ABT-888(Veliparib).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (1)
3

>  <Formula> (1)
C13H16N4O

>  <MolWeight> (1)
244.29234

>  <Cat> (1)
S1004

>  <Name> (1)
Veliparib (ABT-888)

>  <Synonyms> (1)
NSC 737664

>  <Target> (1)
Apoptosis related,Autophagy,PARP

>  <Form> (1)
free base

>  <CAS> (1)
912444-00-9

>  <URL> (1)
http://selleckchem.com/products/ABT-888.html

$$$$
azd6244.cdx
csChFnd80/06012611192D

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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (2)
6

>  <Formula> (2)
C17H15BrClFN4O3

>  <MolWeight> (2)
457.6814032

>  <Cat> (2)
S1008

>  <Name> (2)
Selumetinib (AZD6244)

>  <Synonyms> (2)
ARRY-142886

>  <Target> (2)
Apoptosis related,MEK

>  <Form> (2)
free base

>  <CAS> (2)
606143-52-6

>  <URL> (2)
http://selleckchem.com/products/AZD6244.html

$$$$
untitled.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (3)
10

>  <Formula> (3)
C25H27FN4O3

>  <MolWeight> (3)
450.5052832

>  <Cat> (3)
S1017

>  <Name> (3)
Cediranib (AZD2171)

>  <Synonyms> (3)
NSC-732208

>  <Target> (3)
Autophagy,c-Kit,PDGFR,VEGFR

>  <Form> (3)
free base

>  <CAS> (3)
288383-20-0

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

$$$$
CI1040.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (4)
11

>  <Formula> (4)
C17H14ClF2IN2O2

>  <MolWeight> (4)
478.6595364

>  <Cat> (4)
S1020

>  <Name> (4)
PD184352 (CI-1040)

>  <Synonyms> (4)
N/A

>  <Target> (4)
Apoptosis related,MEK

>  <Form> (4)
free base

>  <CAS> (4)
212631-79-3

>  <URL> (4)
http://selleckchem.com/products/CI-1040-(PD184352).html

$$$$
untitled.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (5)
23

>  <Formula> (5)
C16H14F3IN2O4

>  <MolWeight> (5)
482.1930396

>  <Cat> (5)
S1036

>  <Name> (5)
Mirdametinib (PD0325901)

>  <Synonyms> (5)
N/A

>  <Target> (5)
MEK

>  <Form> (5)
free base

>  <CAS> (5)
391210-10-9

>  <URL> (5)
http://selleckchem.com/products/PD-0325901.html

$$$$
untitled.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (6)
32

>  <Formula> (6)
C23H28N8OS

>  <MolWeight> (6)
464.58642

>  <Cat> (6)
S1048

>  <Name> (6)
Tozasertib

>  <Synonyms> (6)
VX-680, MK-0457

>  <Target> (6)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (6)
free base

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

>  <URL> (6)
http://selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (7)
33

>  <Formula> (7)
C14H23Cl2N3O

>  <MolWeight> (7)
320.25792

>  <Cat> (7)
S1049

>  <Name> (7)
Y-27632 2HCl

>  <Synonyms> (7)
N/A

>  <Target> (7)
Autophagy,ROCK

>  <Form> (7)
Dihydrochloride

>  <CAS> (7)
129830-38-2

>  <URL> (7)
http://selleckchem.com/products/Y-27632.html

$$$$
AZD2281.cdx
csChFnd80/06012611192D

 32 36  0  0  0  0  0  0  0  0999 V2000
   10.8867    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (8)
38

>  <Formula> (8)
C24H23FN4O3

>  <MolWeight> (8)
434.4628232

>  <Cat> (8)
S1060

>  <Name> (8)
Olaparib (AZD2281)

>  <Synonyms> (8)
Ku-0059436

>  <Target> (8)
Autophagy,Mitophagy,PARP

>  <Form> (8)
free base

>  <CAS> (8)
763113-22-0

>  <URL> (8)
http://selleckchem.com/products/AZD2281(Olaparib).html

$$$$
untitled.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (9)
42

>  <Formula> (9)
C22H16N4O3

>  <MolWeight> (9)
384.38744

>  <Cat> (9)
S1067

>  <Name> (9)
SB431542

>  <Synonyms> (9)
N/A

>  <Target> (9)
TGF-beta/Smad

>  <Form> (9)
free base

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

>  <URL> (9)
http://selleckchem.com/products/SB-431542.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (10)
48

>  <Formula> (10)
C25H23Cl2N5O

>  <MolWeight> (10)
480.38902

>  <Cat> (10)
S1078

>  <Name> (10)
MK-2206 2HCl

>  <Synonyms> (10)
N/A

>  <Target> (10)
Akt,Apoptosis related,Autophagy

>  <Form> (10)
Dihydrochloride

>  <CAS> (10)
1032350-13-2

>  <URL> (10)
http://selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (11)
56

>  <Formula> (11)
C21H17NO3S2

>  <MolWeight> (11)
395.49458

>  <Cat> (11)
S1092

>  <Name> (11)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (11)
N/A

>  <Target> (11)
ATM/ATR,Autophagy,ULK

>  <Form> (11)
free base

>  <CAS> (11)
587871-26-9

>  <URL> (11)
http://selleckchem.com/products/KU-55933.html

$$$$
untitled.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (12)
57

>  <Formula> (12)
C44H47F2N9O5S

>  <MolWeight> (12)
851.9630864

>  <Cat> (12)
S1093

>  <Name> (12)
GSK1904529A

>  <Synonyms> (12)
GSK 4529

>  <Target> (12)
IGF-1R

>  <Form> (12)
free base

>  <CAS> (12)
1089283-49-7

>  <URL> (12)
http://selleckchem.com/products/GSK1904529A.html

$$$$
untitled.cdx
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c-Met

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free base

>  <CAS> (13)
956905-27-4

>  <URL> (13)
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S1109

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BI 2536

>  <Synonyms> (14)
N/A

>  <Target> (14)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Myc,PLK

>  <Form> (14)
free base

>  <CAS> (14)
755038-02-9

>  <URL> (14)
http://selleckchem.com/products/BI-2536.html

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untitled.cdx
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>  <Mol_ID> (15)
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JNJ-38877605

>  <Synonyms> (15)
N/A

>  <Target> (15)
c-Met

>  <Form> (15)
free base

>  <CAS> (15)
943540-75-8

>  <URL> (15)
http://selleckchem.com/products/JNJ-38877605.html

$$$$
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>  <Mol_ID> (16)
77

>  <Formula> (16)
C25H24ClN7OS

>  <MolWeight> (16)
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>  <Cat> (16)
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>  <Name> (16)
SRT1720 HCl

>  <Synonyms> (16)
N/A

>  <Target> (16)
Autophagy,Sirtuin

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
1001645-58-4

>  <URL> (16)
http://selleckchem.com/products/SRT1720.html

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    4.7898    2.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276    2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9391    4.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5547    5.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285    4.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391    3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391    4.9372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391    6.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    6.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432    6.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9054    6.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8791    5.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1907    4.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460    6.3824    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7367    7.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1367    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367    6.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    6.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9367    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9343    4.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3318    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0294    8.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0294    6.1497    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
  4  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
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  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  2  0  0  0  0
 20 14  1  0  0  0  0
 15 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 16  1  0  0  0  0
 23 25  1  0  0  0  0
 19 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
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
>  <Mol_ID> (17)
79

>  <Formula> (17)
C27H20ClFN4O4

>  <MolWeight> (17)
518.9235032

>  <Cat> (17)
S1133

>  <Name> (17)
Alisertib (MLN8237)

>  <Synonyms> (17)
N/A

>  <Target> (17)
Apoptosis related,Aurora Kinase,Autophagy

>  <Form> (17)
free base

>  <CAS> (17)
1028486-01-2

>  <URL> (17)
http://selleckchem.com/products/MLN8237.html

$$$$
untitled.cdx
csChFnd80/06012611192D

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    7.2831   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   12.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   14.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  2  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
    4.8497    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  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  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  1  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    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7210    5.8854    0.0000 C   0  0  2  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
   10.9119    1.4000    0.0000 C   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
   12.1243    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0780    6.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9717    7.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5764    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0780    7.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656    8.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656    9.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0780   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6532   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6532   11.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4407    9.7587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.3976    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  2  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
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  2 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
 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
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41  4  1  0  0  0  0
  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> (18)
83

>  <Formula> (18)
C31H43N3O8

>  <MolWeight> (18)
585.68842

>  <Cat> (18)
S1141

>  <Name> (18)
Tanespimycin (17-AAG)

>  <Synonyms> (18)
CP127374, NSC-330507, KOS 953

>  <Target> (18)
Apoptosis related,Autophagy,HSP (HSP90),Mitophagy

>  <Form> (18)
free base

>  <CAS> (18)
75747-14-7

>  <URL> (18)
http://selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
untitled.cdx
csChFnd80/06012611192D

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.6658    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658    7.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   10.8783    9.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    6.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    7.6410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    9.7410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.6577    3.4560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0271    3.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7271    4.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7903    5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1146    4.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9346    3.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3221    3.5403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3672    2.1199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1422    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    9.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    9.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   11.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   11.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7880    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3574    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5345    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7449    1.5711    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
  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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  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
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
  1 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  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 21 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 21  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (19)
89

>  <Formula> (19)
C26H30FN7O3

>  <MolWeight> (19)
507.5599032

>  <Cat> (19)
S1147

>  <Name> (19)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (19)
AZD2811, INH-34, Barasertib-HQPA , Defosbarasertib

>  <Target> (19)
Aurora Kinase

>  <Form> (19)
free base

>  <CAS> (19)
722544-51-6

>  <URL> (19)
http://selleckchem.com/products/AZD1152-HQPA.html

$$$$
CP-724,714.cdx
csChFnd80/06012611192D

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   10.8782    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5156    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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537705-08-1

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http://selleckchem.com/products/CP-724714.html

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PI3K

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free base

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663619-89-4

>  <URL> (21)
http://selleckchem.com/products/TGX-221.html

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EGFR

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free base

>  <CAS> (22)
1214265-56-1

>  <URL> (22)
http://selleckchem.com/products/WZ3146.html

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EGFR

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   13.3157    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
  4 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
 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
 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
 29 30  1  0  0  0  0
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 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (24)
107

>  <Formula> (24)
C24H25ClN6OS

>  <MolWeight> (24)
481.0129

>  <Cat> (24)
S1179

>  <Name> (24)
WZ8040

>  <Synonyms> (24)
N/A

>  <Target> (24)
EGFR

>  <Form> (24)
free base

>  <CAS> (24)
1214265-57-2

>  <URL> (24)
http://selleckchem.com/products/WZ8040.html

$$$$
BIBR1532.cdx
csChFnd80/06012611192D

 25 27  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 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
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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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   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 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 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 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
  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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
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 22 17  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (25)
112

>  <Formula> (25)
C21H17NO3

>  <MolWeight> (25)
331.36458

>  <Cat> (25)
S1186

>  <Name> (25)
BIBR 1532

>  <Synonyms> (25)
N/A

>  <Target> (25)
Apoptosis related,Telomerase

>  <Form> (25)
free base

>  <CAS> (25)
321674-73-1

>  <URL> (25)
http://selleckchem.com/products/BIBR1532.html

$$$$
Aprepitant.cdx
csChFnd80/06012611192D

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   11.0583    4.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971    2.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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    2.4249    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
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  1  5  2  0  0  0  0
  3  6  2  0  0  0  0
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  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
  8 13  1  0  0  0  0
  7 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
  9 14  1  6  0  0  0
 22 23  1  1  0  0  0
 21 22  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
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 28 30  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 26 34  1  0  0  0  0
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  8 21  1  6  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (26)
114

>  <Formula> (26)
C23H21F7N4O3

>  <MolWeight> (26)
534.4266624

>  <Cat> (26)
S1189

>  <Name> (26)
Aprepitant (MK-0869)

>  <Synonyms> (26)
MK-0869, L-754030, Emend

>  <Target> (26)
CSF-1R,HIV,Interleukins,Neurokinin Receptor,TNF-alpha

>  <Form> (26)
free base

>  <CAS> (26)
170729-80-3

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

$$$$
KU-0063794.cdx
csChFnd80/06012611192D

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 19 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  2  0  0  0  0
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M  END
>  <Mol_ID> (27)
134

>  <Formula> (27)
C25H31N5O4

>  <MolWeight> (27)
465.54474

>  <Cat> (27)
S1226

>  <Name> (27)
KU-0063794

>  <Synonyms> (27)
N/A

>  <Target> (27)
mTOR

>  <Form> (27)
free base

>  <CAS> (27)
938440-64-3

>  <URL> (27)
http://selleckchem.com/products/KU-0063794.html

$$$$
PD173074.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (28)
155

>  <Formula> (28)
C28H41N7O3

>  <MolWeight> (28)
523.67024

>  <Cat> (28)
S1264

>  <Name> (28)
PD173074

>  <Synonyms> (28)
N/A

>  <Target> (28)
Apoptosis related,FGFR,VEGFR

>  <Form> (28)
free base

>  <CAS> (28)
219580-11-7

>  <URL> (28)
http://selleckchem.com/products/PD-173074.html

$$$$
WYE-354.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (29)
156

>  <Formula> (29)
C24H29N7O5

>  <MolWeight> (29)
495.53096

>  <Cat> (29)
S1266

>  <Name> (29)
WYE-354

>  <Synonyms> (29)
N/A

>  <Target> (29)
mTOR

>  <Form> (29)
free base

>  <CAS> (29)
1062169-56-5

>  <URL> (29)
http://selleckchem.com/products/WYE-354.html

$$$$
PLX-4032.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (30)
157

>  <Formula> (30)
C23H18ClF2N3O3S

>  <MolWeight> (30)
489.9221264

>  <Cat> (30)
S1267

>  <Name> (30)
Vemurafenib (PLX4032)

>  <Synonyms> (30)
RG7204, RO5185426,PLX4032

>  <Target> (30)
Autophagy,Raf

>  <Form> (30)
free base

>  <CAS> (30)
918504-65-1

>  <URL> (30)
http://selleckchem.com/products/PLX-4032.html

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/06012611192D

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 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
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 24 31  1  0  0  0  0
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 35 39  1  0  0  0  0
 12 35  1  0  0  0  0
M  END
>  <Mol_ID> (31)
198

>  <Formula> (31)
C30H24N4O8

>  <MolWeight> (31)
568.53356

>  <Cat> (31)
S3057

>  <Name> (31)
Azilsartan Medoxomil

>  <Synonyms> (31)
TAK-491

>  <Target> (31)
Angiotensin Receptor

>  <Form> (31)
free base

>  <CAS> (31)
863031-21-4

>  <URL> (31)
http://selleckchem.com/products/azilsartan-medoxomil-tak-491.html

$$$$
Medetomidine hcl.cdx
csChFnd80/06012611192D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.9215    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0258    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8172    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6952    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  8  2  2  0  0  0  0
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 11  4  1  0  0  0  0
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 15  9  1  0  0  0  0
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 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (32)
199

>  <Formula> (32)
C13H17ClN2

>  <MolWeight> (32)
236.74048

>  <Cat> (32)
S3060

>  <Name> (32)
Medetomidine HCl

>  <Synonyms> (32)
N/A

>  <Target> (32)
Adrenergic Receptor

>  <Form> (32)
HCl

>  <CAS> (32)
86347-15-1

>  <URL> (32)
http://selleckchem.com/products/medetomidine-hcl.html

$$$$
Prucalopride.cdx
csChFnd80/06012611192D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4288    8.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   11.2306    0.0000 Cl  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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 11  3  2  0  0  0  0
 19  4  1  0  0  0  0
  6  4  1  0  0  0  0
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 13  6  1  0  0  0  0
 18  7  1  0  0  0  0
 12  8  1  0  0  0  0
  9 17  1  0  0  0  0
 21  9  1  0  0  0  0
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 20 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
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 22 21  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (33)
200

>  <Formula> (33)
C18H26ClN3O3

>  <MolWeight> (33)
367.87034

>  <Cat> (33)
S2875

>  <Name> (33)
Prucalopride

>  <Synonyms> (33)
R-93877

>  <Target> (33)
5-HT Receptor

>  <Form> (33)
Free Base

>  <CAS> (33)
179474-81-8

>  <URL> (33)
http://selleckchem.com/products/prucalopride.html

$$$$
TG100-115.cdx
csChFnd80/06012611192D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6331    5.5927    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
    4.8455    3.4927    0.0000 N   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
    6.0580    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4927    0.0000 N   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
    8.4828    5.5927    0.0000 N   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
    9.6911    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 14 20  2  0  0  0  0
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 24 14  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (34)
223

>  <Formula> (34)
C18H14N6O2

>  <MolWeight> (34)
346.34276

>  <Cat> (34)
S1352

>  <Name> (34)
TG100-115

>  <Synonyms> (34)
N/A

>  <Target> (34)
PI3K

>  <Form> (34)
free base

>  <CAS> (34)
677297-51-7

>  <URL> (34)
http://selleckchem.com/products/TG100-115.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/06012611192D

 42 46  0  0  0  0  0  0  0  0999 V2000
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   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (35)
274

>  <Formula> (35)
C31H31ClFN7O2

>  <MolWeight> (35)
588.0749432

>  <Cat> (35)
S1451

>  <Name> (35)
Aurora A Inhibitor I (TC-S 7010)

>  <Synonyms> (35)
N/A

>  <Target> (35)
Apoptosis related,Aurora Kinase

>  <Form> (35)
free base

>  <CAS> (35)
1158838-45-9

>  <URL> (35)
http://selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/06012611192D

 37 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (36)
275

>  <Formula> (36)
C30H33ClN4O2

>  <MolWeight> (36)
517.06162

>  <Cat> (36)
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>  <Name> (36)
Ispinesib (SB-715992)

>  <Synonyms> (36)
CK0238273

>  <Target> (36)
Apoptosis related,Kinesin

>  <Form> (36)
free base

>  <CAS> (36)
336113-53-2

>  <URL> (36)
http://selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

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untitled.cdx
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>  <Mol_ID> (37)
279

>  <Formula> (37)
C19H16N6O4S

>  <MolWeight> (37)
424.43314

>  <Cat> (37)
S1456

>  <Name> (37)
Zibotentan (ZD4054)

>  <Synonyms> (37)
N/A

>  <Target> (37)
Endothelin Receptor

>  <Form> (37)
free base

>  <CAS> (37)
186497-07-4

>  <URL> (37)
http://selleckchem.com/products/Zibotentan(ZD4054).html

$$$$
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csChFnd80/06012611192D

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>  <Mol_ID> (38)
288

>  <Formula> (38)
C18H23FN2O5S

>  <MolWeight> (38)
398.4490232

>  <Cat> (38)
S1472

>  <Name> (38)
Safinamide Mesylate

>  <Synonyms> (38)
PNU-151774E,FCE28073

>  <Target> (38)
MAO

>  <Form> (38)
Mesylate

>  <CAS> (38)
202825-46-5

>  <URL> (38)
http://selleckchem.com/products/Safinamide-mesilate.html

$$$$
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csChFnd80/06012611192D

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>  <Mol_ID> (39)
289

>  <Formula> (39)
C21H16F4N4O2

>  <MolWeight> (39)
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>  <Cat> (39)
S1474

>  <Name> (39)
GSK429286A

>  <Synonyms> (39)
RHO-15

>  <Target> (39)
ROCK

>  <Form> (39)
free base

>  <CAS> (39)
864082-47-3

>  <URL> (39)
http://selleckchem.com/products/GSK429286A.html

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290

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>  <MolWeight> (40)
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>  <Cat> (40)
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>  <Name> (40)
Pimasertib (AS-703026)

>  <Synonyms> (40)
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>  <Target> (40)
MEK

>  <Form> (40)
free base

>  <CAS> (40)
1236699-92-5

>  <URL> (40)
http://selleckchem.com/products/AS703026.html

$$$$
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>  <Mol_ID> (41)
294

>  <Formula> (41)
C40H50N8O6

>  <MolWeight> (41)
738.875

>  <Cat> (41)
S1482

>  <Name> (41)
Daclatasvir (BMS-790052)

>  <Synonyms> (41)
EBP883

>  <Target> (41)
HCV Protease

>  <Form> (41)
free base

>  <CAS> (41)
1009119-64-5

>  <URL> (41)
http://selleckchem.com/products/BMS-790052.html

$$$$
CIALIS (tadalafil).cdx
csChFnd80/06012611192D

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>  <Mol_ID> (42)
308

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Tadalafil (IC351)

>  <Synonyms> (42)
IC351

>  <Target> (42)
PDE

>  <Form> (42)
free base

>  <CAS> (42)
171596-29-5

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

$$$$
MK-1775.cdx
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>  <Mol_ID> (43)
314

>  <Formula> (43)
C27H32N8O2

>  <MolWeight> (43)
500.59538

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S1525

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Adavosertib (MK-1775)

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AZD1775

>  <Target> (43)
Wee1

>  <Form> (43)
free base

>  <CAS> (43)
955365-80-7

>  <URL> (43)
http://selleckchem.com/products/MK-1775.html

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/06012611192D

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>  <Mol_ID> (44)
328

>  <Formula> (44)
C21H25ClO6

>  <MolWeight> (44)
408.8726

>  <Cat> (44)
S1548

>  <Name> (44)
Dapagliflozin (BMS-512148)

>  <Synonyms> (44)
BMS-512148

>  <Target> (44)
SGLT

>  <Form> (44)
free base

>  <CAS> (44)
461432-26-8

>  <URL> (44)
http://selleckchem.com/products/Dapagliflozin.html

$$$$
Pimobendan.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (45)
329

>  <Formula> (45)
C19H18N4O2

>  <MolWeight> (45)
334.37182

>  <Cat> (45)
S1550

>  <Name> (45)
Pimobendan

>  <Synonyms> (45)
UD-CG 115 BS

>  <Target> (45)
PDE

>  <Form> (45)
free base

>  <CAS> (45)
74150-27-9

>  <URL> (45)
http://selleckchem.com/products/Pimobendan(Vetmedin).html

$$$$
AZD 8055.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (46)
333

>  <Formula> (46)
C25H31N5O4

>  <MolWeight> (46)
465.54474

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S1555

>  <Name> (46)
AZD8055

>  <Synonyms> (46)
N/A

>  <Target> (46)
Apoptosis related,Autophagy,mTOR

>  <Form> (46)
free base

>  <CAS> (46)
1009298-09-2

>  <URL> (46)
http://selleckchem.com/products/AZD8055.html

$$$$
EX527.cdx
csChFnd80/06012611192D

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334

>  <Formula> (47)
C13H13ClN2O

>  <MolWeight> (47)
248.70812

>  <Cat> (47)
S1541

>  <Name> (47)
Selisistat (EX 527)

