

>  <MolWeight> (1,816)
399.39878

>  <Cat> (1,816)
P3451

>  <Name> (1,816)
WAY-613991

>  <Synonyms> (1,816)
N/A

>  <Target> (1,816)
Casein kinase 1d

>  <Form> (1,816)
free base

>  <CAS> (1,816)
565167-37-5

>  <URL> (1,816)
N/A

$$$$
WAY-630998
csChFnd80/02252511162D

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 11  1  2  0  0  0  0
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M  END
>  <Mol_ID> (1,817)
1935

>  <Formula> (1,817)
C21H22N4O

>  <MolWeight> (1,817)
346.42558

>  <Cat> (1,817)
P3471

>  <Name> (1,817)
WAY-630998

>  <Synonyms> (1,817)
N/A

>  <Target> (1,817)
p38a

>  <Form> (1,817)
free base

>  <CAS> (1,817)
251106-30-6

>  <URL> (1,817)
N/A

$$$$
WAY-631127
csChFnd80/02252511162D

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>  <Mol_ID> (1,818)
1936

>  <Formula> (1,818)
C24H18ClN3O3

>  <MolWeight> (1,818)
431.87102

>  <Cat> (1,818)
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>  <Name> (1,818)
WAY-631127

>  <Synonyms> (1,818)
N/A

>  <Target> (1,818)
Casein kinase 1¦Ä

>  <Form> (1,818)
free base

>  <CAS> (1,818)
756849-12-4

>  <URL> (1,818)
N/A

$$$$
WAY-631545
csChFnd80/02252511162D

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   -2.8133   -1.2536    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14 16  2  0  0  0  0
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 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
  5  4  1  0  0  0  0
 10  7  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,819)
1937

>  <Formula> (1,819)
C12H6ClFN2S

>  <MolWeight> (1,819)
264.7058432

>  <Cat> (1,819)
P3473

>  <Name> (1,819)
WAY-631545

>  <Synonyms> (1,819)
N/A

>  <Target> (1,819)
others

>  <Form> (1,819)
free base

>  <CAS> (1,819)
681260-56-0

>  <URL> (1,819)
N/A

$$$$
WAY-632021
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
  8  9  2  0  0  0  0
  5  4  2  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,820)
1938

>  <Formula> (1,820)
C13H10ClN3S

>  <MolWeight> (1,820)
275.7566

>  <Cat> (1,820)
P3474

>  <Name> (1,820)
WAY-632021

>  <Synonyms> (1,820)
N/A

>  <Target> (1,820)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,820)
free base

>  <CAS> (1,820)
742094-64-0

>  <URL> (1,820)
N/A

$$$$
WAY-632323
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 18  2  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  3  4  1  0  0  0  0
 21 16  1  0  0  0  0
  7  8  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,821)
1939

>  <Formula> (1,821)
C18H15N5S2

>  <MolWeight> (1,821)
365.4752

>  <Cat> (1,821)
P3475

>  <Name> (1,821)
WAY-632323

>  <Synonyms> (1,821)
N/A

>  <Target> (1,821)
Casein kinase 1¦Ä

>  <Form> (1,821)
free base

>  <CAS> (1,821)
782457-22-1

>  <URL> (1,821)
N/A

$$$$
WAY-650313
csChFnd80/02252511162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    4.1667    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 20  1  0  0  0  0
 20 10  2  0  0  0  0
 21 19  2  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 17  2  0  0  0  0
 25 18  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 26  2  0  0  0  0
  8  7  2  0  0  0  0
 25 24  1  0  0  0  0
 21 14  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,822)
1940

>  <Formula> (1,822)
C23H18FN3O

>  <MolWeight> (1,822)
371.4069232

>  <Cat> (1,822)
P3511

>  <Name> (1,822)
WAY-650313

>  <Synonyms> (1,822)
N/A

>  <Target> (1,822)
Casein kinase 1¦Ä

>  <Form> (1,822)
free base

>  <CAS> (1,822)
847772-08-1

>  <URL> (1,822)
N/A

$$$$
WAY-650886
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16  4  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
  5  3  2  0  0  0  0
 18 14  2  0  0  0  0
 10  9  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,823)
1941

>  <Formula> (1,823)
C19H16N4O2

>  <MolWeight> (1,823)
332.35594

>  <Cat> (1,823)
P3512

>  <Name> (1,823)
WAY-650886

>  <Synonyms> (1,823)
N/A

>  <Target> (1,823)
Casein kinase 1¦Ä

>  <Form> (1,823)
free base

>  <CAS> (1,823)
848066-61-5

>  <URL> (1,823)
N/A

$$$$
WAY-651445
csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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   -0.1176    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,824)
1942

>  <Formula> (1,824)
C18H13N3O2S

>  <MolWeight> (1,824)
335.37972

>  <Cat> (1,824)
P3513

>  <Name> (1,824)
WAY-651445

>  <Synonyms> (1,824)
N/A

>  <Target> (1,824)
LIMK1£¬IkB

>  <Form> (1,824)
free base

>  <CAS> (1,824)
848289-47-4

>  <URL> (1,824)
N/A

$$$$
GI-555736
csChFnd80/02252511162D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,825)
1943