>  <Synonyms> (47)
SEN0014196

>  <Target> (47)
Sirtuin

>  <Form> (47)
free base

>  <CAS> (47)
49843-98-3

>  <URL> (47)
http://selleckchem.com/products/EX-527.html

$$$$
KU-60019.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (48)
344

>  <Formula> (48)
C30H33N3O5S

>  <MolWeight> (48)
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KU-60019

>  <Synonyms> (48)
N/A

>  <Target> (48)
ATM/ATR

>  <Form> (48)
free base

>  <CAS> (48)
925701-49-1

>  <URL> (48)
http://selleckchem.com/products/KU-60019.html

$$$$
BS-181.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (49)
345

>  <Formula> (49)
C22H33ClN6

>  <MolWeight> (49)
416.99062

>  <Cat> (49)
S1572

>  <Name> (49)
BS-181 HCl

>  <Synonyms> (49)
N/A

>  <Target> (49)
CDK

>  <Form> (49)
Hydrochloride

>  <CAS> (49)
1397219-81-6

>  <URL> (49)
http://selleckchem.com/products/BS-181.html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (50)
348

>  <Formula> (50)
C26H21N3O2S

>  <MolWeight> (50)
439.52884

>  <Cat> (50)
S1577

>  <Name> (50)
Tie2 kinase inhibitor

>  <Synonyms> (50)
N/A

>  <Target> (50)
Tie-2

>  <Form> (50)
free base

>  <CAS> (50)
948557-43-5

>  <URL> (50)
http://selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$
Apixaban.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (51)
351

>  <Formula> (51)
C25H25N5O4

>  <MolWeight> (51)
459.4971

>  <Cat> (51)
S1593

>  <Name> (51)
Apixaban (BMS 562247-01)

>  <Synonyms> (51)
BMS 562247-01

>  <Target> (51)
Factor Xa

>  <Form> (51)
free base

>  <CAS> (51)
503612-47-3

>  <URL> (51)
http://selleckchem.com/products/Apixaban(BMS-562247-01).html

$$$$
ALLI (orlistat).cdx
csChFnd80/06012611192D

 35 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (52)
372

>  <Formula> (52)
C29H53NO5

>  <MolWeight> (52)
495.73482

>  <Cat> (52)
S1629

>  <Name> (52)
Orlistat (Ro 18-0647)

>  <Synonyms> (52)
Tetrahydrolipstatin,Ro 18-0647

>  <Target> (52)
Apoptosis related,Fatty Acid Synthase,Lipase

>  <Form> (52)
free base

>  <CAS> (52)
96829-58-2

>  <URL> (52)
http://selleckchem.com/products/Orlistat(Alli).html

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/06012611192D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 16 15  1  1  0  0  0
M  END
>  <Mol_ID> (53)
386

>  <Formula> (53)
C16H21N3O2

>  <MolWeight> (53)
287.35684

>  <Cat> (53)
S1649

>  <Name> (53)
Zolmitriptan

>  <Synonyms> (53)
BW-311C90

>  <Target> (53)
5-HT Receptor

>  <Form> (53)
free base

>  <CAS> (53)
139264-17-8

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

$$$$
CTEP.cdx
csChFnd80/06012611192D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (54)
465

>  <Formula> (54)
C19H13ClF3N3O

>  <MolWeight> (54)
391.7742296

>  <Cat> (54)
S2861

>  <Name> (54)
CTEP (RO4956371)

>  <Synonyms> (54)
N/A

>  <Target> (54)
GluR

>  <Form> (54)
free base

>  <CAS> (54)
871362-31-1

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

$$$$
Raltegravir.cdx
csChFnd80/06012611192D

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.4446    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (55)
490

>  <Formula> (55)
C20H21FN6O5

>  <MolWeight> (55)
444.4163432

>  <Cat> (55)
S2005

>  <Name> (55)
Raltegravir (MK-0518)

>  <Synonyms> (55)
MK-0518

>  <Target> (55)
Integrase

>  <Form> (55)
free base

>  <CAS> (55)
518048-05-0

>  <URL> (55)
http://selleckchem.com/products/Raltegravir-(MK-0518).html

$$$$
AMG 458.cdx
csChFnd80/06012611192D

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N/A

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c-Met

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free base

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913376-83-7

>  <URL> (56)
http://selleckchem.com/products/amg458.html

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535

>  <Formula> (57)
C29H27N7O4S

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HER2-Inhibitor-1

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N/A

>  <Target> (57)
EGFR,HER2

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free base

>  <CAS> (57)
937265-83-3

>  <URL> (57)
http://selleckchem.com/products/her2-inhibitor-1.html

$$$$
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>  <Formula> (58)
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>  <MolWeight> (58)
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GSK-3

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252935-94-7

>  <URL> (58)
http://selleckchem.com/products/chir-98014.html

$$$$
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>  <Mol_ID> (59)
553

>  <Formula> (59)
C23H19N3O2

>  <MolWeight> (59)
369.41586

>  <Cat> (59)
S2753

>  <Name> (59)
Tivantinib (ARQ 197)

>  <Synonyms> (59)
N/A

>  <Target> (59)
Apoptosis related,c-Met

>  <Form> (59)
free base

>  <CAS> (59)
905854-02-6

>  <URL> (59)
http://selleckchem.com/products/arq-197.html

$$$$
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csChFnd80/06012611192D

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M  END
>  <Mol_ID> (60)
554

>  <Formula> (60)
C23H26IN7O2S

>  <MolWeight> (60)
591.46771

>  <Cat> (60)
S1274

>  <Name> (60)
BX-795

>  <Synonyms> (60)
N/A

>  <Target> (60)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (60)
free base

>  <CAS> (60)
702675-74-9

>  <URL> (60)
http://selleckchem.com/products/bx-795.html

$$$$
BX-912.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (61)
555

>  <Formula> (61)
C20H23BrN8O

>  <MolWeight> (61)
471.35362

>  <Cat> (61)
S1275

>  <Name> (61)
BX-912

>  <Synonyms> (61)
N/A

>  <Target> (61)
PDK

>  <Form> (61)
free base

>  <CAS> (61)
702674-56-4

>  <URL> (61)
http://selleckchem.com/products/bx-912.html

$$$$
NVP-BVU972.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (62)
557

>  <Formula> (62)
C20H16N6

>  <MolWeight> (62)
340.38124

>  <Cat> (62)
S2761

>  <Name> (62)
NVP-BVU972

>  <Synonyms> (62)
N/A

>  <Target> (62)
c-Met

>  <Form> (62)
free base

>  <CAS> (62)
1185763-69-2

>  <URL> (62)
http://selleckchem.com/products/nvp-bvu972.html

$$$$
PCI-34051.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (63)
558

>  <Formula> (63)
C17H16N2O3

>  <MolWeight> (63)
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>  <Cat> (63)
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>  <Name> (63)
PCI-34051

>  <Synonyms> (63)
N/A

>  <Target> (63)
Apoptosis related,HDAC

>  <Form> (63)
free base

>  <CAS> (63)
950762-95-5

>  <URL> (63)
http://selleckchem.com/products/pci-34051.html

$$$$
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TRP Channel

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free base

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501951-42-4

>  <URL> (64)
http://selleckchem.com/products/sb705498.html

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>  <Mol_ID> (65)
565

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>  <Name> (65)
Allitinib tosylate

>  <Synonyms> (65)
AST-1306 TsOH, AST-6

>  <Target> (65)
EGFR

>  <Form> (65)
Mesylate

>  <CAS> (65)
1050500-29-2

>  <URL> (65)
https://www.selleckchem.com/products/allitinib-tosylate.html

$$$$
GW842166x.cdx
csChFnd80/06012611192D

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573

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449.2543896

>  <Cat> (66)
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>  <Name> (66)
GW842166X

>  <Synonyms> (66)
N/A

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Cannabinoid Receptor

>  <Form> (66)
free base

>  <CAS> (66)
666260-75-9

>  <URL> (66)
http://selleckchem.com/products/gw-842166x.html

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AZD2014.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (67)
576

>  <Formula> (67)
C25H30N6O3

>  <MolWeight> (67)
462.5441

>  <Cat> (67)
S2783

>  <Name> (67)
Vistusertib (AZD2014)

>  <Synonyms> (67)
N/A

>  <Target> (67)
Apoptosis related,Autophagy,mTOR

>  <Form> (67)
free base

>  <CAS> (67)
1009298-59-2

>  <URL> (67)
http://selleckchem.com/products/azd2014.html

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csChFnd80/06012611192D

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>  <Mol_ID> (68)
578

>  <Formula> (68)
C19H16ClNO4

>  <MolWeight> (68)
357.78764

>  <Cat> (68)
S2785

>  <Name> (68)
A-803467

>  <Synonyms> (68)
N/A

>  <Target> (68)
Sodium Channel

>  <Form> (68)
free base

>  <CAS> (68)
944261-79-4

>  <URL> (68)
http://selleckchem.com/products/a-803467.html

$$$$
PMSF.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (69)
589

>  <Formula> (69)
C7H7FO2S

>  <MolWeight> (69)
174.1926832

>  <Cat> (69)
S3025

>  <Name> (69)
PMSF

>  <Synonyms> (69)
Phenylmethylsulfonyl Fluoride, Benzylsulfonyl fluoride

>  <Target> (69)
Cysteine Protease,Serine Protease

>  <Form> (69)
free base

>  <CAS> (69)
329-98-6

>  <URL> (69)
http://selleckchem.com/products/pmsf-phenylmethylsulfonyl-fluoride.html

$$$$
Sirtinol.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (70)
595

>  <Formula> (70)
C26H22N2O2

>  <MolWeight> (70)
394.46508

>  <Cat> (70)
S2804

>  <Name> (70)
Sirtinol

>  <Synonyms> (70)
N/A

>  <Target> (70)
Sirtuin

>  <Form> (70)
free base

>  <CAS> (70)
410536-97-9

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

$$$$
GDC-0068.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (71)
601

>  <Formula> (71)
C24H32ClN5O2

>  <MolWeight> (71)
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>  <Cat> (71)
S2808

>  <Name> (71)
Ipatasertib (GDC-0068)

>  <Synonyms> (71)
RG7440

>  <Target> (71)
Akt

>  <Form> (71)
free base

>  <CAS> (71)
1001264-89-6

>  <URL> (71)
http://selleckchem.com/products/gdc-0068.html

$$$$
Torin 2.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (72)
605

>  <Formula> (72)
C24H15F3N4O

>  <MolWeight> (72)
432.3973096

>  <Cat> (72)
S2817

>  <Name> (72)
Torin 2

>  <Synonyms> (72)
N/A

>  <Target> (72)
Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (72)
free base

>  <CAS> (72)
1223001-51-1

>  <URL> (72)
http://selleckchem.com/products/torin-2.html

$$$$
AG14361.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (73)
648

>  <Formula> (73)
C19H20N4O

>  <MolWeight> (73)
320.3883

>  <Cat> (73)
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>  <Name> (73)
AG-14361

>  <Synonyms> (73)
N/A

>  <Target> (73)
PARP

>  <Form> (73)
free base

>  <CAS> (73)
328543-09-5

>  <URL> (73)
http://selleckchem.com/products/AG14361.html

$$$$
SB743921.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (74)
655

>  <Formula> (74)
C31H34Cl2N2O3

>  <MolWeight> (74)
553.51926

>  <Cat> (74)
S2182

>  <Name> (74)
SB743921 HCl

>  <Synonyms> (74)
N/A

>  <Target> (74)
Kinesin

>  <Form> (74)
Hydrochloride

>  <CAS> (74)
940929-33-9

>  <URL> (74)
http://selleckchem.com/products/SB-743921.html

$$$$
AZD8931.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (75)
659

>  <Formula> (75)
C23H25ClFN5O3

>  <MolWeight> (75)
473.9277032

>  <Cat> (75)
S2192

>  <Name> (75)
Sapitinib (AZD8931)

>  <Synonyms> (75)
N/A

>  <Target> (75)
EGFR,HER2

>  <Form> (75)
free base

>  <CAS> (75)
848942-61-0

>  <URL> (75)
http://selleckchem.com/products/AZD8931.html

$$$$
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>  <Formula> (76)
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>  <MolWeight> (76)
543.6037296

>  <Cat> (76)
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>  <Name> (76)
GSK461364

>  <Synonyms> (76)
GSK461364A

>  <Target> (76)
PLK

>  <Form> (76)
free base

>  <CAS> (76)
929095-18-1

>  <URL> (76)
http://selleckchem.com/products/GSK461364.html

$$$$
Mubritinib.cdx
csChFnd80/06012611192D

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670

>  <Formula> (77)
C25H23F3N4O2

>  <MolWeight> (77)
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>  <Cat> (77)
S2216

>  <Name> (77)
Mubritinib (TAK 165)

>  <Synonyms> (77)
N/A

>  <Target> (77)
HER2

>  <Form> (77)
free base

>  <CAS> (77)
366017-09-6

>  <URL> (77)
http://selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
Cryptotanshinone.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (78)
698

>  <Formula> (78)
C19H20O3

>  <MolWeight> (78)
296.3603

>  <Cat> (78)
S2285

>  <Name> (78)
Cryptotanshinone

>  <Synonyms> (78)
Tanshinone C

>  <Target> (78)
Apoptosis related,Autophagy,STAT

>  <Form> (78)
free base

>  <CAS> (78)
35825-57-1

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

$$$$
Icariin.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (79)
719

>  <Formula> (79)
C33H40O15

>  <MolWeight> (79)
676.6617

>  <Cat> (79)
S2312

>  <Name> (79)
Icariin

>  <Synonyms> (79)
N/A

>  <Target> (79)
PDE

>  <Form> (79)
free base

>  <CAS> (79)
489-32-7

>  <URL> (79)
http://selleckchem.com/products/Icariin.html

$$$$
PCI-32765.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (80)
777

>  <Formula> (80)
C25H24N6O2

>  <MolWeight> (80)
440.49706

>  <Cat> (80)
S2680

>  <Name> (80)
Ibrutinib (PCI-32765)

>  <Synonyms> (80)
PCI-32765,Imbruvica

>  <Target> (80)
BTK,Target Protein Ligand

>  <Form> (80)
free base

>  <CAS> (80)
936563-96-1

>  <URL> (80)
http://selleckchem.com/products/pci-32765.html

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>  <Mol_ID> (81)
780

>  <Formula> (81)
C25H24F2N2O3

>  <MolWeight> (81)
438.4664664

>  <Cat> (81)
S2694

>  <Name> (81)
Turofexorate Isopropyl (XL335)

>  <Synonyms> (81)
Fxr 450

>  <Target> (81)
FXR

>  <Form> (81)
free base

>  <CAS> (81)
629664-81-9

>  <URL> (81)
http://selleckchem.com/products/way-362450.html

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>  <Mol_ID> (82)
781

>  <Formula> (82)
C28H21N7OS

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N/A

>  <Target> (82)
Aurora Kinase

>  <Form> (82)
free base

>  <CAS> (82)
945595-80-2

>  <URL> (82)
http://selleckchem.com/products/amg-900.html

$$$$
untitled.cdx
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>  <Mol_ID> (83)
819

>  <Formula> (83)
C19H18ClN3O5S

>  <MolWeight> (83)
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>  <Cat> (83)
S3002

>  <Name> (83)
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>  <Synonyms> (83)
BAY 59-7939

>  <Target> (83)
Factor Xa

>  <Form> (83)
free base

>  <CAS> (83)
366789-02-8

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

$$$$
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free base

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936890-98-1

>  <URL> (85)
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FAAH

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free base

>  <CAS> (86)
546141-08-6

>  <URL> (86)
http://selleckchem.com/products/urb597.html

$$$$
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1166227-08-2

>  <URL> (87)
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free base

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405168-58-3

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http://selleckchem.com/products/chir-124.html

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free base

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1292799-56-4

>  <URL> (89)
http://selleckchem.com/products/pf-2545920.html

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>  <Form> (90)
free base

>  <CAS> (90)
426219-18-3

>  <URL> (90)
http://selleckchem.com/products/TAK-700.html

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mTOR

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free base

>  <CAS> (91)
1062159-35-6

>  <URL> (91)
http://selleckchem.com/products/way-600.html

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   14.9394    3.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2394    5.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0927    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4165    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
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  6  1  1  0  0  0  0
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 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
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  1 17  1  0  0  0  0
  7 18  1  0  0  0  0
  3 19  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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
 19 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 19  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (92)
875

>  <Formula> (92)
C27H33N7O4

>  <MolWeight> (92)
519.59542

>  <Cat> (92)
S2661

>  <Name> (92)
WYE-125132 (WYE-132)

>  <Synonyms> (92)
N/A

>  <Target> (92)
mTOR

>  <Form> (92)
free base

>  <CAS> (92)
1144068-46-1

>  <URL> (92)
http://selleckchem.com/products/wye-125132.html

$$$$
LY2603618.cdx
csChFnd80/06012611192D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  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 11  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 23 24  2  0  0  0  0
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 26 20  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (93)
888

>  <Formula> (93)
C18H22BrN5O3

>  <MolWeight> (93)
436.30298

>  <Cat> (93)
S2626

>  <Name> (93)
Rabusertib (LY2603618)

>  <Synonyms> (93)
IC-83

>  <Target> (93)
Apoptosis related,Autophagy,Chk

>  <Form> (93)
free base

>  <CAS> (93)
911222-45-2

>  <URL> (93)
http://selleckchem.com/products/LY2603618-IC-83.html

$$$$
Dimethyl Fumarate.cdx
csChFnd80/06012611192D

 10  9  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
    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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 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
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    0.0000    0.0000    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
  1  2  1  0  0  0  0
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  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
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  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (94)
890

>  <Formula> (94)
C6H8O4

>  <MolWeight> (94)
144.12532

>  <Cat> (94)
S2586

>  <Name> (94)
Dimethyl Fumarate

>  <Synonyms> (94)
DMF,Tecfidera,BG-12

>  <Target> (94)
Nrf2

>  <Form> (94)
free base

>  <CAS> (94)
624-49-7

>  <URL> (94)
http://selleckchem.com/products/dimethyl-Fumarate.html

$$$$
ICG001.cdx
csChFnd80/06012611192D

 42 47  0  0  0  0  0  0  0  0999 V2000
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    1.2124   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    9.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2578    7.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6826    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7364    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
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 18 24  1  0  0  0  0
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 29 30  1  0  0  0  0
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 36 37  1  0  0  0  0
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 38 33  1  0  0  0  0
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 39 40  2  0  0  0  0
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 42 38  1  0  0  0  0
M  END
>  <Mol_ID> (95)
893

>  <Formula> (95)
C33H32N4O4

>  <MolWeight> (95)
548.63158

>  <Cat> (95)
S2662

>  <Name> (95)
Foscenvivint (ICG-001)

>  <Synonyms> (95)
N/A

>  <Target> (95)
Apoptosis related,Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (95)
free base

>  <CAS> (95)
780757-88-2 (relative stereochemistry); 847591-62-2 (absolute stereochemistry)

>  <URL> (95)
http://selleckchem.com/products/icg-001.html

$$$$
PF3845.cdx
csChFnd80/06012611192D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (96)
894

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C24H23F3N4O2

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456.4602296

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PF-3845

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N/A

>  <Target> (96)
FAAH

>  <Form> (96)
free base

>  <CAS> (96)
1196109-52-0

>  <URL> (96)
http://selleckchem.com/products/pf-3845.html

$$$$
CP91149.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (97)
904

>  <Formula> (97)
C21H22ClN3O3

>  <MolWeight> (97)
399.87068

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S2717

>  <Name> (97)
CP-91149

>  <Synonyms> (97)
N/A

>  <Target> (97)
Phosphorylase

>  <Form> (97)
free base

>  <CAS> (97)
186392-40-5

>  <URL> (97)
http://selleckchem.com/products/cp-91149.html

$$$$
GSK1070916.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (98)
908

>  <Formula> (98)
C30H33N7O

>  <MolWeight> (98)
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S2740

>  <Name> (98)
GSK1070916

>  <Synonyms> (98)
N/A

>  <Target> (98)
Aurora Kinase

>  <Form> (98)
free base

>  <CAS> (98)
942918-07-2

>  <URL> (98)
http://selleckchem.com/products/gsk1070916.html

$$$$
Nepicastat hydrochloride.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (99)
914

>  <Formula> (99)
C14H16ClF2N3S

>  <MolWeight> (99)
331.8117464

>  <Cat> (99)
S2695

>  <Name> (99)
Nepicastat (SYN-117) HCl

>  <Synonyms> (99)
N/A

>  <Target> (99)
Hydroxylase

>  <Form> (99)
Hydrochloride

>  <CAS> (99)
170151-24-3

>  <URL> (99)
http://selleckchem.com/products/nepicastat-hydrochloride.html

$$$$
PF299804.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (100)
923

>  <Formula> (100)
C24H25ClFN5O2

>  <MolWeight> (100)
469.9390032

>  <Cat> (100)
S2727

>  <Name> (100)
Dacomitinib (PF-00299804)

>  <Synonyms> (100)
PF299804,PF299

>  <Target> (100)
Apoptosis related,EGFR,HER2

>  <Form> (100)
free base

>  <CAS> (100)
1110813-31-4

>  <URL> (100)
http://selleckchem.com/products/pf299804.html

$$$$
SB415286.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (101)
924

>  <Formula> (101)
C16H10ClN3O5

>  <MolWeight> (101)
359.7207

>  <Cat> (101)
S2729

>  <Name> (101)
SB415286

>  <Synonyms> (101)
N/A

>  <Target> (101)
Apoptosis related,GSK-3

>  <Form> (101)
free base

>  <CAS> (101)
264218-23-7

>  <URL> (101)
http://selleckchem.com/products/sb-415286.html

$$$$
INK 128.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (102)
925

>  <Formula> (102)
C15H15N7O

>  <MolWeight> (102)
309.3259

>  <Cat> (102)
S2811

>  <Name> (102)
Sapanisertib (MLN0128)