>  <Formula> (1,825)
C14H12N2

>  <MolWeight> (1,825)
208.25848

>  <Cat> (1,825)
P3257

>  <Name> (1,825)
GI-555736

>  <Synonyms> (1,825)
N/A

>  <Target> (1,825)
PDGFR

>  <Form> (1,825)
free base

>  <CAS> (1,825)
848342-16-5

>  <URL> (1,825)
N/A

$$$$
WAY-270318
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,826)
1944

>  <Formula> (1,826)
C14H14N4OS

>  <MolWeight> (1,826)
286.35216

>  <Cat> (1,826)
P3272

>  <Name> (1,826)
WAY-270318

>  <Synonyms> (1,826)
N/A

>  <Target> (1,826)
protein kinase

>  <Form> (1,826)
free base

>  <CAS> (1,826)
721964-48-3

>  <URL> (1,826)
N/A

$$$$
WAY-270329
csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
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 13  7  1  0  0  0  0
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 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
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  6  3  1  0  0  0  0
 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,827)
1945

>  <Formula> (1,827)
C21H18FN5O2S

>  <MolWeight> (1,827)
423.4633232

>  <Cat> (1,827)
P3273

>  <Name> (1,827)
WAY-270329

>  <Synonyms> (1,827)
N/A

>  <Target> (1,827)
protein kinase

>  <Form> (1,827)
free base

>  <CAS> (1,827)
721964-51-8

>  <URL> (1,827)
N/A

$$$$
WAY-270444
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  4  9  1  0  0  0  0
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  6  9  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,828)
1946

>  <Formula> (1,828)
C17H16N2O3

>  <MolWeight> (1,828)
296.32054

>  <Cat> (1,828)
P3275

>  <Name> (1,828)
WAY-270444

>  <Synonyms> (1,828)
N/A

>  <Target> (1,828)
Hsp90,PDK4,PPAR

>  <Form> (1,828)
free base

>  <CAS> (1,828)
394237-61-7

>  <URL> (1,828)
N/A

$$$$
WAY-270966
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   13.4875  -18.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -17.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875  -17.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625  -23.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125  -22.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 21  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
  3  7  1  0  0  0  0
 11  6  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,829)
1947

>  <Formula> (1,829)
C16H14BrN3OS2

>  <MolWeight> (1,829)
408.33586

>  <Cat> (1,829)
P3278

>  <Name> (1,829)
WAY-270966

>  <Synonyms> (1,829)
N/A

>  <Target> (1,829)
p38

>  <Form> (1,829)
free base

>  <CAS> (1,829)
421578-44-1

>  <URL> (1,829)
N/A

$$$$
WAY-270968
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.6417   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -9.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -9.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -8.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -7.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5750   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -4.5750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 19  1  0  0  0  0
 18  4  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,830)
1948

>  <Formula> (1,830)
C16H13FN2OS2

>  <MolWeight> (1,830)
332.4156232

>  <Cat> (1,830)
P3279

>  <Name> (1,830)
WAY-270968

>  <Synonyms> (1,830)
N/A

>  <Target> (1,830)
p38

>  <Form> (1,830)
free base

>  <CAS> (1,830)
421578-46-3

>  <URL> (1,830)
N/A

$$$$
WAY-320509
csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2928   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -2.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -1.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411    0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7411   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -1.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2618   -0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7693   -2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    3.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,831)
1949

>  <Formula> (1,831)
C18H17N3O2S

>  <MolWeight> (1,831)
339.41148

>  <Cat> (1,831)
P3327

>  <Name> (1,831)
WAY-320509

>  <Synonyms> (1,831)
N/A

>  <Target> (1,831)
Anti-infection,CDK8

>  <Form> (1,831)
free base

>  <CAS> (1,831)
314035-54-6

>  <URL> (1,831)
N/A

$$$$
WAY-320049
csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.5509    0.1569    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8889    0.1569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509    1.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5268   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560   -2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284    1.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0096   -2.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9854    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3973    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 17  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,832)
1950

>  <Formula> (1,832)
C13H17NO3S

>  <MolWeight> (1,832)
267.34398

>  <Cat> (1,832)
P3323

>  <Name> (1,832)
WAY-320049

>  <Synonyms> (1,832)
N/A

>  <Target> (1,832)
others

>  <Form> (1,832)
free base

>  <CAS> (1,832)
298193-11-0

>  <URL> (1,832)
N/A

$$$$
WAY-320080
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -2.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -2.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -2.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    1.2236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5518    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    1.2236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    1.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,833)
1951

>  <Formula> (1,833)
C14H13N3O2S

>  <MolWeight> (1,833)
287.33692

>  <Cat> (1,833)
P3324

>  <Name> (1,833)
WAY-320080

>  <Synonyms> (1,833)
N/A

>  <Target> (1,833)
glucokinase,heat shock protein 90

>  <Form> (1,833)
free base

>  <CAS> (1,833)
349549-38-8

>  <URL> (1,833)
N/A

$$$$
WAY-320081
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8747   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505   -2.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781   -2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -2.9272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8023    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    0.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5943    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    1.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115   -0.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505    1.3279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4805    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495    1.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,834)
1952

>  <Formula> (1,834)
C14H13N3O2S

>  <MolWeight> (1,834)
287.33692

>  <Cat> (1,834)
P3325

>  <Name> (1,834)
WAY-320081

>  <Synonyms> (1,834)
N/A

>  <Target> (1,834)
glucokinase,heat shock protein 90

>  <Form> (1,834)
free base

>  <CAS> (1,834)
66780-67-4

>  <URL> (1,834)
N/A

$$$$
WAY-602219
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,835)
1953

>  <Formula> (1,835)
C14H12N2O3S2

>  <MolWeight> (1,835)
320.38668

>  <Cat> (1,835)
P3430

>  <Name> (1,835)
WAY-602219

>  <Synonyms> (1,835)
N/A

>  <Target> (1,835)
Trypanosoma brucei hexokinase 

>  <Form> (1,835)
free base

>  <CAS> (1,835)
378197-09-2

>  <URL> (1,835)
N/A

$$$$
WAY-602746
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,836)
1954

>  <Formula> (1,836)
C20H16N4O

>  <MolWeight> (1,836)
328.36724

>  <Cat> (1,836)
P3431

>  <Name> (1,836)
WAY-602746

>  <Synonyms> (1,836)
N/A

>  <Target> (1,836)
ROS 

>  <Form> (1,836)
free base

>  <CAS> (1,836)
370096-57-4

>  <URL> (1,836)
N/A

$$$$
WAY-603264
csChFnd80/02252511162D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.3743    0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576    0.8174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
  5  6  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,837)
1955

>  <Formula> (1,837)
C8H12N2OS

>  <MolWeight> (1,837)
184.25868

>  <Cat> (1,837)
P3432

>  <Name> (1,837)
WAY-603264

>  <Synonyms> (1,837)
N/A

>  <Target> (1,837)
adenosine kinase

>  <Form> (1,837)
free base

>  <CAS> (1,837)
58350-40-6

>  <URL> (1,837)
N/A

$$$$
WAY-603359
csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
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   -0.7208   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1417    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
  7  8  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,838)
1956

>  <Formula> (1,838)
C10H12ClN3O2

>  <MolWeight> (1,838)
241.67418

>  <Cat> (1,838)
P3433

>  <Name> (1,838)
WAY-603359

>  <Synonyms> (1,838)
N/A

>  <Target> (1,838)
p38

>  <Form> (1,838)
free base

>  <CAS> (1,838)
329268-90-8

>  <URL> (1,838)
N/A

$$$$
WAY-634931
csChFnd80/02252511162D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.2653   -1.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,839)
1957

>  <Formula> (1,839)
C10H14O2

>  <MolWeight> (1,839)
166.21696

>  <Cat> (1,839)
P3482

>  <Name> (1,839)
WAY-634931

>  <Synonyms> (1,839)
N/A

>  <Target> (1,839)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,839)
free base

>  <CAS> (1,839)
82683-51-0

>  <URL> (1,839)
N/A

$$$$
WAY-634964
csChFnd80/02252511162D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
  4  5  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,840)
1958

>  <Formula> (1,840)
C9H7N3O2

>  <MolWeight> (1,840)
189.17078

>  <Cat> (1,840)
P3483

>  <Name> (1,840)
WAY-634964

>  <Synonyms> (1,840)
N/A

>  <Target> (1,840)
tyrosine kinase

>  <Form> (1,840)
free base

>  <CAS> (1,840)
157842-34-7

>  <URL> (1,840)
N/A

$$$$
WAY-634704
csChFnd80/02252511162D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 16  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
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 15  3  2  0  0  0  0
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 17  9  2  0  0  0  0
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 20  8  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
  4  5  1  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,841)
1959

>  <Formula> (1,841)
C13H13ClN2O5S

>  <MolWeight> (1,841)
344.77072

>  <Cat> (1,841)
P3481

>  <Name> (1,841)
WAY-634704

>  <Synonyms> (1,841)
N/A

>  <Target> (1,841)
Aurora kinase A

>  <Form> (1,841)
free base

>  <CAS> (1,841)
781619-26-9

>  <URL> (1,841)
N/A

$$$$
WAY-635109
csChFnd80/02252511162D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
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  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9 15  2  0  0  0  0
 10  4  2  0  0  0  0
 11 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13 18  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
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 11  8  1  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,842)
1960

>  <Formula> (1,842)
C13H9N3O2S

>  <MolWeight> (1,842)
271.29446

>  <Cat> (1,842)
P3484

>  <Name> (1,842)
WAY-635109

>  <Synonyms> (1,842)
N/A

>  <Target> (1,842)
B-Raf

>  <Form> (1,842)
free base

>  <CAS> (1,842)
781622-25-1

>  <URL> (1,842)
N/A

$$$$
WAY-635114
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
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 17 14  2  0  0  0  0
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 10  7  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,843)
1961

>  <Formula> (1,843)
C13H11N3OS

>  <MolWeight> (1,843)
257.31094

>  <Cat> (1,843)
P3485

>  <Name> (1,843)
WAY-635114

>  <Synonyms> (1,843)
N/A

>  <Target> (1,843)
B-Raf

>  <Form> (1,843)
free base

>  <CAS> (1,843)
781622-52-4

>  <URL> (1,843)
N/A

$$$$
WAY-635319
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
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 20 15  1  0  0  0  0
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 18 12  2  0  0  0  0
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M  END
>  <Mol_ID> (1,844)
1962