>  <Synonyms> (102)
INK 128,TAK-228

>  <Target> (102)
mTOR

>  <Form> (102)
free base

>  <CAS> (102)
1224844-38-5

>  <URL> (102)
http://selleckchem.com/products/ink128.html

$$$$
Linagliptin.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (103)
926

>  <Formula> (103)
C25H28N8O2

>  <MolWeight> (103)
472.54222

>  <Cat> (103)
S3031

>  <Name> (103)
Linagliptin (BI-1356)

>  <Synonyms> (103)
GSK2118436

>  <Target> (103)
Autophagy,Ferroptosis

>  <Form> (103)
free base

>  <CAS> (103)
668270-12-0

>  <URL> (103)
http://selleckchem.com/products/linagliptin-bi-1356.html

$$$$
MK-5108.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (104)
928

>  <Formula> (104)
C22H21ClFN3O3S

>  <MolWeight> (104)
461.9368432

>  <Cat> (104)
S2770

>  <Name> (104)
MK-5108 (VX-689)

>  <Synonyms> (104)
N/A

>  <Target> (104)
Aurora Kinase,Autophagy

>  <Form> (104)
free base

>  <CAS> (104)
1010085-13-8

>  <URL> (104)
http://selleckchem.com/products/mk-5108-vx-689.html

$$$$
CP868569.cdx
csChFnd80/06012611192D

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FLT3,Mitophagy,PDGFR

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free base

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670220-88-9

>  <URL> (105)
http://selleckchem.com/products/crenolanib-cp-868596.html

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C17H16FN3

>  <MolWeight> (106)
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RS-127445

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MT500

>  <Target> (106)
5-HT Receptor

>  <Form> (106)
free base

>  <CAS> (106)
199864-87-4

>  <URL> (106)
http://selleckchem.com/products/rs-127445.html

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>  <Formula> (107)
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>  <MolWeight> (107)
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JNJ-1661010

>  <Synonyms> (107)
Takeda-25

>  <Target> (107)
FAAH

>  <Form> (107)
Free Base

>  <CAS> (107)
681136-29-8

>  <URL> (107)
http://selleckchem.com/products/jnj-1661010.html

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>  <URL> (108)
http://selleckchem.com/products/CP-673451.html

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>  <CAS> (109)
322-79-2

>  <URL> (109)
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$$$$
Tideglusib.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (110)
1043

>  <Formula> (110)
C19H14N2O2S

>  <MolWeight> (110)
334.39166

>  <Cat> (110)
S2823

>  <Name> (110)
Tideglusib (NP031112)

>  <Synonyms> (110)
NP-12

>  <Target> (110)
COVID-19,GSK-3

>  <Form> (110)
free base

>  <CAS> (110)
865854-05-3

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

$$$$
carfilzomib(PR-171).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (111)
1047

>  <Formula> (111)
C40H57N5O7

>  <MolWeight> (111)
719.90988

>  <Cat> (111)
S2853

>  <Name> (111)
Carfilzomib (PR-171)

>  <Synonyms> (111)
N/A

>  <Target> (111)
Apoptosis related,Autophagy,COVID-19,Proteasome

>  <Form> (111)
free base

>  <CAS> (111)
868540-17-4

>  <URL> (111)
http://selleckchem.com/products/carfilzomib-pr-171.html

$$$$
T0070907.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (112)
1062

>  <Formula> (112)
C12H8ClN3O3

>  <MolWeight> (112)
277.66322

>  <Cat> (112)
S2871

>  <Name> (112)
T0070907

>  <Synonyms> (112)
N/A

>  <Target> (112)
DNA-PK,PPAR,RAD51

>  <Form> (112)
free base

>  <CAS> (112)
313516-66-4

>  <URL> (112)
http://selleckchem.com/products/t0070907.html

$$$$
GW 441756.cdx
csChFnd80/06012611192D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (113)
1102

>  <Formula> (113)
C17H13N3O

>  <MolWeight> (113)
275.30462

>  <Cat> (113)
S2891

>  <Name> (113)
GW441756

>  <Synonyms> (113)
N/A

>  <Target> (113)
Apoptosis related,Caspase,Trk receptor

>  <Form> (113)
free base

>  <CAS> (113)
504433-23-2

>  <URL> (113)
http://selleckchem.com/products/gw-441756.html

$$$$
SB 271046.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (114)
1104

>  <Formula> (114)
C20H22ClN3O3S2

>  <MolWeight> (114)
451.98998

>  <Cat> (114)
S2856

>  <Name> (114)
SB 271046 hydrochloride

>  <Synonyms> (114)
N/A

>  <Target> (114)
5-HT Receptor

>  <Form> (114)
hydrochloride

>  <CAS> (114)
209481-24-3

>  <URL> (114)
http://selleckchem.com/products/sb-271046.html

$$$$
SB 742457.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (115)
1105

>  <Formula> (115)
C19H19N3O2S

>  <MolWeight> (115)
353.43806

>  <Cat> (115)
S2894

>  <Name> (115)
SB742457

>  <Synonyms> (115)
GSK 742457

>  <Target> (115)
5-HT Receptor

>  <Form> (115)
free base

>  <CAS> (115)
607742-69-8

>  <URL> (115)
http://selleckchem.com/products/sb-742457.html

$$$$
ZM323881 HCl.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (116)
1107

>  <Formula> (116)
C22H19ClFN3O2

>  <MolWeight> (116)
411.8565632

>  <Cat> (116)
S2896

>  <Name> (116)
ZM 323881 HCl

>  <Synonyms> (116)
N/A

>  <Target> (116)
VEGFR

>  <Form> (116)
Hydrochloride

>  <CAS> (116)
193000-39-4

>  <URL> (116)
http://selleckchem.com/products/zm-323881-hcl.html

$$$$
Lumiracoxib.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (117)
1111

>  <Formula> (117)
C15H13ClFNO2

>  <MolWeight> (117)
293.7206232

>  <Cat> (117)
S2903

>  <Name> (117)
Lumiracoxib

>  <Synonyms> (117)
COX-189

>  <Target> (117)
COX

>  <Form> (117)
free base

>  <CAS> (117)
220991-20-8

>  <URL> (117)
http://selleckchem.com/products/lumiracoxib-cox-189.html

$$$$
JNJ7777120.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (118)
1112

>  <Formula> (118)
C14H16ClN3O

>  <MolWeight> (118)
277.74934

>  <Cat> (118)
S2905

>  <Name> (118)
JNJ-7777120

>  <Synonyms> (118)
N/A

>  <Target> (118)
Histamine Receptor

>  <Form> (118)
free base

>  <CAS> (118)
459168-41-3

>  <URL> (118)
http://selleckchem.com/products/jnj-7777120.html

$$$$
IOX2.cdx
csChFnd80/06012611192D

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  9 25  2  0  0  0  0
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  6 10  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (119)
1132

>  <Formula> (119)
C19H16N2O5

>  <MolWeight> (119)
352.34074

>  <Cat> (119)
S2919

>  <Name> (119)
IOX2

>  <Synonyms> (119)
JICL38

>  <Target> (119)
HIF

>  <Form> (119)
free base

>  <CAS> (119)
931398-72-0

>  <URL> (119)
http://selleckchem.com/products/iox2.html

$$$$
Ambrisentan.cdx
csChFnd80/06012611192D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4744    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 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
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 19  9  1  0  0  0  0
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 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (120)
1183

>  <Formula> (120)
C22H22N2O4

>  <MolWeight> (120)
378.42108

>  <Cat> (120)
S2097

>  <Name> (120)
Ambrisentan

>  <Synonyms> (120)
LU-208075, BSF-208075

>  <Target> (120)
Endothelin Receptor

>  <Form> (120)
free base

>  <CAS> (120)
177036-94-1

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/06012611192D

 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
    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
    3.6331    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6764    6.9660    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
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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 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (121)
1196

>  <Formula> (121)
C18H23Cl2NO

>  <MolWeight> (121)
340.28732

>  <Cat> (121)
S2499

>  <Name> (121)
Phenoxybenzamine HCl

>  <Synonyms> (121)
NSC 37448, NCI-c01661

>  <Target> (121)
Adrenergic Receptor

>  <Form> (121)
HCl

>  <CAS> (121)
63-92-3

>  <URL> (121)
http://selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

$$$$
Sulbactam sodium.cdx
csChFnd80/06012611192D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9865    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    1.7849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3865    3.1849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    3.6175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    0.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (122)
1200

>  <Formula> (122)
C8H10NNaO5S

>  <MolWeight> (122)
255.22347

>  <Cat> (122)
S2551

>  <Name> (122)
Sulbactam sodium

>  <Synonyms> (122)
Unasyn, CP-45899-2

>  <Target> (122)
¦Â-lactamase

>  <Form> (122)
Sodium  salt

>  <CAS> (122)
69388-84-7

>  <URL> (122)
http://selleckchem.com/products/sulbactam-sodium-unasyn.html

$$$$
aspirin.cdx
csChFnd80/06012611192D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   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
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5 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
M  END
>  <Mol_ID> (123)
1208

>  <Formula> (123)
C9H8O4

>  <MolWeight> (123)
180.15742

>  <Cat> (123)
S3017

>  <Name> (123)
Aspirin (NSC 27223)

>  <Synonyms> (123)
Acetylsalicylic acid, ASA

>  <Target> (123)
Autophagy,COX,Mitophagy

>  <Form> (123)
free base

>  <CAS> (123)
50-78-2

>  <URL> (123)
http://selleckchem.com/products/aspirin-acetylsalicylic-acid.html

$$$$
GNF-2.cdx
csChFnd80/06012611192D

 27 29  0  0  0  0  0  0  0  0999 V2000
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GNF-2

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N/A

>  <Target> (124)
Bcr-Abl

>  <Form> (124)
free base

>  <CAS> (124)
778270-11-4

>  <URL> (124)
http://selleckchem.com/products/gnf-2.html

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>  <Formula> (125)
C26H32N8

>  <MolWeight> (125)
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>  <Name> (125)
PF-4981517

>  <Synonyms> (125)
CYP3cide, PF-04981517

>  <Target> (125)
P450 (e.g. CYP17)

>  <Form> (125)
free base

>  <CAS> (125)
1390637-82-7

>  <URL> (125)
http://selleckchem.com/products/pf-4981517.html

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>  <Mol_ID> (126)
1234

>  <Formula> (126)
C15H24N4O4

>  <MolWeight> (126)
324.37546

>  <Cat> (126)
S2224

>  <Name> (126)
UK 383367

>  <Synonyms> (126)
N/A

>  <Target> (126)
Procollagen C Proteinase

>  <Form> (126)
free base

>  <CAS> (126)
348622-88-8

>  <URL> (126)
http://selleckchem.com/products/UK-383367.html

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>  <Mol_ID> (127)
1236

>  <Formula> (127)
C16H17N3O4S

>  <MolWeight> (127)
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>  <Cat> (127)
S1216

>  <Name> (127)
PFI-1 (PF-6405761)

>  <Synonyms> (127)
N/A

>  <Target> (127)
Epigenetic Reader Domain

>  <Form> (127)
free base

>  <CAS> (127)
1403764-72-6

>  <URL> (127)
http://selleckchem.com/products/pfl-1.html

$$$$
Avanafil.cdx
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PDE

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free base

>  <CAS> (128)
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>  <URL> (128)
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JNK-IN-8

>  <Synonyms> (129)
JNK Inhibitor XVI

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JNK

>  <Form> (129)
free base

>  <CAS> (129)
1410880-22-6

>  <URL> (129)
http://selleckchem.com/products/jnk-in-8.html

$$$$
SC-514.cdx
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I¦ÊB/IKK

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free base

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354812-17-2

>  <URL> (130)
http://selleckchem.com/products/sc-514.html

$$$$
JZL184.cdx
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C27H24N2O9

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JZL184

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N/A

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Lipase

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free base

>  <CAS> (131)
1101854-58-3

>  <URL> (131)
http://selleckchem.com/products/jzl184.html

$$$$
RIMADYL (carprofen).cdx
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Carprofen

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N/A

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COX

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free base

>  <CAS> (132)
53716-49-7

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

$$$$
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    0.4810    6.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934    4.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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 13  9  1  0  0  0  0
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  7 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (133)
1372

>  <Formula> (133)
C24H28N2O7S2

>  <MolWeight> (133)
520.61832

>  <Cat> (133)
S4102

>  <Name> (133)
Eprosartan Mesylate

>  <Synonyms> (133)
SKF-108566J

>  <Target> (133)
Angiotensin Receptor

>  <Form> (133)
Mesylate

>  <CAS> (133)
144143-96-4

>  <URL> (133)
http://selleckchem.com/products/eprosartan-mesylate.html

$$$$
S4246.cdx
csChFnd80/06012611192D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.5079    5.1107    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
  7  6  1  6  0  0  0
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  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (134)
1416

>  <Formula> (134)
C9H12ClNR

>  <MolWeight> (134)
169.65128

>  <Cat> (134)
S4246

>  <Name> (134)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (134)
SKF-385 HCl, Parnate,2-PCPA

>  <Target> (134)
MAO

>  <Form> (134)
Hydrochloride

>  <CAS> (134)
1986-47-6

>  <URL> (134)
http://selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Daidzin.cdx
csChFnd80/06012611192D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    3.4951    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
    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
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   10.9077    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 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
 10 25  2  0  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 16 28  1  1  0  0  0
 14 29  1  1  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (135)
1424

>  <Formula> (135)
C21H20O9

>  <MolWeight> (135)
416.3781

>  <Cat> (135)
S2289

>  <Name> (135)
Daidzin

>  <Synonyms> (135)
Daidzoside, Daidzein 7-O-glucoside, Daidzein 7-glucoside

>  <Target> (135)
Dehydrogenase

>  <Form> (135)
Free Base

>  <CAS> (135)
552-66-9

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

$$$$
Brimonidine Tartrate.cdx
csChFnd80/06012611192D

 27 28  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 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 N   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    2.8000    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
    7.4210    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.6240    3.6428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6240    2.2379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4115    4.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4115    1.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    4.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0488    3.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    5.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0488    2.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    0.1379    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
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 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 10 17  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 13  1  0  0  0  0
 15 14  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
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 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (136)
1447

>  <Formula> (136)
C15H16BrN5O6

>  <MolWeight> (136)
442.22144

>  <Cat> (136)
S4266

>  <Name> (136)
Brimonidine Tartrate

>  <Synonyms> (136)
UK 1434 Tartrate

>  <Target> (136)
Adrenergic Receptor

>  <Form> (136)
Tartrate

>  <CAS> (136)
70359-46-5

>  <URL> (136)
http://selleckchem.com/products/brimonidine-tartrate.html

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/06012611192D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8355    2.2024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    6.1076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    7.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    8.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077   10.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242   10.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6599    5.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4828    6.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6599    7.9426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0910    9.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4433    9.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8044   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1520   11.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  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
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  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
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 23  1  0  0  0  0
 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
M  END
>  <Mol_ID> (137)
1450

>  <Formula> (137)
C25H32F3N3O4

>  <MolWeight> (137)
495.5344896

>  <Cat> (137)
S1613

>  <Name> (137)
Silodosin

>  <Synonyms> (137)
KAD 3213, KMD 3213

>  <Target> (137)
Adrenergic Receptor

>  <Form> (137)
free base

>  <CAS> (137)
160970-54-7

>  <URL> (137)
http://selleckchem.com/products/Silodosin(Rapaflo).html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/06012611192D

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.5000    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
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M  END
>  <Mol_ID> (138)
1469

>  <Formula> (138)
C19H20F3IN2O5S

>  <MolWeight> (138)
572.3371796

>  <Cat> (138)
S1089

>  <Name> (138)
Refametinib (RDEA119)

>  <Synonyms> (138)
Bay 86-9766

>  <Target> (138)
MEK

>  <Form> (138)
free base

>  <CAS> (138)
923032-37-5

>  <URL> (138)
http://selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (139)
1491

>  <Formula> (139)
C24H25ClFN5O3

>  <MolWeight> (139)
485.9384032

>  <Cat> (139)
S1011

>  <Name> (139)
Afatinib (BIBW2992)

>  <Synonyms> (139)
BIBW2992

>  <Target> (139)
Autophagy,EGFR,HER2

>  <Form> (139)
Free Base

>  <CAS> (139)
850140-72-6

>  <URL> (139)
http://selleckchem.com/products/BIBW2992.html

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (140)
1495

>  <Formula> (140)
C22H26ClF2NO4

>  <MolWeight> (140)
441.8959464

>  <Cat> (140)
S1549

>  <Name> (140)
Nebivolol hydrochloride (R-65824)

>  <Synonyms> (140)
R-65824 hydrochloride

>  <Target> (140)
Adrenergic Receptor

>  <Form> (140)
Hydrochloride

>  <CAS> (140)
152520-56-4

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

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (141)
1505

>  <Formula> (141)
C14H16ClF2N3S

>  <MolWeight> (141)
331.8117464

>  <Cat> (141)
S4926

>  <Name> (141)
(R)-Nepicastat HCl

>  <Synonyms> (141)
RS-25560-198 HCl

>  <Target> (141)
Hydroxylase

>  <Form> (141)
Hydrochloride

>  <CAS> (141)
195881-94-8

>  <URL> (141)
http://selleckchem.com/products/r-nepicastat-hcl.html

$$$$
S4002.cdx
csChFnd80/06012611192D

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    6.0496    2.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    6.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    5.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4306    4.0882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2535    5.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4306    6.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8617    7.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5302    8.1129    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2943    9.0118    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.1932    7.2477    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5722    1.8983    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.5722    0.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1770    1.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9673    1.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5722    3.2934    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
  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  6  0  0  0
 13 16  2  0  0  0  0
 14 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 14  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  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
 30 34  2  0  0  0  0
M  END
>  <Mol_ID> (142)
1514

>  <Formula> (142)
C16H20F6N5O6P

>  <MolWeight> (142)
523.3240802

>  <Cat> (142)
S4002

>  <Name> (142)
Sitagliptin phosphate monohydrate

>  <Synonyms> (142)
MK-0431

>  <Target> (142)
DPP

>  <Form> (142)
phosphate &monohydrate

>  <CAS> (142)
654671-77-9

>  <URL> (142)
https://www.selleckchem.com/products/sitagliptin-phosphate-monohydrate.html

$$$$
S4610 Mebendazole.cdx
csChFnd80/06012611192D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933    2.5145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5754    0.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104    1.3697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    4.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5093    2.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9104    2.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8098    3.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    3.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7946    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 10  1  0  0  0  0
  7  9  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
 11 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
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (143)
1597

>  <Formula> (143)
C16H13N3O3

>  <MolWeight> (143)
295.29272

>  <Cat> (143)
S4610

>  <Name> (143)
Mebendazole

>  <Synonyms> (143)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (143)
Parasite

>  <Form> (143)
free base

>  <CAS> (143)
31431-39-7

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

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/06012611192D

 23 25  0  0  0  0  0  0  0  0999 V2000
    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  3  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
    6.0496    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  3  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
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 O   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    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
    8.4744    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    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  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
 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
  1 15  2  0  0  0  0
  2 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
 13 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> (144)
1642

>  <Formula> (144)
C19H27NO3

>  <MolWeight> (144)
317.42258

>  <Cat> (144)
S1789

>  <Name> (144)
Tetrabenazine (Xenazine)

>  <Synonyms> (144)
Xenazine,Ro 1-9569

>  <Target> (144)
Dopamine Receptor

>  <Form> (144)
free base

>  <CAS> (144)
58-46-8

>  <URL> (144)
http://selleckchem.com/products/Tetrabenazine(Nitoman).html

$$$$
Pantoprazole.cdx
csChFnd80/06012611192D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.4207    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.2966    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6991    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4942    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8942    3.6331    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  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
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  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 17  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (145)
1665

>  <Formula> (145)
C16H15F2N3O4S

>  <MolWeight> (145)
383.3698064

>  <Cat> (145)
S2105

>  <Name> (145)
Pantoprazole

>  <Synonyms> (145)
SKFSKF96022, BY-1023

>  <Target> (145)
ATPase,Proton Pump

>  <Form> (145)
free base

>  <CAS> (145)
102625-70-7

>  <URL> (145)
http://selleckchem.com/products/pantoprazole-protonix.html

$$$$
MK4827.cdx
csChFnd80/06012611192D

 24 27  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
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    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  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  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
 19 16  1  6  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
M  END
>  <Mol_ID> (146)
1672

>  <Formula> (146)
C19H20N4O

>  <MolWeight> (146)
320.3883

>  <Cat> (146)
S2741

>  <Name> (146)
Niraparib (MK-4827)

>  <Target> (146)
Apoptosis related,PARP

>  <Form> (146)
Free Base

>  <CAS> (146)
1038915-60-4

>  <URL> (146)
http://selleckchem.com/products/mk-4827.html

$$$$
S4748 Ondansetron HCl.cdx
csChFnd80/06012611192D

 25 25  0  0  0  0  0  0  0  0999 V2000
    6.5550    3.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2274    4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5550    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928    4.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4117    3.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5487    2.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6880    4.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9192    2.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5051    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6192    3.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7813    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  2  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  2  0  0  0  0
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  6 12  2  0  0  0  0
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  8 14  1  0  0  0  0
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 11 16  2  0  0  0  0
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 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (147)
1687

>  <Formula> (147)
C18H24ClN3O3

>  <MolWeight> (147)
365.85446

>  <Cat> (147)
S4748

>  <Name> (147)
Ondansetron Hydrochloride Dihydrate

>  <Synonyms> (147)
N/A

>  <Target> (147)
5-HT Receptor

>  <Form> (147)
hydrochloride

>  <CAS> (147)
103639-04-9

>  <URL> (147)
http://selleckchem.com/products/ondansetron-hcl.html

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/06012611192D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4560    2.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871    2.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616    4.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    4.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    2.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662    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
  2  6  2  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (148)
1703

>  <Formula> (148)
C6H7NO2

>  <MolWeight> (148)
125.12528

>  <Cat> (148)
S3692

>  <Name> (148)
N-Ethylmaleimide (NEM)