>  <Formula> (1,844)
C16H14N2O3

>  <MolWeight> (1,844)
282.29396

>  <Cat> (1,844)
P3486

>  <Name> (1,844)
WAY-635319

>  <Synonyms> (1,844)
N/A

>  <Target> (1,844)
CDK

>  <Form> (1,844)
free base

>  <CAS> (1,844)
763098-07-3

>  <URL> (1,844)
N/A

$$$$
WAY-603610
csChFnd80/02252511162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17  7  2  0  0  0  0
 18 11  1  0  0  0  0
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 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
  9 10  2  0  0  0  0
  3  5  1  0  0  0  0
  7 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,845)
1963

>  <Formula> (1,845)
C17H19N3OS

>  <MolWeight> (1,845)
313.41726

>  <Cat> (1,845)
P3434

>  <Name> (1,845)
WAY-603610

>  <Synonyms> (1,845)
N/A

>  <Target> (1,845)
GSK3

>  <Form> (1,845)
free base

>  <CAS> (1,845)
380450-97-5

>  <URL> (1,845)
N/A

$$$$
WAY-603814
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,846)
1964

>  <Formula> (1,846)
C16H13ClN2O3

>  <MolWeight> (1,846)
316.73902

>  <Cat> (1,846)
P3435

>  <Name> (1,846)
WAY-603814

>  <Synonyms> (1,846)
N/A

>  <Target> (1,846)
FGFR1, HSP 90 

>  <Form> (1,846)
free base

>  <CAS> (1,846)
308298-51-3

>  <URL> (1,846)
N/A

$$$$
WAY-636900
csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   -3.8583    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 16  2  0  0  0  0
 21 22  1  0  0  0  0
 22 13  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 14  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  9 14  1  0  0  0  0
 13  7  1  0  0  0  0
 30 26  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,847)
1965

>  <Formula> (1,847)
C20H20N4O5S

>  <MolWeight> (1,847)
428.4616

>  <Cat> (1,847)
P3489

>  <Name> (1,847)
WAY-636900

>  <Synonyms> (1,847)
N/A

>  <Target> (1,847)
Aurora kinase A

>  <Form> (1,847)
free base

>  <CAS> (1,847)
792965-51-6

>  <URL> (1,847)
N/A

$$$$
WAY-636982
csChFnd80/02252511162D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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  6  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,848)
1966

>  <Formula> (1,848)
C10H14N2O4

>  <MolWeight> (1,848)
226.22916

>  <Cat> (1,848)
P3490

>  <Name> (1,848)
WAY-636982

>  <Synonyms> (1,848)
N/A

>  <Target> (1,848)
Aurora kinase A

>  <Form> (1,848)
free base

>  <CAS> (1,848)
834-45-7

>  <URL> (1,848)
N/A

$$$$
WAY-637081
csChFnd80/02252511162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  6  1  0  0  0  0
 22 13  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 17 18  2  0  0  0  0
 10 13  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,849)
1967

>  <Formula> (1,849)
C17H11ClN4O2

>  <MolWeight> (1,849)
338.74784

>  <Cat> (1,849)
P3491

>  <Name> (1,849)
WAY-637081

>  <Synonyms> (1,849)
N/A

>  <Target> (1,849)
VEGFR2,Casein kinase 1d

>  <Form> (1,849)
free base

>  <CAS> (1,849)
793722-88-0

>  <URL> (1,849)
N/A

$$$$
WAY-637493
csChFnd80/02252511162D

 25 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
  4  8  1  0  0  0  0
 12 11  2  0  0  0  0
 24 25  1  0  0  0  0
 14 13  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,850)
1968

>  <Formula> (1,850)
C18H14N4O3

>  <MolWeight> (1,850)
334.32876

>  <Cat> (1,850)
P3492

>  <Name> (1,850)
WAY-637493

>  <Synonyms> (1,850)
N/A

>  <Target> (1,850)
Fyn

>  <Form> (1,850)
free base

>  <CAS> (1,850)
791600-64-1

>  <URL> (1,850)
N/A

$$$$
WAY-637845
csChFnd80/02252511162D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10 12  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 11 10  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,851)
1969

>  <Formula> (1,851)
C10H10INO

>  <MolWeight> (1,851)
287.09697

>  <Cat> (1,851)
P3493

>  <Name> (1,851)
WAY-637845

>  <Synonyms> (1,851)
N/A

>  <Target> (1,851)
others

>  <Form> (1,851)
free base

>  <CAS> (1,851)
794539-14-3

>  <URL> (1,851)
N/A

$$$$
WAY-655860
csChFnd80/02252511162D

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    4.7286   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,852)
1970

>  <Formula> (1,852)
C13H11N3S

>  <MolWeight> (1,852)
241.31154

>  <Cat> (1,852)
P3520

>  <Name> (1,852)
WAY-655860

>  <Synonyms> (1,852)
N/A

>  <Target> (1,852)
B-Raf

>  <Form> (1,852)
free base

>  <CAS> (1,852)
63895-45-4

>  <URL> (1,852)
N/A

$$$$
WAY-655978
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.7250   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 16  2  0  0  0  0
 14 12  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  7  3  2  0  0  0  0
 13 15  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,853)
1971

>  <Formula> (1,853)
C16H12ClN3OS

>  <MolWeight> (1,853)
329.80398

>  <Cat> (1,853)
P3521

>  <Name> (1,853)
WAY-655978

>  <Synonyms> (1,853)
N/A

>  <Target> (1,853)
ROCK, ERK, GSK, and AGC

>  <Form> (1,853)
free base

>  <CAS> (1,853)
692869-98-0

>  <URL> (1,853)
N/A

$$$$
WAY-656283
csChFnd80/02252511162D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.6333   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2125    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9 16  2  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
  4  6  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,854)
1972

>  <Formula> (1,854)
C12H11NO3S

>  <MolWeight> (1,854)
249.28564

>  <Cat> (1,854)
P3522

>  <Name> (1,854)
WAY-656283

>  <Synonyms> (1,854)
N/A

>  <Target> (1,854)
p38

>  <Form> (1,854)
free base

>  <CAS> (1,854)
263270-62-8

>  <URL> (1,854)
N/A

$$$$
WAY-656935
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9000    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12 16  2  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
  7  3  2  0  0  0  0
 12 15  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,855)
1973

>  <Formula> (1,855)
C17H15N3O2S

>  <MolWeight> (1,855)
325.3849

>  <Cat> (1,855)
P3523

>  <Name> (1,855)
WAY-656935

>  <Synonyms> (1,855)
N/A

>  <Target> (1,855)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,855)
free base

>  <CAS> (1,855)
852902-81-9

>  <URL> (1,855)
N/A

$$$$
WAY-657460
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0333    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 12  2  0  0  0  0
 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  1  0  0  0  0
  6  3  2  0  0  0  0
 10 17  2  0  0  0  0
 22 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,856)
1974

>  <Formula> (1,856)
C17H15N3O2S

>  <MolWeight> (1,856)
325.3849

>  <Cat> (1,856)
P3524

>  <Name> (1,856)
WAY-657460

>  <Synonyms> (1,856)
N/A

>  <Target> (1,856)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,856)
free base

>  <CAS> (1,856)
853325-19-6

>  <URL> (1,856)
N/A

$$$$
WAY-323534
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.2375   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1792   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8167   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19  8  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  7  9  2  0  0  0  0
  3  4  1  0  0  0  0
 15 18  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,857)
1975

>  <Formula> (1,857)
C20H16ClN3O

>  <MolWeight> (1,857)
349.81354

>  <Cat> (1,857)
P3339

>  <Name> (1,857)
WAY-323534

>  <Synonyms> (1,857)
N/A

>  <Target> (1,857)
PASK

>  <Form> (1,857)
free base

>  <CAS> (1,857)
854040-96-3

>  <URL> (1,857)
N/A

$$$$
WAY-323878-A
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  2  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 16  1  0  0  0  0
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  4  5  1  0  0  0  0
 19 18  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,858)
1976

>  <Formula> (1,858)
C16H14N2O

>  <MolWeight> (1,858)
250.29516

>  <Cat> (1,858)
P3340

>  <Name> (1,858)
WAY-323878-A

>  <Synonyms> (1,858)
N/A

>  <Target> (1,858)
CDK

>  <Form> (1,858)
free base

>  <CAS> (1,858)
1185726-51-5

>  <URL> (1,858)
N/A

$$$$
WAY-323879
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   12.5667    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
  4  5  1  0  0  0  0
 18 17  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,859)
1977

>  <Formula> (1,859)
C15H14N2O

>  <MolWeight> (1,859)
238.28446

>  <Cat> (1,859)
P3341

>  <Name> (1,859)
WAY-323879

>  <Synonyms> (1,859)
N/A

>  <Target> (1,859)
CDK

>  <Form> (1,859)
free base

>  <CAS> (1,859)
685097-43-2

>  <URL> (1,859)
N/A

$$$$
WAY-324418
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   -0.8625    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1458   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
  7  5  2  0  0  0  0
  6  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,860)
1978

>  <Formula> (1,860)
C11H10N4O2S

>  <MolWeight> (1,860)
262.2877

>  <Cat> (1,860)
P3342

>  <Name> (1,860)
WAY-324418

>  <Synonyms> (1,860)
N/A

>  <Target> (1,860)
Anti-infection

>  <Form> (1,860)
free base

>  <CAS> (1,860)
681838-49-3

>  <URL> (1,860)
N/A

$$$$
WAY-324420
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   -1.4500   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,861)
1979

>  <Formula> (1,861)
C12H12N4O2S

>  <MolWeight> (1,861)
276.31428

>  <Cat> (1,861)
P3343

>  <Name> (1,861)
WAY-324420

>  <Synonyms> (1,861)
N/A

>  <Target> (1,861)
Anti-infection

>  <Form> (1,861)
free base

>  <CAS> (1,861)
681838-50-6

>  <URL> (1,861)
N/A

$$$$
WAY-324709
csChFnd80/02252511162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,862)
1980