>  <Synonyms> (148)
N/A

>  <Target> (148)
Cysteine Protease,DUB

>  <Form> (148)
free base

>  <CAS> (148)
128-53-0

>  <URL> (148)
http://selleckchem.com/products/n-ethylmaleimide-nem.html

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/06012611192D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    5.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4145    3.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    3.5301    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    5.5498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
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 13 16  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  7  6  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
  3 18  1  1  0  0  0
  2 19  1  0  0  0  0
 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (149)
1730

>  <Formula> (149)
C7H10N3NaO6S

>  <MolWeight> (149)
287.22557

>  <Cat> (149)
S3732

>  <Name> (149)
Avibactam sodium

>  <Synonyms> (149)
AVE-1330A, NXL104

>  <Target> (149)
¦Â-lactamase

>  <Form> (149)
sodium salt

>  <CAS> (149)
1192491-61-4

>  <URL> (149)
http://selleckchem.com/products/avibactam-sodium.html

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/06012611192D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.4337    4.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2995    5.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    5.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1227    6.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    5.5344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2323    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    4.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592    6.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4541    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055    7.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401    6.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029    8.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    7.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    8.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  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
 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> (150)
1769

>  <Formula> (150)
C15H14N4O2S

>  <MolWeight> (150)
314.36226

>  <Cat> (150)
S3673

>  <Name> (150)
Sulfaphenazole

>  <Synonyms> (150)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (150)
P450 (e.g. CYP17)

>  <Form> (150)
free base

>  <CAS> (150)
526-08-9

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

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/06012611192D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.9000    1.2124    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
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    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
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 O   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
    8.4000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 O   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
  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
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  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (151)
1811

>  <Formula> (151)
C9H9BrO2

>  <MolWeight> (151)
229.07056

>  <Cat> (151)
S3678

>  <Name> (151)
PTP Inhibitor II

>  <Synonyms> (151)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (151)
phosphatase

>  <Form> (151)
free base

>  <CAS> (151)
2632-13-5

>  <URL> (151)
http://selleckchem.com/products/ptp-inhibitor-2.html

$$$$
IPA-3.cdx
csChFnd80/06012611192D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.0623    2.1001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  3 12  2  0  0  0  0
  7 12  1  0  0  0  0
  4 13  1  0  0  0  0
  1  3  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
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 14 23  2  0  0  0  0
 18 23  1  0  0  0  0
 15 24  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (152)
1938

>  <Formula> (152)
C20H14O2S2

>  <MolWeight> (152)
350.45396

>  <Cat> (152)
S7093

>  <Name> (152)
IPA-3

>  <Synonyms> (152)
N/A

>  <Target> (152)
PAK

>  <Form> (152)
free base

>  <CAS> (152)
42521-82-4

>  <URL> (152)
http://selleckchem.com/products/ipa-3.html

$$$$
PP2.cdx
csChFnd80/06012611192D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.4863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.7863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4838   10.2356    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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  4  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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M  END
>  <Mol_ID> (153)
1939

>  <Formula> (153)
C15H16ClN5

>  <MolWeight> (153)
301.77404

>  <Cat> (153)
S7008

>  <Name> (153)
PP2

>  <Synonyms> (153)
AG 1879,AGL 1879

>  <Target> (153)
Src

>  <Form> (153)
free base

>  <CAS> (153)
172889-27-9

>  <URL> (153)
http://selleckchem.com/products/pp2.html

$$$$
PD168393.cdx
csChFnd80/06012611192D

 23 25  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> (154)
1940

>  <Formula> (154)
C17H13BrN4O

>  <MolWeight> (154)
369.21532

>  <Cat> (154)
S7039

>  <Name> (154)
PD168393

>  <Synonyms> (154)
N/A

>  <Target> (154)
EGFR

>  <Form> (154)
free base

>  <CAS> (154)
194423-15-9

>  <URL> (154)
http://selleckchem.com/products/pd168393.html

$$$$
EPZ004777.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (155)
1944

>  <Formula> (155)
C28H41N7O4

>  <MolWeight> (155)
539.66964

>  <Cat> (155)
S7353

>  <Name> (155)
EPZ004777

>  <Synonyms> (155)
N/A

>  <Target> (155)
Apoptosis related,DOT1,Histone Methyltransferase

>  <Form> (155)
free base

>  <CAS> (155)
1338466-77-5

>  <URL> (155)
http://selleckchem.com/products/epz004777.html

$$$$
TCID.cdx
csChFnd80/06012611192D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
1950

>  <Formula> (156)
C9H2Cl4O2

>  <MolWeight> (156)
283.92298

>  <Cat> (156)
S7140

>  <Name> (156)
TCID

>  <Synonyms> (156)
N/A

>  <Target> (156)
DUB

>  <Form> (156)
free base

>  <CAS> (156)
30675-13-9

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

$$$$
CNX-2006.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (157)
1954

>  <Formula> (157)
C26H27F4N7O2

>  <MolWeight> (157)
545.5318928

>  <Cat> (157)
S7206

>  <Name> (157)
CNX-2006

>  <Synonyms> (157)
N/A

>  <Target> (157)
EGFR

>  <Form> (157)
free base

>  <CAS> (157)
1375465-09-0

>  <URL> (157)
http://selleckchem.com/products/cnx-2006.html

$$$$
AGI5198.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (158)
1958

>  <Formula> (158)
C27H31FN4O2

>  <MolWeight> (158)
462.5590432

>  <Cat> (158)
S7185

>  <Name> (158)
AGI-5198

>  <Synonyms> (158)
IDH-C35

>  <Target> (158)
Dehydrogenase

>  <Form> (158)
free base

>  <CAS> (158)
1355326-35-0

>  <URL> (158)
http://selleckchem.com/products/agi-5198.html

$$$$
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csChFnd80/06012611192D

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>  <Mol_ID> (159)
2067

>  <Formula> (159)
C36H35BrN2O6

>  <MolWeight> (159)
671.5769

>  <Cat> (159)
S4854

>  <Name> (159)
Bedaquiline fumarate

>  <Synonyms> (159)
TMC-207

>  <Target> (159)
Bacterial

>  <Form> (159)
fumarate

>  <CAS> (159)
845533-86-0

>  <URL> (159)
http://selleckchem.com/products/bedaquiline-fumarate.html

$$$$
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Asunaprevir (BMS-650032)

>  <Synonyms> (160)
BMS-650032

>  <Target> (160)
HCV Protease

>  <Form> (160)
free base

>  <CAS> (160)
630420-16-5

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

$$$$
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C9H13N3O

>  <MolWeight> (161)
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Iproniazid

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Marsilid, Iprazid

>  <Target> (161)
MAO

>  <Form> (161)
free base

>  <CAS> (161)
54-92-2

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

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IPI-145.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (162)
2199

>  <Formula> (162)
C22H17ClN6O

>  <MolWeight> (162)
416.86298

>  <Cat> (162)
S7028

>  <Name> (162)
Duvelisib (IPI-145)

>  <Synonyms> (162)
INK1197

>  <Target> (162)
PI3K

>  <Form> (162)
free base

>  <CAS> (162)
1201438-56-3

>  <URL> (162)
http://selleckchem.com/products/ipi-145-ink1197.html

$$$$
(+)-JQ1.cdx
csChFnd80/06012611192D

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2206

>  <Formula> (163)
C23H25ClN4O2S

>  <MolWeight> (163)
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>  <Cat> (163)
S7110

>  <Name> (163)
(+)-JQ1

>  <Synonyms> (163)
N/A

>  <Target> (163)
Autophagy,Epigenetic Reader Domain,NSD,Target Protein Ligand

>  <Form> (163)
free base

>  <CAS> (163)
1268524-70-4

>  <URL> (163)
http://selleckchem.com/products/jq1.html

$$$$
STATTIC.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (164)
2208

>  <Formula> (164)
C8H5NO4S

>  <MolWeight> (164)
211.1946

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S7024

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Stattic

>  <Synonyms> (164)
N/A

>  <Target> (164)
Apoptosis related,STAT

>  <Form> (164)
free base

>  <CAS> (164)
19983-44-9

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

$$$$
Zebularine.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (165)
2210

>  <Formula> (165)
C9H12N2O5

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S7113

>  <Name> (165)
Zebularine (NSC 309132)

>  <Synonyms> (165)
4-Deoxyuridine

>  <Target> (165)
DNA Methyltransferase

>  <Form> (165)
free base

>  <CAS> (165)
3690-10-6

>  <URL> (165)
http://selleckchem.com/products/zebularine.html

$$$$
untitled.cdx
csChFnd80/06012611192D

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  4  9  1  0  0  0  0
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 18 10  1  0  0  0  0
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 27 22  1  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (166)
2219

>  <Formula> (166)
C19H12F4N4O2

>  <MolWeight> (166)
404.3177928

>  <Cat> (166)
S6005

>  <Name> (166)
VX-702

>  <Synonyms> (166)
N/A

>  <Target> (166)
p38 MAPK

>  <Form> (166)
free base

>  <CAS> (166)
745833-23-2

>  <URL> (166)
http://selleckchem.com/products/VX-702.html

$$$$
PYR 41.cdx
csChFnd80/06012611192D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 13  8  1  0  0  0  0
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 25 26  2  0  0  0  0
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M  END
>  <Mol_ID> (167)
2227

>  <Formula> (167)
C17H13N3O7

>  <MolWeight> (167)
371.30102

>  <Cat> (167)
S7129

>  <Name> (167)
PYR-41

>  <Synonyms> (167)
N/A

>  <Target> (167)
Apoptosis related,E1 Activating

>  <Form> (167)
free base

>  <CAS> (167)
418805-02-4

>  <URL> (167)
http://selleckchem.com/products/pyr-41.html

$$$$
CPI-360.cdx
csChFnd80/06012611192D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9646    5.3007    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
  4  5  2  0  0  0  0
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  6  1  2  0  0  0  0
  3  7  2  0  0  0  0
  1  8  1  0  0  0  0
  5  9  1  0  0  0  0
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  4 11  1  0  0  0  0
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 16 20  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (168)
2259

>  <Formula> (168)
C25H31N3O4

>  <MolWeight> (168)
437.53134

>  <Cat> (168)
S7656

>  <Name> (168)
CPI-360

>  <Synonyms> (168)
N/A

>  <Target> (168)
EZH1/2,Histone Methyltransferase

>  <Form> (168)
free base

>  <CAS> (168)
1802175-06-9

>  <URL> (168)
http://selleckchem.com/products/cpi-360.html

$$$$
SBI-0206965.cdx
csChFnd80/06012611192D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    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
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    2.4249    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  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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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 21 16  1  0  0  0  0
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  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (169)
2269

>  <Formula> (169)
C21H21BrN4O5

>  <MolWeight> (169)
489.31924

>  <Cat> (169)
S7885

>  <Name> (169)
SBI-0206965

>  <Synonyms> (169)
N/A

>  <Target> (169)
Apoptosis related,Autophagy,ULK

>  <Form> (169)
free base

>  <CAS> (169)
1884220-36-3

>  <URL> (169)
http://selleckchem.com/products/sbi-0206965.html

$$$$
Akti-1.cdx
csChFnd80/06012611192D

 42 49  0  0  0  0  0  0  0  0999 V2000
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Akti-1/2

>  <Synonyms> (170)
Akt Inhibitor VIII

>  <Target> (170)
Akt,Apoptosis related

>  <Form> (170)
free base

>  <CAS> (170)
612847-09-3

>  <URL> (170)
http://selleckchem.com/products/akti-1-2.html

$$$$
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2281

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C18H12BrN3O3

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>  <Name> (171)
BIO-acetoxime

>  <Synonyms> (171)
GSK-3 Inhibitor X

>  <Target> (171)
GSK-3

>  <Form> (171)
free base

>  <CAS> (171)
667463-85-6

>  <URL> (171)
http://selleckchem.com/products/bio-acetoxime.html

$$$$
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SirReal2

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N/A

>  <Target> (172)
Sirtuin

>  <Form> (172)
free base

>  <CAS> (172)
709002-46-0

>  <URL> (172)
http://selleckchem.com/products/sirreal2.html

$$$$
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csChFnd80/06012611192D

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>  <Cat> (173)
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>  <Name> (173)
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>  <Synonyms> (173)
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>  <Target> (173)
c-Met

>  <Form> (173)
free base

>  <CAS> (173)
1313725-88-0

>  <URL> (173)
http://selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
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2314

>  <Formula> (174)
C15H11ClN2OS

>  <MolWeight> (174)
302.77864

>  <Cat> (174)
S7176

>  <Name> (174)
SKI II

>  <Synonyms> (174)
SphK-I2

>  <Target> (174)
SPHK

>  <Form> (174)
free base

>  <CAS> (174)
312636-16-1

>  <URL> (174)
http://selleckchem.com/products/ski-ii.html

$$$$
GSK2334470.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (175)
2318

>  <Formula> (175)
C25H34N8O

>  <MolWeight> (175)
462.59046

>  <Cat> (175)
S7087

>  <Name> (175)
GSK2334470

>  <Synonyms> (175)
N/A

>  <Target> (175)
PDPK1

>  <Form> (175)
free base

>  <CAS> (175)
1227911-45-6

>  <URL> (175)
http://selleckchem.com/products/gsk2334470.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/06012611192D

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>  <Mol_ID> (176)
2321

>  <Formula> (176)
C22H22ClN5O2

>  <MolWeight> (176)
423.89538

>  <Cat> (176)
S7189

>  <Name> (176)
Molibresib (I-BET-762)

>  <Synonyms> (176)
GSK525762, GSK525762A

>  <Target> (176)
Epigenetic Reader Domain

>  <Form> (176)
free base

>  <CAS> (176)
1260907-17-2

>  <URL> (176)
http://selleckchem.com/products/i-bet-762.html

$$$$
Thiamet G.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (177)
2323

>  <Formula> (177)
C9H16N2O4S

>  <MolWeight> (177)
248.29934

>  <Cat> (177)
S7213

>  <Name> (177)
Thiamet G

>  <Synonyms> (177)
N/A

>  <Target> (177)
OGA

>  <Form> (177)
free base

>  <CAS> (177)
1009816-48-1

>  <URL> (177)
http://selleckchem.com/products/thiamet-g.html

$$$$
RGFP966.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (178)
2326

>  <Formula> (178)
C21H19FN4O

>  <MolWeight> (178)
362.4001632

>  <Cat> (178)
S7229

>  <Name> (178)
RGFP966

>  <Synonyms> (178)
N/A

>  <Target> (178)
HDAC

>  <Form> (178)
free base

>  <CAS> (178)
1396841-57-8

>  <URL> (178)
http://selleckchem.com/products/rgfp966.html

$$$$
SGC 0946.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (179)
2331

>  <Formula> (179)
C28H40BrN7O4

>  <MolWeight> (179)
618.5657

>  <Cat> (179)
S7079

>  <Name> (179)
SGC 0946

>  <Synonyms> (179)
N/A

>  <Target> (179)
DOT1,Histone Methyltransferase

>  <Form> (179)
free base

>  <CAS> (179)
1561178-17-3

>  <URL> (179)
http://selleckchem.com/products/sgc-0946.html

$$$$
AZD1981.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (180)
2333

>  <Formula> (180)
C19H17ClN2O3S

>  <MolWeight> (180)
388.86788

>  <Cat> (180)
S7263

>  <Name> (180)
AZD1981

>  <Synonyms> (180)
N/A

>  <Target> (180)
GPR

>  <Form> (180)
free base

>  <CAS> (180)
802904-66-1

>  <URL> (180)
http://selleckchem.com/products/azd1981.html

$$$$
SRPIN340.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (181)
2336

>  <Formula> (181)
C18H18F3N3O

>  <MolWeight> (181)
349.3502296

>  <Cat> (181)
S7270

>  <Name> (181)
SRPIN340

>  <Synonyms> (181)
N/A

>  <Target> (181)
Serine/threonin kinase

>  <Form> (181)
free base

>  <CAS> (181)
218156-96-8

>  <URL> (181)
http://selleckchem.com/products/srpin340.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (182)
2338

>  <Formula> (182)
C27H28F3N7O3

>  <MolWeight> (182)
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>  <Cat> (182)
S7284

>  <Name> (182)
Rociletinib (CO-1686)

>  <Synonyms> (182)
AVL-301

>  <Target> (182)
EGFR

>  <Form> (182)
free base

>  <CAS> (182)
1374640-70-6

>  <URL> (182)
http://selleckchem.com/products/co-1686.html

$$$$
RVX-208(RVX-000222).cdx
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>  <Mol_ID> (183)
2389

>  <Formula> (183)
C20H22N2O5

>  <MolWeight> (183)
370.39908

>  <Cat> (183)
S7295

>  <Name> (183)
Apabetalone (RVX-208)

>  <Synonyms> (183)
RVX-000222

>  <Target> (183)
Epigenetic Reader Domain

>  <Form> (183)
free base

>  <CAS> (183)
1044870-39-4

>  <URL> (183)
http://selleckchem.com/products/rvx-208.html

$$$$
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csChFnd80/06012611192D

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>  <Mol_ID> (184)
2393

>  <Formula> (184)
C18H15N2NaO4

>  <MolWeight> (184)
346.31247

>  <Cat> (184)
S7167

>  <Name> (184)
SSR128129E

>  <Synonyms> (184)
SSR

>  <Target> (184)
FGFR

>  <Form> (184)
free base

>  <CAS> (184)
848318-25-2

>  <URL> (184)
http://selleckchem.com/products/ssr128129e.html

$$$$
UNC1999.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (185)
2396

>  <Formula> (185)
C33H43N7O2

>  <MolWeight> (185)
569.74022

>  <Cat> (185)
S7165

>  <Name> (185)
UNC1999

>  <Synonyms> (185)
N/A

>  <Target> (185)
Apoptosis related,Autophagy,EZH1/2,Histone Methyltransferase

>  <Form> (185)
free base

>  <CAS> (185)
1431612-23-5

>  <URL> (185)
http://selleckchem.com/products/unc1999.html

$$$$
GSK2606414.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (186)
2397

>  <Formula> (186)
C24H20F3N5O

>  <MolWeight> (186)
451.4437096

>  <Cat> (186)
S7307

>  <Name> (186)
GSK2606414

>  <Synonyms> (186)
N/A

>  <Target> (186)
Apoptosis related,Autophagy,PERK

>  <Form> (186)
free base

>  <CAS> (186)
1337531-36-8

>  <URL> (186)
http://selleckchem.com/products/gsk2606414.html

$$$$
AVL-292.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (187)
2400

>  <Formula> (187)
C22H22FN5O3

>  <MolWeight> (187)
423.4401832

>  <Cat> (187)
S7173

>  <Name> (187)
Spebrutinib (CC-292)

>  <Synonyms> (187)
AVL-292

>  <Target> (187)
BTK

>  <Form> (187)
free base

>  <CAS> (187)
1202757-89-8

>  <URL> (187)
http://selleckchem.com/products/avl-292.html

$$$$
LM-3067 4¦Ì8C.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (188)
2418

>  <Formula> (188)
C11H8O4

>  <MolWeight> (188)
204.17882

>  <Cat> (188)
S7272

>  <Name> (188)
4¦Ì8C

>  <Synonyms> (188)
IRE1 Inhibitor III

>  <Target> (188)
IRE1

>  <Form> (188)
free base

>  <CAS> (188)
14003-96-4

>  <URL> (188)
http://selleckchem.com/products/4u8c.html

$$$$
CNX-774.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (189)
2420

>  <Formula> (189)
C26H22FN7O3

>  <MolWeight> (189)
499.4963832

>  <Cat> (189)
S7257

>  <Name> (189)
CNX-774

>  <Synonyms> (189)
N/A

>  <Target> (189)
BTK

>  <Form> (189)
free base

>  <CAS> (189)
1202759-32-7

>  <URL> (189)
http://selleckchem.com/products/cnx-774.html

$$$$
VE-822.cdx
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>  <Mol_ID> (190)
2423

>  <Formula> (190)
C24H25N5O3S

>  <MolWeight> (190)
463.552

>  <Cat> (190)
S7102

>  <Name> (190)
Berzosertib (VE-822)

>  <Synonyms> (190)
VX970, M6620

>  <Target> (190)
ATM/ATR

>  <Form> (190)
free base

>  <CAS> (190)
1232416-25-9

>  <URL> (190)
http://selleckchem.com/products/ve-822.html

$$$$
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csChFnd80/06012611192D

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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (191)
2424

>  <Formula> (191)
C12H12N4O4S

>  <MolWeight> (191)
308.31308

>  <Cat> (191)
S7435

>  <Name> (191)
AR-A014418

>  <Synonyms> (191)
GSK-3¦Â Inhibitor VIII

>  <Target> (191)
GSK-3

>  <Form> (191)
free base

>  <CAS> (191)
487021-52-3

>  <URL> (191)
http://selleckchem.com/products/A014418.html

$$$$
GSK2656157.cdx
csChFnd80/06012611192D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.1311    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435    1.0641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8874    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6262    4.1789    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9235   10.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541   11.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6076   13.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152   14.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923   12.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618   11.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  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
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 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
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (192)
2427

>  <Formula> (192)
C23H21FN6O

>  <MolWeight> (192)
416.4508432

>  <Cat> (192)
S7033

>  <Name> (192)
GSK2656157

>  <Synonyms> (192)
N/A

>  <Target> (192)
Apoptosis related,Autophagy,PERK

>  <Form> (192)
free base

>  <CAS> (192)
1337532-29-2

>  <URL> (192)
http://selleckchem.com/products/gsk2656157.html

$$$$
MK8745.cdx
csChFnd80/06012611192D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    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
   13.3157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5905    4.3233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8273    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4579    6.2850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 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 10  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 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 22 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 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 25  1  0  0  0  0
M  END
>  <Mol_ID> (193)
2428

>  <Formula> (193)
C20H19ClFN5OS

>  <MolWeight> (193)
431.9141632

>  <Cat> (193)
S7065

>  <Name> (193)
MK-8745

>  <Synonyms> (193)
N/A

>  <Target> (193)
Aurora Kinase

>  <Form> (193)
free base

>  <CAS> (193)
885325-71-3

>  <URL> (193)
http://selleckchem.com/products/mk-8745.html

$$$$
Atglistatin.cdx
csChFnd80/06012611192D

 21 22  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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    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
    8.4870    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
    6.0622    5.6000    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
   12.1244    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  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
 12 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
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (194)
2433