>  <Formula> (1,862)
C15H9FN2O3

>  <MolWeight> (1,862)
284.2419632

>  <Cat> (1,862)
P3344

>  <Name> (1,862)
WAY-324709

>  <Synonyms> (1,862)
N/A

>  <Target> (1,862)
ATP-kinase

>  <Form> (1,862)
free base

>  <CAS> (1,862)
69785-85-9

>  <URL> (1,862)
N/A

$$$$
WAY-325065
csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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  5  2  1  0  0  0  0
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  7 11  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
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 16 12  1  0  0  0  0
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  4  5  2  0  0  0  0
 19 22  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,863)
1981

>  <Formula> (1,863)
C16H17N7S

>  <MolWeight> (1,863)
339.41808

>  <Cat> (1,863)
P3345

>  <Name> (1,863)
WAY-325065

>  <Synonyms> (1,863)
N/A

>  <Target> (1,863)
MtSk

>  <Form> (1,863)
free base

>  <CAS> (1,863)
689762-76-3

>  <URL> (1,863)
N/A

$$$$
WAY-325185
csChFnd80/02252511162D

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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 13 18  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
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 25 20  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,864)
1982

>  <Formula> (1,864)
C17H21N5O3

>  <MolWeight> (1,864)
343.38034

>  <Cat> (1,864)
P3346

>  <Name> (1,864)
WAY-325185

>  <Synonyms> (1,864)
N/A

>  <Target> (1,864)
VEGFR

>  <Form> (1,864)
free base

>  <CAS> (1,864)
342785-98-2

>  <URL> (1,864)
N/A

$$$$
WAY-606344
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10 18  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
  5  4  2  0  0  0  0
 13 14  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,865)
1987

>  <Formula> (1,865)
C14H8ClN3O2

>  <MolWeight> (1,865)
285.68522

>  <Cat> (1,865)
P3437

>  <Name> (1,865)
WAY-606344

>  <Synonyms> (1,865)
N/A

>  <Target> (1,865)
Casein kinase 1d

>  <Form> (1,865)
free base

>  <CAS> (1,865)
380423-28-9

>  <URL> (1,865)
N/A

$$$$
WAY-606954
csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  9 10  2  0  0  0  0
  3  5  1  0  0  0  0
  7 13  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,866)
1988

>  <Formula> (1,866)
C18H20N4O

>  <MolWeight> (1,866)
308.3776

>  <Cat> (1,866)
P3438

>  <Name> (1,866)
WAY-606954

>  <Synonyms> (1,866)
N/A

>  <Target> (1,866)
GSK3

>  <Form> (1,866)
free base

>  <CAS> (1,866)
748145-12-2

>  <URL> (1,866)
N/A

$$$$
WAY-606956
csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
  9 10  2  0  0  0  0
  3  5  1  0  0  0  0
  7 13  1  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,867)
1989

>  <Formula> (1,867)
C18H20N4O

>  <MolWeight> (1,867)
308.3776

>  <Cat> (1,867)
P3439

>  <Name> (1,867)
WAY-606956

>  <Synonyms> (1,867)
N/A

>  <Target> (1,867)
GSK3

>  <Form> (1,867)
free base

>  <CAS> (1,867)
748145-19-9

>  <URL> (1,867)
N/A

$$$$
WAY-606957
csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 20  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
  9 10  2  0  0  0  0
  3  4  2  0  0  0  0
 21 16  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,868)
1990

>  <Formula> (1,868)
C18H20N4O

>  <MolWeight> (1,868)
308.3776

>  <Cat> (1,868)
P3440

>  <Name> (1,868)
WAY-606957

>  <Synonyms> (1,868)
N/A

>  <Target> (1,868)
GSK3

>  <Form> (1,868)
free base

>  <CAS> (1,868)
1062138-03-7

>  <URL> (1,868)
N/A

$$$$
WAY-606958
csChFnd80/02252511162D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 20  1  0  0  0  0
 24 15  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
  4  9  2  0  0  0  0
 10  8  2  0  0  0  0
 16 18  2  0  0  0  0
 29 27  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,869)
1991

>  <Formula> (1,869)
C23H23N5O

>  <MolWeight> (1,869)
385.46162

>  <Cat> (1,869)
P3441

>  <Name> (1,869)
WAY-606958

>  <Synonyms> (1,869)
N/A

>  <Target> (1,869)
Casein kinase 1¦Ä

>  <Form> (1,869)
free base

>  <CAS> (1,869)
882220-11-3

>  <URL> (1,869)
N/A

$$$$
WAY-297629
csChFnd80/02252511162D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   -0.0724    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    1.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1724   -0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,870)
1992

>  <Formula> (1,870)
C21H18N2O3

>  <MolWeight> (1,870)
346.37922

>  <Cat> (1,870)
P3299

>  <Name> (1,870)
WAY-297629

>  <Synonyms> (1,870)
N/A

>  <Target> (1,870)
VEGFR2

>  <Form> (1,870)
free base

>  <CAS> (1,870)
371213-22-8

>  <URL> (1,870)
N/A

$$$$
GI-569525
csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    1.5030   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,871)
1993

>  <Formula> (1,871)
C18H17NO4S

>  <MolWeight> (1,871)
343.39688

>  <Cat> (1,871)
P3260

>  <Name> (1,871)
GI-569525

>  <Synonyms> (1,871)
N/A

>  <Target> (1,871)
Anti-infection

>  <Form> (1,871)
free base

>  <CAS> (1,871)
96334-43-9

>  <URL> (1,871)
N/A

$$$$
WAY-298041
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7138   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5310    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,872)
1994

>  <Formula> (1,872)
C17H15N3O2

>  <MolWeight> (1,872)
293.3199

>  <Cat> (1,872)
P3300

>  <Name> (1,872)
WAY-298041

>  <Synonyms> (1,872)
N/A

>  <Target> (1,872)
c-Met

>  <Form> (1,872)
free base

>  <CAS> (1,872)
299405-67-7

>  <URL> (1,872)
N/A

$$$$
WAY-298350
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6620   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -7.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -3.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  3  2  0  0  0  0
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 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,873)
1995

>  <Formula> (1,873)
C17H17NO3

>  <MolWeight> (1,873)
283.32178

>  <Cat> (1,873)
P3301

>  <Name> (1,873)
WAY-298350

>  <Synonyms> (1,873)
N/A

>  <Target> (1,873)
A kinase anchor protein/protein kinase A int

>  <Form> (1,873)
free base

>  <CAS> (1,873)
304888-67-3

>  <URL> (1,873)
N/A

$$$$
WAY-298516
csChFnd80/02252511162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    1.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    1.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -1.4507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0848    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -2.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    3.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9876   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -2.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2393   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6048   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,874)
1996

>  <Formula> (1,874)
C14H13ClN2O3

>  <MolWeight> (1,874)
292.71762

>  <Cat> (1,874)
P3302

>  <Name> (1,874)
WAY-298516

>  <Synonyms> (1,874)
N/A

>  <Target> (1,874)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,874)
free base

>  <CAS> (1,874)
103056-35-5

>  <URL> (1,874)
N/A

$$$$
WAY-298668
csChFnd80/02252511162D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690   -0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.0276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4310   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,875)
1997

>  <Formula> (1,875)
C22H23N5O3

>  <MolWeight> (1,875)
405.44972

>  <Cat> (1,875)
P3303

>  <Name> (1,875)
WAY-298668

>  <Synonyms> (1,875)
N/A

>  <Target> (1,875)
Aurora-A,JAMM protease

>  <Form> (1,875)
free base

>  <CAS> (1,875)
371224-09-8

>  <URL> (1,875)
N/A

$$$$
WAY-607324
csChFnd80/02252511162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6042   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
  3  5  1  0  0  0  0
 17 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,876)
1998

>  <Formula> (1,876)
C13H8N2O2S2

>  <MolWeight> (1,876)
288.34482

>  <Cat> (1,876)
P3442

>  <Name> (1,876)
WAY-607324

>  <Synonyms> (1,876)
N/A

>  <Target> (1,876)
Mcl-1,ASK1

>  <Form> (1,876)
free base

>  <CAS> (1,876)
1427537-92-5

>  <URL> (1,876)
N/A

$$$$
WAY-607500
csChFnd80/02252511162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.1750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  5  3  1  0  0  0  0
  8 12  1  0  0  0  0
 23 19  2  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,877)
1999

>  <Formula> (1,877)
C19H18N2O2

>  <MolWeight> (1,877)
306.35842

>  <Cat> (1,877)
P3443

>  <Name> (1,877)
WAY-607500

>  <Synonyms> (1,877)
N/A

>  <Target> (1,877)
VEGFR

>  <Form> (1,877)
free base

>  <CAS> (1,877)
186610-88-8

>  <URL> (1,877)
N/A

$$$$
WAY-607777
csChFnd80/02252511162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3042    0.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    1.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 20  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,878)
2000

>  <Formula> (1,878)
C16H12ClN3O2S2

>  <MolWeight> (1,878)
377.86838

>  <Cat> (1,878)
P3445

>  <Name> (1,878)
WAY-607777

>  <Synonyms> (1,878)
N/A

>  <Target> (1,878)
Casein kinase 1d

>  <Form> (1,878)
free base

>  <CAS> (1,878)
522626-08-0

>  <URL> (1,878)
N/A

$$$$
WAY-619275
csChFnd80/02252511162D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.9167    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,879)
2001

>  <Formula> (1,879)
C12H11N5O

>  <MolWeight> (1,879)
241.24864

>  <Cat> (1,879)
P3457

>  <Name> (1,879)
WAY-619275

>  <Synonyms> (1,879)
N/A

>  <Target> (1,879)
Plk1 kinase,EphB2

>  <Form> (1,879)
free base

>  <CAS> (1,879)
73663-97-5

>  <URL> (1,879)
N/A

$$$$
WAY-620099
csChFnd80/02252511162D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5875    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.7458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
  4  5  1  0  0  0  0
 20 19  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,880)
2002

>  <Formula> (1,880)
C15H12ClN3S

>  <MolWeight> (1,880)
301.79388

>  <Cat> (1,880)
P3459

>  <Name> (1,880)
WAY-620099

>  <Synonyms> (1,880)
N/A

>  <Target> (1,880)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,880)
free base