>  <Formula> (194)
C17H21N3O

>  <MolWeight> (194)
283.36814

>  <Cat> (194)
S7364

>  <Name> (194)
Atglistatin

>  <Synonyms> (194)
N/A

>  <Target> (194)
Lipase

>  <Form> (194)
free base

>  <CAS> (194)
1469924-27-3

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

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
csChFnd80/06012611192D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.2540    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8499    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5530    4.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4661    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6790    2.7997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4661    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    0.6988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8912    2.0999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8912    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1037    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1036    0.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6787    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1037    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3160    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8914    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3162    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5284    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7409    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7409    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9533    0.0001    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
  2  5  1  1  0  0  0
  2  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  1  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (195)
2436

>  <Formula> (195)
C17H30N2O5

>  <MolWeight> (195)
342.4305

>  <Cat> (195)
S7393

>  <Name> (195)
Aloxistatin (E64d)

>  <Synonyms> (195)
E-64d

>  <Target> (195)
COVID-19,Cysteine Protease

>  <Form> (195)
free base

>  <CAS> (195)
88321-09-9

>  <URL> (195)
http://selleckchem.com/products/Aloxistatin.html

$$$$
LM-3230 NH125.cdx
csChFnd80/06012611192D

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.6314    6.0272    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2770    3.7898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670    4.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2486    5.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    4.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961    2.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031    1.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    4.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0221    0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8911    2.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5670    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9670    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6670    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3670    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7670    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9670    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8670    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5670    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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CaMK

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iodide

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278603-08-0

>  <URL> (196)
http://selleckchem.com/products/nh125.html

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csChFnd80/06012611192D

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1-Azakenpaullone

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GSK-3

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free base

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676596-65-9

>  <URL> (197)
http://selleckchem.com/products/1-azakenpaullone.html

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Nexturastat A

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N/A

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HDAC

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free base

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1403783-31-2

>  <URL> (198)
http://selleckchem.com/products/nexturastat-a.html

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free base

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1432660-47-3

>  <URL> (199)
http://selleckchem.com/products/agi-6780.html

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1285702-20-6

>  <URL> (200)
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   10.3982    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 10  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (201)
2458

>  <Formula> (201)
C22H16N4O

>  <MolWeight> (201)
352.38864

>  <Cat> (201)
S7148

>  <Name> (201)
ML347

>  <Synonyms> (201)
LDN-193719

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

>  <Form> (201)
free base

>  <CAS> (201)
1062368-49-3

>  <URL> (201)
http://selleckchem.com/products/ml347.html

$$$$
DMH1.cdx
csChFnd80/06012611192D

 29 33  0  0  0  0  0  0  0  0999 V2000
    6.0496    5.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8059    6.2551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165   10.7103    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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  6  1  2  0  0  0  0
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 11 12  2  0  0  0  0
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M  END
>  <Mol_ID> (202)
2462

>  <Formula> (202)
C24H20N4O

>  <MolWeight> (202)
380.4418

>  <Cat> (202)
S7146

>  <Name> (202)
DMH1

>  <Synonyms> (202)
N/A

>  <Target> (202)
Autophagy,TGF-beta/Smad

>  <Form> (202)
free base

>  <CAS> (202)
1206711-16-1

>  <URL> (202)
http://selleckchem.com/products/dmh1.html

$$$$
CGP 57380.cdx
csChFnd80/06012611192D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
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M  END
>  <Mol_ID> (203)
2465

>  <Formula> (203)
C11H9FN6

>  <MolWeight> (203)
244.2277632

>  <Cat> (203)
S7421

>  <Name> (203)
CGP 57380

>  <Synonyms> (203)
N/A

>  <Target> (203)
Apoptosis related,MNK,Wnt/beta-catenin

>  <Form> (203)
free base

>  <CAS> (203)
522629-08-9

>  <URL> (203)
http://selleckchem.com/products/cgp57380.html

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/06012611192D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (204)
2466

>  <Formula> (204)
C15H26N2O5

>  <MolWeight> (204)
314.37734

>  <Cat> (204)
S7392

>  <Name> (204)
Loxistatin Acid (E-64C)

>  <Synonyms> (204)
NSC 694279, EP 475

>  <Target> (204)
COVID-19,Cysteine Protease

>  <Form> (204)
free base

>  <CAS> (204)
76684-89-4

>  <URL> (204)
http://selleckchem.com/products/loxistatin-acid-e-64c.html

$$$$
NMS-E973.cdx
csChFnd80/06012611192D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (205)
2469

>  <Formula> (205)
C22H22N4O7

>  <MolWeight> (205)
454.43268

>  <Cat> (205)
S7282

>  <Name> (205)
NMS-E973

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N/A

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HSP (HSP90)

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free base

>  <CAS> (205)
1253584-84-7

>  <URL> (205)
http://selleckchem.com/products/nms-e973.html

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C28H33N7O2

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>  <Name> (206)
Osimertinib (AZD9291)

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Mereletinib

>  <Target> (206)
EGFR

>  <Form> (206)
free base

>  <CAS> (206)
1421373-65-0

>  <URL> (206)
http://selleckchem.com/products/azd9291.html

$$$$
Z-FA-FMK.cdx
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>  <Mol_ID> (207)
2481

>  <Formula> (207)
C21H23FN2O4

>  <MolWeight> (207)
386.4167232

>  <Cat> (207)
S7391

>  <Name> (207)
Z-FA-FMK

>  <Synonyms> (207)
(1S)-Z-FA-FMK

>  <Target> (207)
Cysteine Protease

>  <Form> (207)
free base

>  <CAS> (207)
197855-65-5

>  <URL> (207)
http://selleckchem.com/products/z-fa-fmk.html

$$$$
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>  <Mol_ID> (208)
2492

>  <Formula> (208)
C24H20F3N5O4S

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>  <Cat> (208)
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>  <Name> (208)
Alvelestat (AZD9668)

>  <Synonyms> (208)
Avelestat

>  <Target> (208)
Serine Protease

>  <Form> (208)
free base

>  <CAS> (208)
848141-11-7

>  <URL> (208)
http://selleckchem.com/products/avelestat-azd9668.html

$$$$
Darapladib.cdx
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M  END
>  <Mol_ID> (209)
2493

>  <Formula> (209)
C36H38F4N4O2S

>  <MolWeight> (209)
666.7711328

>  <Cat> (209)
S7520

>  <Name> (209)
Darapladib (SB-480848)

>  <Synonyms> (209)
N/A

>  <Target> (209)
Phospholipase (e.g. PLA)

>  <Form> (209)
free base

>  <CAS> (209)
356057-34-6

>  <URL> (209)
http://selleckchem.com/products/darapladib-sb-480848.html

$$$$

csChFnd80/06012611192D

 34 36  0  0  0  0  0  0  0  0999 V2000
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   20.4987    4.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5001    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (210)
2495

>  <Formula> (210)
C27H32ClNO4S

>  <MolWeight> (210)
502.06528

>  <Cat> (210)
S7177

>  <Name> (210)
PF-543 hydrochloride

>  <Synonyms> (210)
N/A

>  <Target> (210)
Apoptosis related,Autophagy,SPHK

>  <Form> (210)
hydrochloride

>  <CAS> (210)
1706522-79-3

>  <URL> (210)
http://selleckchem.com/products/pf-543.html

$$$$
PTC-209 HBr.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (211)
2498

>  <Formula> (211)
C17H14Br3N5OS

>  <MolWeight> (211)
576.10296

>  <Cat> (211)
S7539

>  <Name> (211)
PTC-209 HBr

>  <Synonyms> (211)
N/A

>  <Target> (211)
BMI-1

>  <Form> (211)
free base

>  <CAS> (211)
1217022-63-3

>  <URL> (211)
http://selleckchem.com/products/ptc-209-hbr.html

$$$$
LDC000067.cdx
csChFnd80/06012611192D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (212)
2502

>  <Formula> (212)
C18H18N4O3S

>  <MolWeight> (212)
370.42552

>  <Cat> (212)
S7461

>  <Name> (212)
LDC000067

>  <Synonyms> (212)
LDC067

>  <Target> (212)
CDK

>  <Form> (212)
free base

>  <CAS> (212)
1073485-20-7

>  <URL> (212)
http://selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (213)
2504

>  <Formula> (213)
C26H30N6O3

>  <MolWeight> (213)
474.5548

>  <Cat> (213)
S7525

>  <Name> (213)
XMD8-92

>  <Synonyms> (213)
N/A

>  <Target> (213)
Epigenetic Reader Domain,ERK

>  <Form> (213)
free base

>  <CAS> (213)
1234480-50-2

>  <URL> (213)
http://selleckchem.com/products/xmd8-92.html

$$$$
CGI1746 .cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (214)
2507

>  <Formula> (214)
C34H37N5O4

>  <MolWeight> (214)
579.68868

>  <Cat> (214)
S7051

>  <Name> (214)
CGI1746

>  <Synonyms> (214)
N/A

>  <Target> (214)
BTK

>  <Form> (214)
free base

>  <CAS> (214)
910232-84-7

>  <URL> (214)
http://selleckchem.com/products/cgi1746.html

$$$$
PI-1840.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (215)
2508

>  <Formula> (215)
C22H26N4O3

>  <MolWeight> (215)
394.46684

>  <Cat> (215)
S7462

>  <Name> (215)
PI-1840

>  <Synonyms> (215)
N/A

>  <Target> (215)
Proteasome

>  <Form> (215)
free base

>  <CAS> (215)
1401223-22-0

>  <URL> (215)
http://selleckchem.com/products/pi-1840.html

$$$$
AEBSF hydrochloride .cdx
csChFnd80/06012611192D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
2510

>  <Formula> (216)
C8H11ClFNO2S

>  <MolWeight> (216)
239.6948432

>  <Cat> (216)
S7378

>  <Name> (216)
AEBSF HCl

>  <Synonyms> (216)
N/A

>  <Target> (216)
Serine Protease

>  <Form> (216)
Hydrochloride

>  <CAS> (216)
30827-99-7

>  <URL> (216)
http://selleckchem.com/products/aebsf-hcl.html

$$$$
MALT1 inhibitor.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (217)
2511

>  <Formula> (217)
C19H17Cl3N4O3

>  <MolWeight> (217)
455.72228

>  <Cat> (217)
S7429

>  <Name> (217)
MI-2 (MALT1 inhibitor)

>  <Synonyms> (217)
N/A

>  <Target> (217)
MALT

>  <Form> (217)
free base

>  <CAS> (217)
1047953-91-2

>  <URL> (217)
http://selleckchem.com/products/mi-2-malt1-inhibitor.html

$$$$
HJC0350.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (218)
2522

>  <Formula> (218)
C15H19NO2S

>  <MolWeight> (218)
277.38186

>  <Cat> (218)
S7500

>  <Name> (218)
HJC0350

>  <Synonyms> (218)
N/A

>  <Target> (218)
cAMP

>  <Form> (218)
free base

>  <CAS> (218)
885434-70-8

>  <URL> (218)
http://selleckchem.com/products/hjc0350.html

$$$$
HO-3867.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (219)
2523

>  <Formula> (219)
C28H30F2N2O2

>  <MolWeight> (219)
464.5468064

>  <Cat> (219)
S7501

>  <Name> (219)
HO-3867

>  <Synonyms> (219)
N/A

>  <Target> (219)
Apoptosis related,STAT

>  <Form> (219)
free base

>  <CAS> (219)
1172133-28-6

>  <URL> (219)
http://selleckchem.com/products/ho-3867.html

$$$$
SB-3CT.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (220)
2528

>  <Formula> (220)
C15H14O3S2

>  <MolWeight> (220)
306.39986

>  <Cat> (220)
S7430

>  <Name> (220)
SB-3CT

>  <Synonyms> (220)
N/A

>  <Target> (220)
MMP

>  <Form> (220)
free base

>  <CAS> (220)
292605-14-2

>  <URL> (220)
http://selleckchem.com/products/sb-3ct.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (221)
2541

>  <Formula> (221)
C15H22N2O3

>  <MolWeight> (221)
278.34678

>  <Cat> (221)
S7595

>  <Name> (221)
Santacruzamate A (CAY10683)

>  <Synonyms> (221)
N/A

>  <Target> (221)
HDAC

>  <Form> (221)
free base

>  <CAS> (221)
1477949-42-0

>  <URL> (221)
http://selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
6H05.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (222)
2542

>  <Formula> (222)
C22H31ClF3N3O4S3

>  <MolWeight> (222)
590.1424496

>  <Cat> (222)
S7330

>  <Name> (222)
6H05

>  <Synonyms> (222)
N/A

>  <Target> (222)
Ras

>  <Form> (222)
free base

>  <CAS> (222)
2061344-88-3

>  <URL> (222)
http://selleckchem.com/products/6h05.html

$$$$
NMS-P937.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (223)
2543

>  <Formula> (223)
C24H27F3N8O3

>  <MolWeight> (223)
532.5181896

>  <Cat> (223)
S7255

>  <Name> (223)
Onvansertib (NMS-P937)

>  <Synonyms> (223)
PCM-075, NMS1286937

>  <Target> (223)
Apoptosis related,PLK

>  <Form> (223)
free base

>  <CAS> (223)
1034616-18-6

>  <URL> (223)
http://selleckchem.com/products/nms-p937-nms1286937.html

$$$$
Z-DEVD-FMK.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (224)
2550

>  <Formula> (224)
C31H42FN3O12

>  <MolWeight> (224)
667.6764832

>  <Cat> (224)
S7312

>  <Name> (224)
Z-DEVD-FMK

>  <Synonyms> (224)
Caspase-3 Inhibitor

>  <Target> (224)
Caspase

>  <Form> (224)
free base

>  <CAS> (224)
210344-95-9

>  <URL> (224)
http://selleckchem.com/products/z-devd-fmk.html

$$$$
PFI-2.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (225)
2567

>  <Formula> (225)
C23H25F4N3O3S

>  <MolWeight> (225)
499.5215128

>  <Cat> (225)
S7294

>  <Name> (225)
PFI-2 HCl

>  <Synonyms> (225)
N/A

>  <Target> (225)
Histone Methyltransferase,SETD

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Hydrochloride

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1627607-87-7

>  <URL> (225)
http://selleckchem.com/products/pfi-2.html

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Bisindolylmaleimide I (GF109203X)

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GO 6850

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PKC

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free base

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133052-90-1

>  <URL> (226)
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1062243-51-9

>  <URL> (227)
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>  <Mol_ID> (230)
2594

>  <Formula> (230)
C19H20ClN3O5S

>  <MolWeight> (230)
437.8972

>  <Cat> (230)
S7680

>  <Name> (230)
SP2509

>  <Synonyms> (230)
HCI-2509

>  <Target> (230)
Apoptosis related,Autophagy,Histone Demethylase,LSD1

>  <Form> (230)
free base

>  <CAS> (230)
1423715-09-6

>  <URL> (230)
http://selleckchem.com/products/sp2509.html

$$$$
GSK1324726A (I-BET726).cdx
csChFnd80/06012611192D

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>  <Mol_ID> (231)
2595

>  <Formula> (231)
C25H23ClN2O3

>  <MolWeight> (231)
434.91472

>  <Cat> (231)
S7620

>  <Name> (231)
GSK1324726A (I-BET726)

>  <Synonyms> (231)
N/A

>  <Target> (231)
Epigenetic Reader Domain

>  <Form> (231)
free base

>  <CAS> (231)
1300031-52-0

>  <URL> (231)
http://selleckchem.com/products/gsk1324726a-i-bet726.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/06012611192D

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>  <Mol_ID> (232)
2601

>  <Formula> (232)
C22H22O8

>  <MolWeight> (232)
414.40528

>  <Cat> (232)
S7668

>  <Name> (232)
Picropodophyllin (PPP)

>  <Synonyms> (232)
AXL1717

>  <Target> (232)
Apoptosis related,IGF-1R

>  <Form> (232)
free base

>  <CAS> (232)
477-47-4

>  <URL> (232)
http://selleckchem.com/products/picropodophyllin-ppp.html

$$$$
CAY10603.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (233)
2604

>  <Formula> (233)
C22H30N4O6

>  <MolWeight> (233)
446.4968

>  <Cat> (233)
S7596

>  <Name> (233)
CAY10603

>  <Synonyms> (233)
BML-281

>  <Target> (233)
HDAC

>  <Form> (233)
free base

>  <CAS> (233)
1045792-66-2

>  <URL> (233)
http://selleckchem.com/products/cay10603.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/06012611192D

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    8.4870    2.1000    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    1.4000    0.0000 F   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
    7.2746    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 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 14  1  0  0  0  0
 17 20  1  0  0  0  0
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  3 24  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
>  <Mol_ID> (234)
2616

>  <Formula> (234)
C23H21Cl2FN4O3

>  <MolWeight> (234)
491.3422432

>  <Cat> (234)
S7358

>  <Name> (234)
Poziotinib (HM781-36B)

>  <Synonyms> (234)
NOV120101

>  <Target> (234)
Apoptosis related,EGFR,HER2

>  <Form> (234)
free base

>  <CAS> (234)
1092364-38-9

>  <URL> (234)
http://selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
TH588.cdx
csChFnd80/06012611192D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    6.2497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4622    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9124    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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
  4 14  1  0  0  0  0
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  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 17  1  0  0  0  0
M  END
>  <Mol_ID> (235)
2619

>  <Formula> (235)
C13H12Cl2N4

>  <MolWeight> (235)
295.16718

>  <Cat> (235)
S7632

>  <Name> (235)
TH588

>  <Synonyms> (235)
N/A

>  <Target> (235)
MTH1,NUDIX

>  <Form> (235)
free base

>  <CAS> (235)
1609960-31-7

>  <URL> (235)
http://selleckchem.com/products/th588.html

$$$$
BAF312 (Siponimod).cdx
csChFnd80/06012611192D

 37 40  0  0  0  0  0  0  0  0999 V2000
    4.1395    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2017    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6266    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4763    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.9012    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.3887    3.6876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9012    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1136    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1136    0.7000    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
  1  4  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 10 15  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 26  2  0  0  0  0
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 28 29  1  0  0  0  0
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 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
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 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 25 32  1  0  0  0  0
 21 22  1  0  0  0  0
 19 20  1  0  0  0  0
 17 19  2  0  0  0  0
 12 17  1  0  0  0  0
  8  9  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
>  <Mol_ID> (236)
2624

>  <Formula> (236)
C29H35F3N2O3

>  <MolWeight> (236)
516.5950096

>  <Cat> (236)
S7179

>  <Name> (236)
Siponimod (BAF312)

>  <Synonyms> (236)
N/A

>  <Target> (236)
S1P Receptor

>  <Form> (236)
free base

>  <CAS> (236)
1230487-00-9

>  <URL> (236)
http://selleckchem.com/products/baf312-siponimod.html

$$$$
FTI 277 HCl.cdx
csChFnd80/06012611192D

 31 31  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
    8.4870    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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  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    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    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  1  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 S   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  2  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 S   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   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
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    1.2728    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
  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
  5 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
 13 19  2  0  0  0  0
  2 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
 22 24  1  1  0  0  0
 23 25  1  0  0  0  0
 15 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
>  <Mol_ID> (237)
2625

>  <Formula> (237)
C22H30ClN3O3S2

>  <MolWeight> (237)
484.0749

>  <Cat> (237)
S7465

>  <Name> (237)
FTI 277 HCl

>  <Synonyms> (237)
N/A

>  <Target> (237)
Anti-infection,Apoptosis related,FTase,Transferase

>  <Form> (237)
hydrochloride salt

>  <CAS> (237)
180977-34-8

>  <URL> (237)
http://selleckchem.com/products/fti-277-hcl.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/06012611192D

 32 33  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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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (238)
2627

>  <Formula> (238)
C24H28Cl2N2O4

>  <MolWeight> (238)
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>  <Cat> (238)
S7720

>  <Name> (238)
SBE 13 HCl

>  <Synonyms> (238)
N/A

>  <Target> (238)
PLK

>  <Form> (238)
hydrochloride

>  <CAS> (238)
1052532-15-6

>  <URL> (238)
http://selleckchem.com/products/sbe-13-hcl.html

$$$$
SD208.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (239)
2630

>  <Formula> (239)
C17H10ClFN6

>  <MolWeight> (239)
352.7529032

>  <Cat> (239)
S7624

>  <Name> (239)
SD-208

>  <Synonyms> (239)
N/A

>  <Target> (239)
TGF-beta/Smad

>  <Form> (239)
free base

>  <CAS> (239)
627536-09-8

>  <URL> (239)
http://selleckchem.com/products/sd-208.html

$$$$
XEN445.cdx
csChFnd80/06012611192D

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A   27
(S)-2-(3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid
M  END
>  <Mol_ID> (240)
2632

>  <Formula> (240)
C18H17F3N2O3R

>  <MolWeight> (240)
366.3343896

>  <Cat> (240)
S7457

>  <Name> (240)
XEN445

>  <Synonyms> (240)
N/A

>  <Target> (240)
Lipase

>  <Form> (240)
free base

>  <CAS> (240)
1515856-92-4

>  <URL> (240)
http://selleckchem.com/products/xen445.html

$$$$
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M  END
>  <Mol_ID> (241)
2635

>  <Formula> (241)
C30H26F2N4O5

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560.5480464

>  <Cat> (241)
S7638

>  <Name> (241)
LDC1267

>  <Synonyms> (241)
N/A

>  <Target> (241)
Axl,Mertk,Tyro3

>  <Form> (241)
free base

>  <CAS> (241)
1361030-48-9

>  <URL> (241)
http://selleckchem.com/products/ldc1267.html

$$$$
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>  <Mol_ID> (242)
2639

>  <Formula> (242)
C20H22N4O3S

>  <MolWeight> (242)
398.47868

>  <Cat> (242)
S7725

>  <Name> (242)
BLZ945

>  <Synonyms> (242)
Sotuletinib

>  <Target> (242)
CSF-1R

>  <Form> (242)
free base

>  <CAS> (242)
953769-46-5

>  <URL> (242)
http://selleckchem.com/products/blz945.html

$$$$
LY2090314.cdx
csChFnd80/06012611192D

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   13.8356    7.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1716    2.2143    0.0000 F   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  1  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 13  6  1  0  0  0  0
  2 14  1  0  0  0  0
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 14 16  2  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
 19 20  1  0  0  0  0
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 21 15  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
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 37 33  1  0  0  0  0
  9 38  1  0  0  0  0
M  END
>  <Mol_ID> (243)
2641

>  <Formula> (243)
C28H25FN6O3

>  <MolWeight> (243)
512.5349032

>  <Cat> (243)
S7063

>  <Name> (243)
LY2090314

>  <Synonyms> (243)
N/A

>  <Target> (243)
GSK-3

>  <Form> (243)
free base

>  <CAS> (243)
603288-22-8

>  <URL> (243)
http://selleckchem.com/products/ly2090314.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/06012611192D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9497    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   23.9475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.9475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 10 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
M  END
>  <Mol_ID> (244)
2645

>  <Formula> (244)
C14H22Cl2N2

>  <MolWeight> (244)
289.24388

>  <Cat> (244)
S7574

>  <Name> (244)
GSK-LSD1 2HCl

>  <Synonyms> (244)
N/A

>  <Target> (244)
Histone Demethylase,LSD1

>  <Form> (244)
dihydrochloride

>  <CAS> (244)
2102933-95-7

>  <URL> (244)
http://selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
EPZ015666.cdx
csChFnd80/06012611192D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9271    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8390    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  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
 12 13  1  0  0  0  0
  9 14  2  0  0  0  0
 12 15  1  1  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (245)
2650

>  <Formula> (245)
C20H25N5O3

>  <MolWeight> (245)
383.4442

>  <Cat> (245)
S7748

>  <Name> (245)
EPZ015666 (GSK3235025)

>  <Synonyms> (245)
GSK3235025

>  <Target> (245)
Histone Methyltransferase,PRMT

>  <Form> (245)
free base

>  <CAS> (245)
1616391-65-1

>  <URL> (245)
http://selleckchem.com/products/epz015666.html

$$$$
Erlotinib free Base.cdx
csChFnd80/06012611192D

 29 31  0  0  0  0  0  0  0  0999 V2000
    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
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    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 N   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    0.0000    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
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    1.2124    6.3000    0.0000 O   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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   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7602    3.5000    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    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  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 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
  2 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
 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> (246)
2655

>  <Formula> (246)
C22H23N3O4

>  <MolWeight> (246)
393.43572

>  <Cat> (246)
S7786

>  <Name> (246)
Erlotinib (OSI-774)

>  <Synonyms> (246)
CP358774, NSC 718781, Tarceva

>  <Target> (246)
Autophagy,EGFR

>  <Form> (246)
free base

>  <CAS> (246)
183321-74-6

>  <URL> (246)
http://selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/06012611192D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   13.3339    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1215    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5463    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (247)
2656

>  <Formula> (247)
C18H13BrN4O

>  <MolWeight> (247)
381.22602

>  <Cat> (247)
S7557

>  <Name> (247)
CL-387785 (EKI-785)

>  <Synonyms> (247)
WAY-EKI 785

>  <Target> (247)
EGFR

>  <Form> (247)
free base

>  <CAS> (247)
194423-06-8

>  <URL> (247)
http://selleckchem.com/products/cl-387785-eki-785.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (248)
2666

>  <Formula> (248)
C32H33ClFN5O11

>  <MolWeight> (248)
718.0827232

>  <Cat> (248)
S7810

>  <Name> (248)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (248)
N/A

>  <Target> (248)
Autophagy,EGFR,HER2

>  <Form> (248)
Dimaleate

>  <CAS> (248)
850140-73-7

>  <URL> (248)
http://selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
HTH-01-015.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (249)
2693

>  <Formula> (249)
C26H28N8O

>  <MolWeight> (249)
468.55352

>  <Cat> (249)
S7318

>  <Name> (249)
HTH-01-015

>  <Synonyms> (249)
N/A

>  <Target> (249)
AMPK

>  <Form> (249)
free base

>  <CAS> (249)
1613724-42-7

>  <URL> (249)
http://selleckchem.com/products/hth-01-015.html

$$$$
BPTES.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (250)
2697

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C24H24N6O2S3

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BPTES

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N/A

>  <Target> (250)
Glutaminase

>  <Form> (250)
free base

>  <CAS> (250)
314045-39-1

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

$$$$
PFI-4.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (251)
2707

>  <Formula> (251)
C21H24N4O3

>  <MolWeight> (251)
380.44026

>  <Cat> (251)
S7906

>  <Name> (251)
PFI-4

>  <Synonyms> (251)
N/A

>  <Target> (251)
Epigenetic Reader Domain

>  <Form> (251)
free base

>  <CAS> (251)
900305-37-5

>  <URL> (251)
http://selleckchem.com/products/pfi-4.html

$$$$
FIIN-2.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (252)
2719

>  <Formula> (252)
C35H38N8O4

>  <MolWeight> (252)
634.72742

>  <Cat> (252)
S7714

>  <Name> (252)
FIIN-2

>  <Synonyms> (252)
N/A

>  <Target> (252)
FGFR

>  <Form> (252)
free base

>  <CAS> (252)
1633044-56-0

>  <URL> (252)
http://selleckchem.com/products/fiin-2.html

$$$$
ORY-1001.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (253)
2722

>  <Formula> (253)
C15H24Cl2N2

>  <MolWeight> (253)
303.27046

>  <Cat> (253)
S7795

>  <Name> (253)
Iadademstat (ORY-1001) 2HCl

>  <Synonyms> (253)
RG-6016

>  <Target> (253)
Histone Demethylase,LSD1

>  <Form> (253)
dihydrochloride

>  <CAS> (253)
1431326-61-2

>  <URL> (253)
http://selleckchem.com/products/ory-1001-rg-6016.html

$$$$
Fumagillin.cdx
csChFnd80/06012611192D

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M  CFW  13 B_NG_STER 2
M  END
>  <Mol_ID> (254)
2729

>  <Formula> (254)
C26H34O7

>  <MolWeight> (254)
458.54396

>  <Cat> (254)
S7784

>  <Name> (254)
Fumagillin

>  <Synonyms> (254)
Amebacilin,NSC9168

>  <Target> (254)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (254)
free base

>  <CAS> (254)
23110-15-8

>  <URL> (254)
http://selleckchem.com/products/fumagillin.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (255)
2731

>  <Formula> (255)
C24H20Cl2FN5O2

>  <MolWeight> (255)
500.3523032

>  <Cat> (255)
S7709

>  <Name> (255)
VX-11e

>  <Synonyms> (255)
VTX-11e, Vertex-11e

>  <Target> (255)
ERK

>  <Form> (255)
free base

>  <CAS> (255)
896720-20-0

>  <URL> (255)
http://selleckchem.com/products/vx-11e.html

$$$$
NVP-TNKS656.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (256)
2735

>  <Formula> (256)
C27H34N4O5

>  <MolWeight> (256)
494.58266

>  <Cat> (256)
S7238

>  <Name> (256)
NVP-TNKS656

>  <Synonyms> (256)
N/A

>  <Target> (256)
PARP

>  <Form> (256)
free base

>  <CAS> (256)
1419949-20-4

>  <URL> (256)
http://selleckchem.com/products/nvp-tnks656.html

$$$$
GSK2879552.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (257)
2744

>  <Formula> (257)
C23H30Cl2N2O2

>  <MolWeight> (257)
437.4025

>  <Cat> (257)
S7796

>  <Name> (257)
GSK2879552 2HCl

>  <Synonyms> (257)
N/A

>  <Target> (257)
Histone Demethylase,LSD1

>  <Form> (257)
dihydrochloride

>  <CAS> (257)
1902123-72-1

>  <URL> (257)
http://selleckchem.com/products/gsk2879552-2hcl.html

$$$$
CC-223.cdx
csChFnd80/06012611192D

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1383716-33-3

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1645286-75-4

>  <URL> (260)
http://selleckchem.com/products/az6102.html

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M  END
>  <Mol_ID> (262)
2767

>  <Formula> (262)
C24H22F2N6O3S

>  <MolWeight> (262)
512.5316864

>  <Cat> (262)
S7964

>  <Name> (262)
PLX7904

>  <Synonyms> (262)
PB04

>  <Target> (262)
Raf

>  <Form> (262)
free base

>  <CAS> (262)
1393465-84-3

>  <URL> (262)
http://selleckchem.com/products/plx7904.html

$$$$
A-366.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (263)
2773

>  <Formula> (263)
C19H27N3O2

>  <MolWeight> (263)
329.43658

>  <Cat> (263)
S7572

>  <Name> (263)
A-366

>  <Synonyms> (263)
N/A

>  <Target> (263)
G9a/GLP,Histone Methyltransferase

>  <Form> (263)
free base

>  <CAS> (263)
1527503-11-2

>  <URL> (263)
http://selleckchem.com/products/a-366.html

$$$$
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csChFnd80/06012611192D

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M  END
>  <Mol_ID> (264)
2778

>  <Formula> (264)
C24H28N6O5S

>  <MolWeight> (264)
512.58132

>  <Cat> (264)
S7938

>  <Name> (264)
GSK2292767

>  <Synonyms> (264)
N/A

>  <Target> (264)
PI3K

>  <Form> (264)
free base

>  <CAS> (264)
1254036-66-2

>  <URL> (264)
http://selleckchem.com/products/gsk2292767.html

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/06012611192D

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>  <Mol_ID> (265)
2787

>  <Formula> (265)
C26H27F4N3O7

>  <MolWeight> (265)
569.5020928

>  <Cat> (265)
S7775

>  <Name> (265)
Emricasan (IDN-6556)

>  <Synonyms> (265)
PF 03491390, PF-03491390

>  <Target> (265)
Antiviral,Caspase

>  <Form> (265)
free base

>  <CAS> (265)
254750-02-2

>  <URL> (265)
http://selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

$$$$
SIS3.cdx
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   13.9890    7.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6890    8.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (266)
2795

>  <Formula> (266)
C28H28ClN3O3

>  <MolWeight> (266)
489.99322

>  <Cat> (266)
S7959

>  <Name> (266)
SIS3 HCl

>  <Synonyms> (266)
N/A

>  <Target> (266)
TGF-beta/Smad

>  <Form> (266)
hydrochloride

>  <CAS> (266)
521984-48-5

>  <URL> (266)
https://www.selleckchem.com/products/sis3-hcl.html

$$$$
BAY-61-3606.cdx
csChFnd80/06012611192D

 31 32  0  0  0  0  0  0  0  0999 V2000
   16.9421    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7296    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7296    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9421    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1545    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5172    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9421    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.6416    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (267)
2798

>  <Formula> (267)
C20H20Cl2N6O3

>  <MolWeight> (267)
463.3172

>  <Cat> (267)
S7006

>  <Name> (267)
BAY-61-3606

>  <Synonyms> (267)
N/A

>  <Target> (267)
Apoptosis related,Syk

>  <Form> (267)
dihydrochloride

>  <CAS> (267)
648903-57-5

>  <URL> (267)
http://selleckchem.com/products/bay-61-3606.html

$$$$
LOXO-101.cdx
csChFnd80/06012611192D

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   10.7127    2.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 10  1  0  0  0  0
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 32 35  1  0  0  0  0
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M  END
>  <Mol_ID> (268)
2799

>  <Formula> (268)
C21H24F2N6O6S

>  <MolWeight> (268)
526.5136664

>  <Cat> (268)
S7960

>  <Name> (268)
Larotrectinib (LOXO-101) sulfate

>  <Synonyms> (268)
ARRY-470, Larotrectinib

>  <Target> (268)
Apoptosis related,Trk receptor

>  <Form> (268)
sulfate

>  <CAS> (268)
1223405-08-0

>  <URL> (268)
http://selleckchem.com/products/loxo-101.html

$$$$
BDA-366.cdx
csChFnd80/06012611192D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (269)
2807

>  <Formula> (269)
C24H29N3O4

>  <MolWeight> (269)
423.50476

>  <Cat> (269)
S7849

>  <Name> (269)
BDA-366

>  <Synonyms> (269)
N/A

>  <Target> (269)
Bcl-2

>  <Form> (269)
free base

>  <CAS> (269)
1909226-00-1

>  <URL> (269)
http://selleckchem.com/products/bda-366.html

$$$$
untitled.cdx
csChFnd80/06012611192D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (270)
2808

>  <Formula> (270)
C38H47ClN4O4

>  <MolWeight> (270)
659.25718

>  <Cat> (270)
S7875

>  <Name> (270)
NVP-CGM097

>  <Synonyms> (270)
CGM-097

>  <Target> (270)
MDM2/MDMX

>  <Form> (270)
free base

>  <CAS> (270)
1313363-54-0

>  <URL> (270)
http://selleckchem.com/products/nvp-cgm097.html

$$$$
CA-074 methyl ester.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (271)
2812

>  <Formula> (271)
C19H31N3O6

>  <MolWeight> (271)
397.46594

>  <Cat> (271)
S7420

>  <Name> (271)
CA-074 methyl ester (CA-074 Me)

>  <Synonyms> (271)
Cathepsin B Inhibitor IV

>  <Target> (271)
Cathepsin B,Cysteine Protease

>  <Form> (271)
free base

>  <CAS> (271)
147859-80-1

>  <URL> (271)
http://selleckchem.com/products/ca-074-methyl-ester.html

$$$$
THZ1.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (272)
2817

>  <Formula> (272)
C31H30Cl3N7O2

>  <MolWeight> (272)
638.9746

>  <Cat> (272)
S7549

>  <Name> (272)
THZ1 2HCl

>  <Synonyms> (272)
N/A

>  <Target> (272)
CDK

>  <Form> (272)
dihydrochloride

>  <CAS> (272)
2095433-94-4

>  <URL> (272)
http://selleckchem.com/products/thz1.html

$$$$
EPZ020411.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (273)
2820

>  <Formula> (273)
C25H40Cl2N4O3

>  <MolWeight> (273)
515.5161

>  <Cat> (273)
S7820

>  <Name> (273)
EPZ020411 2HCl

>  <Synonyms> (273)
N/A

>  <Target> (273)
Histone Methyltransferase,PRMT

>  <Form> (273)
dihydrochloride

>  <CAS> (273)
2070015-25-5

>  <URL> (273)
http://selleckchem.com/products/epz020411.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (274)
2831

>  <Formula> (274)
C23H28N8O

>  <MolWeight> (274)
432.52142

>  <Cat> (274)
S7992

>  <Name> (274)
LDC4297 (LDC044297)

>  <Synonyms> (274)
N/A

>  <Target> (274)
CDK

>  <Form> (274)
free base

>  <CAS> (274)
1453834-21-3

>  <URL> (274)
http://selleckchem.com/products/ldc4297-ldc044297.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (275)
2835

>  <Formula> (275)
C26H31ClN6O2

>  <MolWeight> (275)
495.01634

>  <Cat> (275)
S7824

>  <Name> (275)
Nazartinib (EGF816)

>  <Synonyms> (275)
NVS-816

>  <Target> (275)
EGFR

>  <Form> (275)
free base

>  <CAS> (275)
1508250-71-2

>  <URL> (275)
http://selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
A-196.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (276)
2839

>  <Formula> (276)
C18H16Cl2N4

>  <MolWeight> (276)
359.25244

>  <Cat> (276)
S7983

>  <Name> (276)
A-196

>  <Synonyms> (276)
N/A

>  <Target> (276)
Histone Methyltransferase,SETD

>  <Form> (276)
free base

>  <CAS> (276)
1982372-88-2

>  <URL> (276)
http://selleckchem.com/products/a-196.html

$$$$
UNC0642.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (277)
2891

>  <Formula> (277)
C29H44F2N6O2

>  <MolWeight> (277)
546.6954664

>  <Cat> (277)
S7230

>  <Name> (277)
UNC0642

>  <Synonyms> (277)
N/A

>  <Target> (277)
G9a/GLP,Histone Methyltransferase

>  <Form> (277)
free base

>  <CAS> (277)
1481677-78-4

>  <URL> (277)
http://selleckchem.com/products/unc0642.html

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/06012611192D

 36 37  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 13  2  0  0  0  0
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  9 14  1  0  0  0  0
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 21 25  1  6  0  0  0
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 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (278)
2927

>  <Formula> (278)
C23H38N6O6S

>  <MolWeight> (278)
526.64942

>  <Cat> (278)
S5074

>  <Name> (278)
Argatroban Monohydrate

>  <Synonyms> (278)
Argatroban hydrate, Argipidine,MCI-9038 Monohydrate

>  <Target> (278)
Thrombin

>  <Form> (278)
Thrombin inhibitors

>  <CAS> (278)
141396-28-3

>  <URL> (278)
http://selleckchem.com/products/argatroban-monohydrate.html

$$$$
S5079 Sitagliptin.cdx
csChFnd80/06012611192D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.4915    2.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1394    3.0969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1394    4.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3137    3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5345    4.9120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9367    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7253    4.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5129    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3005    4.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9178    2.3917    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
  4  1  2  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
 12  2  1  0  0  0  0
  9  3  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  1  0  0  0  0
 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
  7 18  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  1  0  0  0  0
 11 19  1  0  0  0  0
 14 11  2  0  0  0  0
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 15 16  1  0  0  0  0
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 27 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  1  0  0  0
M  END
>  <Mol_ID> (279)
2930

>  <Formula> (279)
C16H15F6N5O

>  <MolWeight> (279)
407.3136192

>  <Cat> (279)
S5079

>  <Name> (279)
Sitagliptin

>  <Synonyms> (279)
MK-0431

>  <Target> (279)
DPP

>  <Form> (279)
free base

>  <CAS> (279)
486460-32-6

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

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/06012611192D

 33 34  0  0  0  0  0  0  0  0999 V2000
   10.8839    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8869    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4684    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6761    1.4187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4653    3.5014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6761    4.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6201    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    3.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5202    1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1566    3.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7321    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3691    4.1940    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9412    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1574    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7323    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9494    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  1  1  0  0  0  0
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 16  2  1  0  0  0  0
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 11  3  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
 21  5  1  0  0  0  0
 18  6  2  0  0  0  0
  7 10  1  0  0  0  0
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  9  7  1  0  0  0  0
 12  8  1  0  0  0  0
 15  9  1  0  0  0  0
 10 14  1  0  0  0  0
 19 10  2  0  0  0  0
 14 11  1  0  0  0  0
 30 11  1  0  0  0  0
 31 11  1  0  0  0  0
 15 12  2  0  0  0  0
 17 13  1  0  0  0  0
 20 13  2  0  0  0  0
 32 15  1  0  0  0  0
 22 17  1  0  0  0  0
 24 22  1  0  0  0  0
 23 26  1  0  0  0  0
 25 23  1  0  0  0  0
 23 27  2  0  0  0  0
 28 24  1  0  0  0  0
 29 24  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (280)
2963

>  <Formula> (280)
C20H20FKN6O5

>  <MolWeight> (280)
482.5067032

>  <Cat> (280)
S5245

>  <Name> (280)
Raltegravir potassium

>  <Synonyms> (280)
MK-0518 potassium

>  <Target> (280)
Integrase

>  <Form> (280)
potassium salt

>  <CAS> (280)
871038-72-1

>  <URL> (280)
http://selleckchem.com/products/raltegravir-potassium.html

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/06012611192D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (281)
2994

>  <Formula> (281)
C26H27N3O5S

>  <MolWeight> (281)
493.57468

>  <Cat> (281)
S5402

>  <Name> (281)
Dasabuvir (ABT-333)

>  <Synonyms> (281)
N/A

>  <Target> (281)
HCV Protease

>  <Form> (281)
free base

>  <CAS> (281)
1132935-63-7

>  <URL> (281)
http://selleckchem.com/products/dasabuvir-abt-333.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (282)
3070

>  <Formula> (282)
C24H24F3N5O5S3

>  <MolWeight> (282)
615.6680696

>  <Cat> (282)
S5069

>  <Name> (282)
Dabrafenib Mesylate

>  <Synonyms> (282)
GSK2118436 Mesylate

>  <Target> (282)
Raf

>  <Form> (282)
mesylate

>  <CAS> (282)
1195768-06-9

>  <URL> (282)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (283)
3180

>  <Formula> (283)
C24H35ClO9

>  <MolWeight> (283)
502.9823

>  <Cat> (283)
S5566

>  <Name> (283)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (283)
N/A

>  <Target> (283)
SGLT

>  <Form> (283)
monohydrate

>  <CAS> (283)
960404-48-2

>  <URL> (283)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (284)
3231

>  <Formula> (284)
C22H25ClO7

>  <MolWeight> (284)
436.8827

>  <Cat> (284)
S5413

>  <Name> (284)
Ertugliflozin

>  <Synonyms> (284)
MK-8835, PF-04971729

>  <Target> (284)
SGLT

>  <Form> (284)
free base

>  <CAS> (284)
1210344-57-2

>  <URL> (284)
https://www.selleckchem.com/products/ertugliflozin.html

$$$$
S5540 Landiolol hydrochloride.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (285)
3244

>  <Formula> (285)
C25H40ClN3O8

>  <MolWeight> (285)
546.0534

>  <Cat> (285)
S5540

>  <Name> (285)
Landiolol hydrochloride

>  <Synonyms> (285)
ONO-1101 hydrochloride

>  <Target> (285)
Adrenergic Receptor

>  <Form> (285)
hydrochloride

>  <CAS> (285)
144481-98-1

>  <URL> (285)
https://www.selleckchem.com/products/landiolol-hydrochloride.html

$$$$
S5623 Bedaquiline.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (286)
3251

>  <Formula> (286)
C32H31BrN2O2

>  <MolWeight> (286)
555.50474

>  <Cat> (286)
S5623

>  <Name> (286)
Bedaquiline

>  <Synonyms> (286)
TMC-207, R207910

>  <Target> (286)
ATPase

>  <Form> (286)
free base

>  <CAS> (286)
843663-66-1

>  <URL> (286)
https://www.selleckchem.com/products/bedaquiline.html

$$$$

csChFnd80/06012611192D

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>  <Mol_ID> (287)
3265

>  <Formula> (287)
C9H12N2O4S

>  <MolWeight> (287)
244.26758

>  <Cat> (287)
S5837

>  <Name> (287)
BRL-50481

>  <Synonyms> (287)
N/A

>  <Target> (287)
PDE

>  <Form> (287)
Free Base

>  <CAS> (287)
433695-36-4

>  <URL> (287)
http://www.selleckchem.com/products/brl-50481.html

$$$$

csChFnd80/06012611192D

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>  <Mol_ID> (288)
3287

>  <Formula> (288)
C16H15N3O3

>  <MolWeight> (288)
297.3086

>  <Cat> (288)
S5903

>  <Name> (288)
JANEX-1

>  <Synonyms> (288)
WHI-P131

>  <Target> (288)
JAK

>  <Form> (288)
Free Base

>  <CAS> (288)
202475-60-3

>  <URL> (288)
http://www.selleckchem.com/products/janex-1.html

$$$$

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>  <Mol_ID> (289)
3297

>  <Formula> (289)
C22H26N4O3

>  <MolWeight> (289)
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>  <Cat> (289)
S5916