>  <CAS> (1,880)
128277-24-7

>  <URL> (1,880)
N/A

$$$$
WAY-620147
csChFnd80/02252511162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.1537   -0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525   -0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715   -1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -0.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348    0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164   -0.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4438    0.1995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9599    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4809    0.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -1.6020    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,881)
2003

>  <Formula> (1,881)
C12H16BrN3O2

>  <MolWeight> (1,881)
314.17834

>  <Cat> (1,881)
P3460

>  <Name> (1,881)
WAY-620147

>  <Synonyms> (1,881)
N/A

>  <Target> (1,881)
monoamine oxidase a

>  <Form> (1,881)
free base

>  <CAS> (1,881)
515866-67-8

>  <URL> (1,881)
N/A

$$$$
WAY-638641
csChFnd80/02252511162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.9125   -1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8042   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10 21  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
 16 25  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,882)
2004

>  <Formula> (1,882)
C16H17N3O5S

>  <MolWeight> (1,882)
363.38828

>  <Cat> (1,882)
P3494

>  <Name> (1,882)
WAY-638641

>  <Synonyms> (1,882)
N/A

>  <Target> (1,882)
Aurora kinase A

>  <Form> (1,882)
free base

>  <CAS> (1,882)
796068-62-7

>  <URL> (1,882)
N/A

$$$$
WAY-638796
csChFnd80/02252511162D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.4500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.4542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,883)
2005

>  <Formula> (1,883)
C14H10ClN3S

>  <MolWeight> (1,883)
287.7673

>  <Cat> (1,883)
P3495

>  <Name> (1,883)
WAY-638796

>  <Synonyms> (1,883)
N/A

>  <Target> (1,883)
tyrosine kinase

>  <Form> (1,883)
free base

>  <CAS> (1,883)
796067-64-6

>  <URL> (1,883)
N/A

$$$$
WAY-639405
csChFnd80/02252511162D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.9917    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5750    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8625    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
  8  9  2  0  0  0  0
  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
 13 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,884)
2006

>  <Formula> (1,884)
C21H18N4O2S

>  <MolWeight> (1,884)
390.45822

>  <Cat> (1,884)
P3496

>  <Name> (1,884)
WAY-639405

>  <Synonyms> (1,884)
N/A

>  <Target> (1,884)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,884)
free base

>  <CAS> (1,884)
796052-04-5

>  <URL> (1,884)
N/A

$$$$
WAY-658513
csChFnd80/02252511162D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -3.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -1.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1125   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 21  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
  8  3  2  0  0  0  0
 14 20  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,885)
2007

>  <Formula> (1,885)
C16H11ClFN3OS

>  <MolWeight> (1,885)
347.7944432

>  <Cat> (1,885)
P3526

>  <Name> (1,885)
WAY-658513

>  <Synonyms> (1,885)
N/A

>  <Target> (1,885)
ROCK, ERK, GSK, and AGC

>  <Form> (1,885)
free base

>  <CAS> (1,885)
692870-25-0

>  <URL> (1,885)
N/A

$$$$
WAY-326250
csChFnd80/02252511162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.0667   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7042   -8.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -6.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -8.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -7.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -3.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4125   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -7.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,886)
2008

>  <Formula> (1,886)
C15H13N5OS

>  <MolWeight> (1,886)
311.36162

>  <Cat> (1,886)
P3351

>  <Name> (1,886)
WAY-326250

>  <Synonyms> (1,886)
N/A

>  <Target> (1,886)
shikimate kinase

>  <Form> (1,886)
free base

>  <CAS> (1,886)
869872-13-9

>  <URL> (1,886)
N/A

$$$$
WAY-326542
csChFnd80/02252511162D

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.6667   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -10.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6667   -9.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2042   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -11.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667  -12.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500  -12.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
  5  2  1  0  0  0  0
 13 11  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,887)
2009

>  <Formula> (1,887)
C16H15NO3S

>  <MolWeight> (1,887)
301.3602

>  <Cat> (1,887)
P3352

>  <Name> (1,887)
WAY-326542

>  <Synonyms> (1,887)
N/A

>  <Target> (1,887)
CDK5/p25

>  <Form> (1,887)
free base

>  <CAS> (1,887)
870983-04-3

>  <URL> (1,887)
N/A

$$$$
WAY-326578
csChFnd80/02252511162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6415   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415   -0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6665    0.6676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415   -3.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790   -0.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540    0.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415   -3.8199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9585   -3.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040    2.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710   -0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -3.8324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290    2.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2585   -3.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415    3.4551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710   -3.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6335    4.7551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6415    3.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8960   -0.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1210    4.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    6.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 21  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
  7  3  1  0  0  0  0
  6  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,888)
2010

>  <Formula> (1,888)
C16H16N2O3S

>  <MolWeight> (1,888)
316.37484

>  <Cat> (1,888)
P3353

>  <Name> (1,888)
WAY-326578

>  <Synonyms> (1,888)
N/A

>  <Target> (1,888)
GSK-3b

>  <Form> (1,888)
free base

>  <CAS> (1,888)
870984-34-2

>  <URL> (1,888)
N/A

$$$$