>  <Name> (289)
GSK 5959

>  <Synonyms> (289)
N/A

>  <Target> (289)
Epigenetic Reader Domain

>  <Form> (289)
Free Base

>  <CAS> (289)
901245-65-6

>  <URL> (289)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

csChFnd80/06012611192D

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>  <Mol_ID> (290)
3305

>  <Formula> (290)
C17H27Cl2NO

>  <MolWeight> (290)
332.30838

>  <Cat> (290)
S5926

>  <Name> (290)
Pitolisant hydrochloride

>  <Synonyms> (290)
Tiprolisant hydrochloride, BF-2649 HCl

>  <Target> (290)
Histamine Receptor

>  <Form> (290)
hydrochloride

>  <CAS> (290)
903576-44-3

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

$$$$

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>  <Mol_ID> (291)
3311

>  <Formula> (291)
C13H15N3O2S

>  <MolWeight> (291)
277.3421

>  <Cat> (291)
S5933

>  <Name> (291)
K 858

>  <Synonyms> (291)
N/A

>  <Target> (291)
Kinesin

>  <Form> (291)
Free Base

>  <CAS> (291)
72926-24-0

>  <URL> (291)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/06012611192D

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>  <Mol_ID> (292)
3312

>  <Formula> (292)
C25H32N2O4

>  <MolWeight> (292)
424.53258

>  <Cat> (292)
S5935

>  <Name> (292)
Alvimopan

>  <Synonyms> (292)
LY 246736, ADL 8-2698

>  <Target> (292)
Opioid Receptor

>  <Form> (292)
Free Base

>  <CAS> (292)
156053-89-3

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

$$$$
S5701 Alvimopan dihydrate.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (293)
3340

>  <Formula> (293)
C25H36N2O6

>  <MolWeight> (293)
460.56314

>  <Cat> (293)
S5701

>  <Name> (293)
Alvimopan dihydrate (LY246736 dihydrate)

>  <Target> (293)
Opioid Receptor

>  <Form> (293)
free base

>  <CAS> (293)
170098-38-1

>  <URL> (293)
https://www.selleckchem.com/products/alvimopan-dihydrate.html

$$$$
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csChFnd80/06012611192D

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 33 35  2  0  0  0  0
M  END
>  <Mol_ID> (294)
3425

>  <Formula> (294)
C25H26F6N2O2

>  <MolWeight> (294)
500.4765592

>  <Cat> (294)
S5476

>  <Name> (294)
Rolapitant

>  <Synonyms> (294)
SCH-619734

>  <Target> (294)
Neurokinin Receptor

>  <Form> (294)
NK1 receptor antagonists

>  <CAS> (294)
552292-08-7

>  <URL> (294)
https://www.selleckchem.com/products/rolapitant.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (295)
3428

>  <Formula> (295)
C21H19N3O5

>  <MolWeight> (295)
393.39266

>  <Cat> (295)
S5667

>  <Name> (295)
Fruquintinib (HMPL-013)

>  <Target> (295)
VEGFR

>  <Form> (295)
Tyrosine kinase inhibitor

>  <CAS> (295)
1194506-26-7

>  <URL> (295)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/06012611192D

 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (296)
3459

>  <Formula> (296)
C29H37N7O5S

>  <MolWeight> (296)
595.71298

>  <Cat> (296)
S5078

>  <Name> (296)
Osimertinib mesylate

>  <Synonyms> (296)
AZD9291 mesylate

>  <Target> (296)
EGFR

>  <Form> (296)
mesylate

>  <CAS> (296)
1421373-66-1

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

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (297)
3489

>  <Formula> (297)
C16H16N4O2S2

>  <MolWeight> (297)
360.45384

>  <Cat> (297)
S5696

>  <Name> (297)
JNJ0966

>  <Synonyms> (297)
N/A

>  <Target> (297)
MMP

>  <Form> (297)
Free Base

>  <CAS> (297)
315705-75-0

>  <URL> (297)
http://www.selleckchem.com/products/jnj0966.html

$$$$

csChFnd80/06012611192D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
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3549

>  <Formula> (298)
C12H13N

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171.23832

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S5795

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TVP-1012

>  <Target> (298)
MAO

>  <Form> (298)
Free Base

>  <CAS> (298)
136236-51-6

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

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (299)
3565

>  <Formula> (299)
C21H16FN7O

>  <MolWeight> (299)
401.3964432

>  <Cat> (299)
S5818

>  <Name> (299)
acalisib (GS-9820)

>  <Synonyms> (299)
CAL-120

>  <Target> (299)
PI3K

>  <Form> (299)
Free Base

>  <CAS> (299)
870281-34-8

>  <URL> (299)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/06012611192D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (300)
3566

>  <Formula> (300)
C25H29N3O3

>  <MolWeight> (300)
419.51606

>  <Cat> (300)
S5819

>  <Name> (300)
MRE-269 (ACT-333679)

>  <Synonyms> (300)
N/A

>  <Target> (300)
Prostaglandin Receptor

>  <Form> (300)
Free Base

>  <CAS> (300)
475085-57-5

>  <URL> (300)
http://www.selleckchem.com/products/mre-269-act-333679.html

$$$$

csChFnd80/06012611192D

 38 43  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (301)
3807

>  <Formula> (301)
C25H23FN8O2S2

>  <MolWeight> (301)
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>  <Cat> (301)
S7564

>  <Name> (301)
SAR125844

>  <Synonyms> (301)
N/A

>  <Target> (301)
c-Met

>  <Form> (301)
free base

>  <CAS> (301)
1116743-46-4

>  <URL> (301)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/06012611192D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (302)
3862

>  <Formula> (302)
C34H36FN5O2

>  <MolWeight> (302)
565.6803432

>  <Cat> (302)
S6416

>  <Name> (302)
JNJ 31020028

>  <Synonyms> (302)
N/A

>  <Target> (302)
NPY receptor

>  <Form> (302)
Free Base

>  <CAS> (302)
1094873-14-9

>  <URL> (302)
https://www.selleckchem.com/products/jnj-31020028.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (303)
3960

>  <Formula> (303)
C29H24F3N5O

>  <MolWeight> (303)
515.5289696

>  <Cat> (303)
S6538

>  <Name> (303)
B-Raf IN 1

>  <Synonyms> (303)
N/A

>  <Target> (303)
Raf

>  <Form> (303)
free base

>  <CAS> (303)
950736-05-7

>  <URL> (303)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (304)
3964

>  <Formula> (304)
C28H28F3N5O4

>  <MolWeight> (304)
555.5482296

>  <Cat> (304)
S6545

>  <Name> (304)
BI-4464

>  <Synonyms> (304)
N/A

>  <Target> (304)
FAK,Target Protein Ligand

>  <Form> (304)
free base

>  <CAS> (304)
1227948-02-8

>  <URL> (304)
http://www.selleck.cn/products/bi-4464.html

$$$$
P505-15.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (305)
3998

>  <Formula> (305)
C19H24ClN9O

>  <MolWeight> (305)
429.90656

>  <Cat> (305)
S8032

>  <Name> (305)
PRT062607 (P505-15) HCl

>  <Synonyms> (305)
BIIB057, PRT-2607

>  <Target> (305)
FAK,FLT3,Mixed Lineage Kinase,PAK,Pyk2,Src,Syk

>  <Form> (305)
Hydrochloride

>  <CAS> (305)
1370261-97-4

>  <URL> (305)
http://selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (306)
4001

>  <Formula> (306)
C11H6F3NO2S

>  <MolWeight> (306)
273.2310496

>  <Cat> (306)
S8005

>  <Name> (306)
SMI-4a

>  <Synonyms> (306)
TCS PIM-1 4a

>  <Target> (306)
Pim

>  <Form> (306)
free base

>  <CAS> (306)
438190-29-5

>  <URL> (306)
http://selleckchem.com/products/smi-4a.html

$$$$
GW 9508.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (307)
4005

>  <Formula> (307)
C22H21NO3

>  <MolWeight> (307)
347.40704

>  <Cat> (307)
S8014

>  <Name> (307)
GW9508

>  <Synonyms> (307)
N/A

>  <Target> (307)
GPR

>  <Form> (307)
free base

>  <CAS> (307)
885101-89-3

>  <URL> (307)
http://selleckchem.com/products/gw9508.html

$$$$
GW 0742.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (308)
4007

>  <Formula> (308)
C21H17F4NO3S2

>  <MolWeight> (308)
471.4881928

>  <Cat> (308)
S8020

>  <Name> (308)
GW0742

>  <Synonyms> (308)
N/A

>  <Target> (308)
PPAR

>  <Form> (308)
free base

>  <CAS> (308)
317318-84-6

>  <URL> (308)
http://selleckchem.com/products/gw0742.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/06012611192D

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>  <Mol_ID> (309)
4011

>  <Formula> (309)
C18H20N2O4S

>  <MolWeight> (309)
360.4274

>  <Cat> (309)
S8023

>  <Name> (309)
TCS 359

>  <Synonyms> (309)
N/A

>  <Target> (309)
FLT3

>  <Form> (309)
free base

>  <CAS> (309)
301305-73-7

>  <URL> (309)
http://selleckchem.com/products/tcs-359.html

$$$$
NSC23766.cdx
csChFnd80/06012611192D

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4012

>  <Formula> (310)
C24H38Cl3N7

>  <MolWeight> (310)
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S8031

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NSC 23766

>  <Synonyms> (310)
N/A

>  <Target> (310)
Rho

>  <Form> (310)
HCl

>  <CAS> (310)
1177865-17-6

>  <URL> (310)
http://selleckchem.com/products/nsc-23766.html

$$$$
ABT-199.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (311)
4015

>  <Formula> (311)
C45H50ClN7O7S

>  <MolWeight> (311)
868.4392

>  <Cat> (311)
S8048

>  <Name> (311)
Venetoclax (ABT-199)

>  <Synonyms> (311)
GDC-0199

>  <Target> (311)
Autophagy,Bcl-2

>  <Form> (311)
free base

>  <CAS> (311)
1257044-40-8

>  <URL> (311)
http://selleckchem.com/products/abt-199.html

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/06012611192D

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>  <Mol_ID> (312)
4016

>  <Formula> (312)
C23H27ClO7

>  <MolWeight> (312)
450.90928

>  <Cat> (312)
S8022

>  <Name> (312)
Empagliflozin (BI 10773)

>  <Synonyms> (312)
N/A

>  <Target> (312)
SGLT

>  <Form> (312)
free base

>  <CAS> (312)
864070-44-0

>  <URL> (312)
http://selleckchem.com/products/empagliflozin-bi10773.html

$$$$
GW2580.cdx
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4019

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CSF-1R

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free base

>  <CAS> (313)
870483-87-7

>  <URL> (313)
http://selleckchem.com/products/gw2580.html

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4022

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C15H12ClF3N2O3S

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392.7805896

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GSK3787

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N/A

>  <Target> (314)
PPAR

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free base

>  <CAS> (314)
188591-46-0

>  <URL> (314)
http://selleckchem.com/products/gsk3787.html

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>  <Mol_ID> (315)
4023

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C24H32N6O3

>  <MolWeight> (315)
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S8040

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GDC-0349

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RG-7603

>  <Target> (315)
mTOR

>  <Form> (315)
free base

>  <CAS> (315)
1207360-89-1

>  <URL> (315)
http://selleckchem.com/products/gdc-0349.html

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>  <Mol_ID> (316)
4047

>  <Formula> (316)
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>  <MolWeight> (316)
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>  <Cat> (316)
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>  <Name> (316)
Elimusertib (BAY-1895344) hydrochloride

>  <Synonyms> (316)
BAY-1895344 HCl

>  <Target> (316)
ATM/ATR

>  <Form> (316)
hydrochloride

>  <CAS> (316)
1876467-74-1(free base)

>  <URL> (316)
https://www.selleckchem.com/products/bay-1895344-hcl.html

$$$$
WT161.cdx
csChFnd80/06012611192D

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C27H30N4O3

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WT161

>  <Synonyms> (317)
N/A

>  <Target> (317)
Apoptosis related,HDAC

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free base

>  <CAS> (317)
1206731-57-8

>  <URL> (317)
http://selleckchem.com/products/wt161.html

$$$$
dynasore .cdx
csChFnd80/06012611192D

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C18H14N2O4

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Dynasore

>  <Synonyms> (318)
N/A

>  <Target> (318)
Autophagy,Dynamin,HSV

>  <Form> (318)
free base

>  <CAS> (318)
304448-55-3

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

$$$$
bms-345541.cdx
csChFnd80/06012611192D

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C14H17N5

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BMS-345541

>  <Synonyms> (319)
N/A

>  <Target> (319)
I¦ÊB/IKK

>  <Form> (319)
free base

>  <CAS> (319)
445430-58-0

>  <URL> (319)
http://selleckchem.com/products/bms-345541.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (320)
4069

>  <Formula> (320)
C24H30ClN7O2

>  <MolWeight> (320)
483.9937

>  <Cat> (320)
S1116

>  <Name> (320)
Palbociclib (PD-0332991) HCl

>  <Synonyms> (320)
N/A

>  <Target> (320)
CDK

>  <Form> (320)
Hydrochloride

>  <CAS> (320)
827022-32-2

>  <URL> (320)
http://selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/06012611192D

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4070

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C26H35N7O6S

>  <MolWeight> (321)
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>  <Cat> (321)
S1579

>  <Name> (321)
Palbociclib (PD0332991) Isethionate

>  <Synonyms> (321)
N/A

>  <Target> (321)
CDK

>  <Form> (321)
Isethionate

>  <CAS> (321)
827022-33-3

>  <URL> (321)
http://selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
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M  END
>  <Mol_ID> (322)
4071

>  <Formula> (322)
C21H21F3IN3O2

>  <MolWeight> (322)
531.3100196

>  <Cat> (322)
S8041

>  <Name> (322)
Cobimetinib (GDC-0973)

>  <Synonyms> (322)
RG7420,XL518

>  <Target> (322)
Apoptosis related,MEK

>  <Form> (322)
free base

>  <CAS> (322)
934660-93-2

>  <URL> (322)
http://selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/06012611192D

 32 32  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
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M  END
>  <Mol_ID> (323)
4084

>  <Formula> (323)
C21H28FN3O7

>  <MolWeight> (323)
453.4613232

>  <Cat> (323)
S8102

>  <Name> (323)
Z-VAD(OH)-FMK (Caspase Inhibitor VI)

>  <Synonyms> (323)
N/A

>  <Target> (323)
Caspase

>  <Form> (323)
free base

>  <CAS> (323)
161401-82-7

>  <URL> (323)
http://selleckchem.com/products/z-vad(oh)-fmk.html

$$$$
PF-CBP1.cdx
csChFnd80/06012611192D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    8.0074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    5.3363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4192    8.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7886    8.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2844   10.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (324)
4099

>  <Formula> (324)
C29H37ClN4O3

>  <MolWeight> (324)
525.08208

>  <Cat> (324)
S8180

>  <Name> (324)
PF-CBP1 HCl

>  <Synonyms> (324)
N/A

>  <Target> (324)
Epigenetic Reader Domain

>  <Form> (324)
Hydrochloride

>  <CAS> (324)
2070014-93-4

>  <URL> (324)
http://selleckchem.com/products/pf-cbp1.html

$$$$
Acalabrutinib.cdx
csChFnd80/06012611192D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (325)
4100

>  <Formula> (325)
C26H23N7O2

>  <MolWeight> (325)
465.50652

>  <Cat> (325)
S8116

>  <Name> (325)
Acalabrutinib (ACP-196)

>  <Synonyms> (325)
N/A

>  <Target> (325)
BTK

>  <Form> (325)
free base

>  <CAS> (325)
1420477-60-6

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

$$$$
SB366791.cdx
csChFnd80/06012611192D

 20 21  0  0  0  0  0  0  0  0999 V2000
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883065-90-5

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http://selleckchem.com/products/bi-78d3.html

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1173699-31-4

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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  3  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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  4 12  2  0  0  0  0
  2 13  2  0  0  0  0
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  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  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
  9 10  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (330)
4158

>  <Formula> (330)
C17H11KN2O6S2

>  <MolWeight> (330)
442.50734

>  <Cat> (330)
S8327

>  <Name> (330)
KYA1797K

>  <Synonyms> (330)
N/A

>  <Target> (330)
Wnt/beta-catenin

>  <Form> (330)
potassium salt

>  <CAS> (330)
1956356-56-1

>  <URL> (330)
http://selleckchem.com/products/kya1797k.html

$$$$
CPI-637.cdx
csChFnd80/06012611192D

 29 33  0  0  0  0  0  0  0  0999 V2000
    3.0956    6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    4.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    7.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    7.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412    6.0608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    8.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    4.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    3.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453    2.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1578    3.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1578    4.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4610    5.1723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8736    6.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0850    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6889    7.7715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7367    6.7452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1774    9.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2580    6.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  4 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  6  0  0  0
 19 24  2  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 10  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (331)
4171

>  <Formula> (331)
C22H22N6O

>  <MolWeight> (331)
386.44968

>  <Cat> (331)
S8190

>  <Name> (331)
CPI-637

>  <Synonyms> (331)
N/A

>  <Target> (331)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (331)
free base

>  <CAS> (331)
1884712-47-3

>  <URL> (331)
http://selleckchem.com/products/cpi-637.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/06012611192D

 36 41  0  0  0  0  0  0  0  0999 V2000
    6.0329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1573    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1573    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2359    2.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6283    2.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1977    3.9632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    0.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024    0.6391    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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 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 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 22 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
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (332)
4189

>  <Formula> (332)
C26H24N8O2

>  <MolWeight> (332)
480.52116

>  <Cat> (332)
S8362

>  <Name> (332)
Tucatinib

>  <Synonyms> (332)
Irbinitinib, ONT-380, ARRY-380

>  <Target> (332)
EGFR,HER2

>  <Form> (332)
free base

>  <CAS> (332)
937263-43-9

>  <URL> (332)
http://selleckchem.com/products/arry-380-ont-380.html

$$$$
Etomoxir (Na salt).cdx
csChFnd80/06012611192D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1725    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.0725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2367    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7155    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8580    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792    2.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0004    3.9467    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   13.7579    3.4605    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  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
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 15 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (333)
4196

>  <Formula> (333)
C15H18ClNaO4

>  <MolWeight> (333)
320.74379

>  <Cat> (333)
S8244

>  <Name> (333)
Etomoxir sodium salt

>  <Synonyms> (333)
(R)-(+)-Etomoxir sodium salt

>  <Target> (333)
Apoptosis related,CPT,Transferase

>  <Form> (333)
sodium salt

>  <CAS> (333)
828934-41-4

>  <URL> (333)
http://selleckchem.com/products/etomoxir-na-salt.html

$$$$
1400W.cdx
csChFnd80/06012611192D

 15 13  0  0  0  0  0  0  0  0999 V2000
   16.2505    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2505    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6753    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6753    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4629    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8878    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1002    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0380    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8256    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6132    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4007    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6132    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   20.5611    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.5611    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  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
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (334)
4215

>  <Formula> (334)
C10H17Cl2N3

>  <MolWeight> (334)
250.16808

>  <Cat> (334)
S8337

>  <Name> (334)
1400W 2HCl

>  <Synonyms> (334)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (334)
NOS

>  <Form> (334)
dihydrochloride

>  <CAS> (334)
214358-33-5

>  <URL> (334)
http://selleckchem.com/products/1400w.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/06012611192D

 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
    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 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (335)
4217

>  <Formula> (335)
C21H25N7O

>  <MolWeight> (335)
391.4695

>  <Cat> (335)
S8456

>  <Name> (335)
VPS34 inhibitor 1 (Compound 19)

>  <Synonyms> (335)
PIK-III analogue

>  <Target> (335)
PI3K

>  <Form> (335)
free base

>  <CAS> (335)
1383716-46-8

>  <URL> (335)
http://selleckchem.com/products/vps34-inhibitor-1.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/06012611192D

 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
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    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
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M  END
>  <Mol_ID> (336)
4223

>  <Formula> (336)
C14H17Cl2N5O4S

>  <MolWeight> (336)
422.28688

>  <Cat> (336)
S8457

>  <Name> (336)
UK-371804 HCl

>  <Synonyms> (336)
UK-371804 HCl

>  <Target> (336)
Serine Protease

>  <Form> (336)
hydrochloride

>  <CAS> (336)
256476-36-5

>  <URL> (336)
http://selleckchem.com/products/uk-371804-hcl.html

$$$$
Thiomyristoyl.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (337)
4227

>  <Formula> (337)
C34H51N3O3S

>  <MolWeight> (337)
581.85204

>  <Cat> (337)
S8245

>  <Name> (337)
Thiomyristoyl

>  <Synonyms> (337)
TM

>  <Target> (337)
Sirtuin

>  <Form> (337)
free base

>  <CAS> (337)
1429749-41-6

>  <URL> (337)
http://selleckchem.com/products/thiomyristoyl.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (338)
4228

>  <Formula> (338)
C30H42N8O3

>  <MolWeight> (338)
562.70628

>  <Cat> (338)
S8412

>  <Name> (338)
Naquotinib(ASP8273)

>  <Synonyms> (338)
N/A

>  <Target> (338)
EGFR

>  <Form> (338)
free base

>  <CAS> (338)
1448232-80-1

>  <URL> (338)
http://selleckchem.com/products/naquotinib-asp8273.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (339)
4230

>  <Formula> (339)
C25H23ClN6O3

>  <MolWeight> (339)
490.94152

>  <Cat> (339)
S8166

>  <Name> (339)
tirabrutinib(ONO-4059) hydrochloride

>  <Synonyms> (339)
GS-4059

>  <Target> (339)
BTK

>  <Form> (339)
hydrochloride

>  <CAS> (339)
1439901-97-9

>  <URL> (339)
http://selleckchem.com/products/ono-4059-gs-4059.html

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (340)
4233

>  <Formula> (340)
C22H19F2N3O4S

>  <MolWeight> (340)
459.4657664

>  <Cat> (340)
S8400

>  <Name> (340)
Mivebresib (ABBV-075)

>  <Synonyms> (340)
N/A

>  <Target> (340)
Apoptosis related,Epigenetic Reader Domain

>  <Form> (340)
free base

>  <CAS> (340)
1445993-26-9

>  <URL> (340)
http://selleckchem.com/products/mivebresib-abbv-075.html

$$$$
PD-166866.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (341)
4243

>  <Formula> (341)
C20H24N6O3

>  <MolWeight> (341)
396.44296

>  <Cat> (341)
S8493

>  <Name> (341)
PD-166866 (PD166866)

>  <Synonyms> (341)
N/A

>  <Target> (341)
FGFR

>  <Form> (341)
free base

>  <CAS> (341)
192705-79-6

>  <URL> (341)
http://selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/06012611192D

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Fisogatinib (BLU-554)

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N/A

>  <Target> (342)
FGFR

>  <Form> (342)
free base

>  <CAS> (342)
1707289-21-1

>  <URL> (342)
http://selleckchem.com/products/blu-554.html

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csChFnd80/06012611192D

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NMS-P118

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PARP

>  <Form> (343)
free base

>  <CAS> (343)
1262417-51-5

>  <URL> (343)
http://selleckchem.com/products/nms-p118.html

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GSK6853.cdx
csChFnd80/06012611192D

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4249

>  <Formula> (344)
C22H27N5O3

>  <MolWeight> (344)
409.48148

>  <Cat> (344)
S8265

>  <Name> (344)
GSK6853

>  <Synonyms> (344)
N/A

>  <Target> (344)
Epigenetic Reader Domain

>  <Form> (344)
free base

>  <CAS> (344)
1910124-24-1

>  <URL> (344)
http://selleckchem.com/products/gsk6853.html

$$$$
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csChFnd80/06012611192D

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>  <Mol_ID> (345)
4250

>  <Formula> (345)
C19H16FN5O2

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>  <Cat> (345)
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>  <Name> (345)
GSK180736A (GSK180736)

>  <Synonyms> (345)
N/A

>  <Target> (345)
GRK

>  <Form> (345)
free base

>  <CAS> (345)
817194-38-0

>  <URL> (345)
http://selleckchem.com/products/gsk180736a.html

$$$$
Cl-amidine.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (346)
4256

>  <Formula> (346)
C16H20ClF3N4O4

>  <MolWeight> (346)
424.8026096

>  <Cat> (346)
S8141

>  <Name> (346)
Cl-amidine

>  <Synonyms> (346)
N/A

>  <Target> (346)
Apoptosis related,Immunology & Inflammation related,PAD

>  <Form> (346)
trifluoroacetate

>  <CAS> (346)
1043444-18-3

>  <URL> (346)
http://selleckchem.com/products/cl-amidine.html

$$$$
ARS-853.cdx
csChFnd80/06012611192D

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   14.6891    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30  9  1  0  0  0  0
M  END
>  <Mol_ID> (347)
4262

>  <Formula> (347)
C22H29ClN4O3

>  <MolWeight> (347)
432.94366

>  <Cat> (347)
S8156

>  <Name> (347)
ARS-853 (ARS853)

>  <Synonyms> (347)
N/A

>  <Target> (347)
Apoptosis related,Ras

>  <Form> (347)
free base

>  <CAS> (347)
1629268-00-3

>  <URL> (347)
http://selleckchem.com/products/ars-853.html

$$$$
SGC2085.cdx
csChFnd80/06012611192D

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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
  6 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  1  0  0  0
M  END
>  <Mol_ID> (348)
4267

>  <Formula> (348)
C19H24N2O2

>  <MolWeight> (348)
312.40606

>  <Cat> (348)
S8340

>  <Name> (348)
SGC2085

>  <Synonyms> (348)
N/A

>  <Target> (348)
Histone Methyltransferase,PRMT

>  <Form> (348)
free base

>  <CAS> (348)
1821908-48-8

>  <URL> (348)
http://selleckchem.com/products/sgc2085.html

$$$$
Omarigliptin (MK-3102).cdx
csChFnd80/06012611192D

 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
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9  4  1  6  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  9  1  0  0  0  0
 14 15  1  1  0  0  0
 12 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 16  1  0  0  0  0
 18 21  2  0  0  0  0
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M  END
>  <Mol_ID> (349)
4270

>  <Formula> (349)
C17H20F2N4O3S

>  <MolWeight> (349)
398.4275064

>  <Cat> (349)
S8565

>  <Name> (349)
Omarigliptin (MK-3102)

>  <Synonyms> (349)
N/A

>  <Target> (349)
DPP

>  <Form> (349)
free base

>  <CAS> (349)
1226781-44-7

>  <URL> (349)
http://selleckchem.com/products/omarigliptin-mk-3102.html

$$$$
INF39.cdx
csChFnd80/06012611192D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (350)
4272

>  <Formula> (350)
C12H13ClO2

>  <MolWeight> (350)
224.68342

>  <Cat> (350)
S8559

>  <Name> (350)
INF39

>  <Synonyms> (350)
N/A

>  <Target> (350)
NLRP3

>  <Form> (350)
free base

>  <CAS> (350)
866028-26-4

>  <URL> (350)
http://selleckchem.com/products/inf39.html

$$$$
IPI-549.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (351)
4283

>  <Formula> (351)
C30H24N8O2

>  <MolWeight> (351)
528.56396

>  <Cat> (351)
S8330

>  <Name> (351)
Eganelisib (IPI-549)

>  <Synonyms> (351)
N/A

>  <Target> (351)
PI3K

>  <Form> (351)
free base

>  <CAS> (351)
1693758-51-8

>  <URL> (351)
http://selleckchem.com/products/ipi-549.html

$$$$
8-OH-DPAT (8-Hydroxy-DPAT).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (352)
4284

>  <Formula> (352)
C16H25NO

>  <MolWeight> (352)
247.3758

>  <Cat> (352)
S8447

>  <Name> (352)
8-OH-DPAT (8-Hydroxy-DPAT)

>  <Synonyms> (352)
N/A

>  <Target> (352)
5-HT Receptor

>  <Form> (352)
free base

>  <CAS> (352)
78950-78-4

>  <URL> (352)
http://selleckchem.com/products/8-oh-dpat-8-hydroxy-dpat.html

$$$$
FX1.cdx
csChFnd80/06012611192D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (353)
4289

>  <Formula> (353)
C14H9ClN2O4S2

>  <MolWeight> (353)
368.81526

>  <Cat> (353)
S8591

>  <Name> (353)
FX1

>  <Synonyms> (353)
N/A

>  <Target> (353)
Apoptosis related,Bcl-6

>  <Form> (353)
free base

>  <CAS> (353)
1426138-42-2

>  <URL> (353)
http://selleckchem.com/products/fx1.html

$$$$
Tofogliflozin(CSG 452).cdx
csChFnd80/06012611192D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (354)
4290

>  <Formula> (354)
C22H28O7

>  <MolWeight> (354)
404.45352

>  <Cat> (354)
S8558

>  <Name> (354)
Tofogliflozin(CSG 452)

>  <Synonyms> (354)
N/A

>  <Target> (354)
SGLT

>  <Form> (354)
hydrate

>  <CAS> (354)
1201913-82-7

>  <URL> (354)
http://selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/06012611192D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (355)
4291

>  <Formula> (355)
C19H17N3O2S2

>  <MolWeight> (355)
383.48718

>  <Cat> (355)
S8465

>  <Name> (355)
GSK'872 (GSK2399872A)

>  <Synonyms> (355)
N/A

>  <Target> (355)
RIP kinase

>  <Form> (355)
free base

>  <CAS> (355)
1346546-69-7

>  <URL> (355)
http://selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/06012611192D

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PI3K

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1268454-23-4

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http://selleckchem.com/products/tak-117-ink-1117-mln-1117.html

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CSF-1R,FGFR

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free base

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1802929-43-6

>  <URL> (357)
http://selleckchem.com/products/prn1371.html

$$$$
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Dehydrogenase

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free base

>  <CAS> (358)
1916571-90-8

>  <URL> (358)
http://selleckchem.com/products/nct-503.html

$$$$
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>  <Target> (359)
SGLT

>  <Form> (359)
free base

>  <CAS> (359)
761423-87-4

>  <URL> (359)
http://selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/06012611192D

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S8632

>  <Name> (360)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (360)
N/A

>  <Target> (360)
Apoptosis related,Chk

>  <Form> (360)
free base

>  <CAS> (360)
516480-79-8

>  <URL> (360)
http://selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (361)
4312

>  <Formula> (361)
C22H27N7O2S

>  <MolWeight> (361)
453.56048

>  <Cat> (361)
S8534

>  <Name> (361)
Temuterkib (LY3214996)

>  <Synonyms> (361)
N/A

>  <Target> (361)
ERK

>  <Form> (361)
free base

>  <CAS> (361)
1951483-29-6

>  <URL> (361)
http://selleckchem.com/products/ly3214996.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (362)
4320

>  <Formula> (362)
C12H8ClI

>  <MolWeight> (362)
314.54939

>  <Cat> (362)
S8639

>  <Name> (362)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (362)
N/A

>  <Target> (362)
NADPH-oxidase,NOS,ROS,TRP Channel

>  <Form> (362)
chloride

>  <CAS> (362)
4673-26-1

>  <URL> (362)
http://selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
GNF-6231.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (363)
4322

>  <Formula> (363)
C24H25FN6O2

>  <MolWeight> (363)
448.4927032

>  <Cat> (363)
S8644

>  <Name> (363)
GNF-6231

>  <Synonyms> (363)
N/A

>  <Target> (363)
PORCN

>  <Form> (363)
free base

>  <CAS> (363)
1243245-18-2

>  <URL> (363)
http://selleckchem.com/products/gnf-6231.html

$$$$
ACY-738.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (364)
4323

>  <Formula> (364)
C14H14N4O2

>  <MolWeight> (364)
270.28656

>  <Cat> (364)
S8648

>  <Name> (364)
ACY-738

>  <Synonyms> (364)
N/A

>  <Target> (364)
HDAC

>  <Form> (364)
free base

>  <CAS> (364)
1375465-91-0

>  <URL> (364)
http://selleckchem.com/products/acy-738.html

$$$$
PF-06840003.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (365)
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>  <Formula> (365)
C12H9FN2O2

>  <MolWeight> (365)
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>  <Cat> (365)
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>  <Name> (365)
PF-06840003

>  <Synonyms> (365)
EOS200271

>  <Target> (365)
IDO/TDO

>  <Form> (365)
free base

>  <CAS> (365)
198474-05-4

>  <URL> (365)
http://selleckchem.com/products/pf-06840003.html

$$$$
H3B-6527.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (366)
4334

>  <Formula> (366)
C29H34Cl2N8O4

>  <MolWeight> (366)
629.53746

>  <Cat> (366)
S8675

>  <Name> (366)
H3B-6527

>  <Synonyms> (366)
N/A

>  <Target> (366)
FGFR

>  <Form> (366)
free base

>  <CAS> (366)
1702259-66-2

>  <URL> (366)
http://selleckchem.com/products/h3b-6527.html

$$$$
LLY-283.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (367)
4339

>  <Formula> (367)
C17H18N4O4

>  <MolWeight> (367)
342.34922

>  <Cat> (367)
S8479

>  <Name> (367)
LLY-284

>  <Synonyms> (367)
N/A

>  <Target> (367)
PRMT

>  <Form> (367)
free base

>  <CAS> (367)
2226515-75-7

>  <URL> (367)
https://www.selleckchem.com/products/lly-284.html

$$$$
PF-06651600.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (368)
4340

>  <Formula> (368)
C15H19N5O

>  <MolWeight> (368)
285.34426

>  <Cat> (368)
S8538

>  <Name> (368)
Ritlecitinib (PF-06651600)

>  <Synonyms> (368)
N/A

>  <Target> (368)
JAK

>  <Form> (368)
free base

>  <CAS> (368)
1792180-81-4

>  <URL> (368)
http://selleckchem.com/products/pf-06651600.html

$$$$
SHP099.cdx
csChFnd80/06012611192D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (369)
4345

>  <Formula> (369)
C16H20Cl3N5

>  <MolWeight> (369)
388.7225

>  <Cat> (369)
S8278

>  <Name> (369)
SHP099 HCl

>  <Synonyms> (369)
N/A

>  <Target> (369)
phosphatase

>  <Form> (369)
Dihydrochloride

>  <CAS> (369)
2200214-93-1

>  <URL> (369)
http://selleckchem.com/products/shp099-dihydrochloride.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (370)
4350

>  <Formula> (370)
C18H13BrN2O4S2

>  <MolWeight> (370)
465.34082

>  <Cat> (370)
S8652

>  <Name> (370)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (370)
N/A

>  <Target> (370)
E3 Ligase

>  <Form> (370)
free base/salt 

>  <CAS> (370)
432001-69-9

>  <URL> (370)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (371)
4355

>  <Formula> (371)
C23H18FN5O2

>  <MolWeight> (371)
415.4197232

>  <Cat> (371)
S8672

>  <Name> (371)
Tenalisib (RP6530)

>  <Synonyms> (371)
N/A

>  <Target> (371)
PI3K

>  <Form> (371)
free base

>  <CAS> (371)
1639417-53-0

>  <URL> (371)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
Cu-CPT22.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (372)
4361

>  <Formula> (372)
C19H22O7

>  <MolWeight> (372)
362.37378

>  <Cat> (372)
S8677

>  <Name> (372)
Cu-CPT22

>  <Synonyms> (372)
N/A

>  <Target> (372)
TLR

>  <Form> (372)
free base

>  <CAS> (372)
1416324-85-0

>  <URL> (372)
http://selleckchem.com/products/cu-cpt22.html

$$$$
AZD1390.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (373)
4362

>  <Formula> (373)
C27H32FN5O2

>  <MolWeight> (373)
477.5736832

>  <Cat> (373)
S8680

>  <Name> (373)
AZD1390

>  <Synonyms> (373)
N/A

>  <Target> (373)
ATM/ATR

>  <Form> (373)
free base

>  <CAS> (373)
2089288-03-7

>  <URL> (373)
http://selleckchem.com/products/azd1390.html

$$$$
GSK'963.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (374)
4364

>  <Formula> (374)
C14H18N2O

>  <MolWeight> (374)
230.30552

>  <Cat> (374)
S8642

>  <Name> (374)
GSK'963

>  <Synonyms> (374)
N/A

>  <Target> (374)
RIP kinase

>  <Form> (374)
free base

>  <CAS> (374)
2049868-46-2

>  <URL> (374)
http://selleckchem.com/products/gsk963.html

$$$$
BMS-986205.cdx
csChFnd80/06012611192D

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    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  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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
    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  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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  1  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    2.1000    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
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 N   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
   12.1244    2.8000    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
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    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  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
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  6  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
 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 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  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
 27 29  1  0  0  0  0
 12 30  1  6  0  0  0
 16 31  1  6  0  0  0
M  END
>  <Mol_ID> (375)
4371

>  <Formula> (375)
C24H24ClFN2O

>  <MolWeight> (375)
410.9115632

>  <Cat> (375)
S8629

>  <Name> (375)
Linrodostat (BMS-986205)

>  <Synonyms> (375)
ONO-7701

>  <Target> (375)
IDO/TDO

>  <Form> (375)
free base

>  <CAS> (375)
1923833-60-6

>  <URL> (375)
https://www.selleckchem.com/products/bms-986205.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/06012611192D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    4.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (376)
4385

>  <Formula> (376)
C8H6N2O

>  <MolWeight> (376)
146.14604

>  <Cat> (376)
S9360

>  <Name> (376)
4-Hydroxyquinazoline

>  <Synonyms> (376)
Quinazolin-4-ol, 4-Quinazolinol

>  <Target> (376)
PARP

>  <Form> (376)
free base

>  <CAS> (376)
491-36-1

>  <URL> (376)
https://www.selleckchem.com/products/4-hydroxyquinazoline-.html

$$$$

csChFnd80/06012611192D

 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
    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
   10.9119    0.0000    0.0000 N   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
   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
    6.0622    2.8000    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
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  2  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    4.2000    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
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 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  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 11 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 11  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (377)
4449

>  <Formula> (377)
C24H28N4O3

>  <MolWeight> (377)
420.50412

>  <Cat> (377)
S8556

>  <Name> (377)
AZ31

>  <Synonyms> (377)
N/A

>  <Target> (377)
ATM/ATR

>  <Form> (377)
Free Base

>  <CAS> (377)
2088113-98-6

>  <URL> (377)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/06012611192D

 22 26  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1544    0.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6197    3.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0502    4.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579    4.2728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120    2.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8349    4.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8078    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1516    0.3926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6825    1.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0812    1.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883    6.5380    0.0000 F   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  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  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  6  1  0  0  0  0
 10 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
  4 17  2  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
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (378)
4451

>  <Formula> (378)
C16H15FN4O

>  <MolWeight> (378)
298.3149032

>  <Cat> (378)
S8592

>  <Name> (378)
Pamiparib (BGB-290)

>  <Synonyms> (378)
N/A

>  <Target> (378)
PARP

>  <Form> (378)
Free Base

>  <CAS> (378)
1446261-44-4

>  <URL> (378)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/06012611192D

 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> (379)
4453

>  <Formula> (379)
C13H12ClN3O2

>  <MolWeight> (379)
277.70628

>  <Cat> (379)
S8641

>  <Name> (379)
Necrostatin 2 racemate (Nec-1s)

>  <Synonyms> (379)
7-Cl-O-Nec1, Necrostatin-1 stable, Necrostatin 1S

>  <Target> (379)
RIP kinase

>  <Form> (379)
racemate

>  <CAS> (379)
852391-15-2

>  <URL> (379)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/06012611192D

 27 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  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   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
    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 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
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    8.4870    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
   10.9119    2.1000    0.0000 C   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
   12.1244    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
    9.6995    4.2000    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 S   0  0  3  0  0  0  0  0  0  0  0  0
   13.8492    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    1.5876    0.0000 N   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
    6.0622    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
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  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
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 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
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 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
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 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> (380)
4460

>  <Formula> (380)
C18H18FN5O2S

>  <MolWeight> (380)
387.4312232

>  <Cat> (380)
S8727

>  <Name> (380)
Atuveciclib (BAY-1143572)

>  <Synonyms> (380)
N/A

>  <Target> (380)
CDK

>  <Form> (380)
Free Base

>  <CAS> (380)
1414943-88-6

>  <URL> (380)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/06012611192D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
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 30 31  1  0  0  0  0
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 35 30  1  0  0  0  0
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M  END
>  <Mol_ID> (381)
4464

>  <Formula> (381)
C26H26FN7O2

>  <MolWeight> (381)
487.5287432

>  <Cat> (381)
S8741

>  <Name> (381)
Avitinib (AC0010)

>  <Synonyms> (381)
Abivertinib

>  <Target> (381)
BTK,EGFR

>  <Form> (381)
Free Base

>  <CAS> (381)
1557267-42-1

>  <URL> (381)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/06012611192D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  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
  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
 17 18  2  0  0  0  0
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 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
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
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  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> (382)
4466

>  <Formula> (382)
C25H25F3N4O4

>  <MolWeight> (382)
502.4856096

>  <Cat> (382)
S8745

>  <Name> (382)
Naporafenib (LXH254)

>  <Synonyms> (382)
N/A

>  <Target> (382)
Raf

>  <Form> (382)
Free Base

>  <CAS> (382)
1800398-38-2

>  <URL> (382)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/06012611192D

 53 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (383)
4473

>  <Formula> (383)
C43H42N4O6

>  <MolWeight> (383)
710.81678

>  <Cat> (383)
S8759

>  <Name> (383)
S55746

>  <Synonyms> (383)
S 055746,BCL201

>  <Target> (383)
Bcl-2

>  <Form> (383)
Free Base

>  <CAS> (383)
1448584-12-0

>  <URL> (383)
http://www.selleckchem.com/products/s55746-s055746-bcl201.html

$$$$
S9500 Valbenazine tosylate.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (384)
4708

>  <Formula> (384)
C38H54N2O10S2

>  <MolWeight> (384)
762.97276

>  <Cat> (384)
S9500

>  <Name> (384)
Valbenazine tosylate

>  <Synonyms> (384)
NBI-98854

>  <Target> (384)
VMAT

>  <Form> (384)
free base

>  <CAS> (384)
1639208-54-0

>  <URL> (384)
https://www.selleckchem.com/products/valbenazine-tosylate.html

$$$$
GI254023X.cdx
csChFnd80/06012611192D

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 10  9  1  1  0  0  0
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M  END
>  <Mol_ID> (385)
4754

>  <Formula> (385)
C21H33N3O4

>  <MolWeight> (385)
391.50442

>  <Cat> (385)
S8660

>  <Name> (385)
GI254023X

>  <Synonyms> (385)
GI 4023, SRI028594

>  <Target> (385)
Immunology & Inflammation related

>  <Form> (385)
free base

>  <CAS> (385)
260264-93-5

>  <URL> (385)
http://selleckchem.com/products/gi254023x.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/06012611192D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (386)
4756

>  <Formula> (386)
C20H21N3O2

>  <MolWeight> (386)
335.39964

>  <Cat> (386)
S8049

>  <Name> (386)
Tubastatin A

>  <Target> (386)
Apoptosis related,Autophagy,HDAC

>  <CAS> (386)
1252003-15-8

>  <URL> (386)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/06012611192D

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4757

>  <Formula> (387)
C24H29N5O3

>  <MolWeight> (387)
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S8772

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>  <Synonyms> (387)
N/A

>  <Target> (387)
TGF-beta/Smad

>  <Form> (387)
Free Base

>  <CAS> (387)
1898283-02-7

>  <URL> (387)
http://www.selleckchem.com/products/ly3200882.html

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csChFnd80/06012611192D

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M  END
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4760

>  <Formula> (388)
C18H13F2N3O3S

>  <MolWeight> (388)
389.3759264

>  <Cat> (388)
S8776

>  <Name> (388)
WM-1119

>  <Synonyms> (388)
N/A

>  <Target> (388)
Histone Acetyltransferase

>  <Form> (388)
Free Base

>  <CAS> (388)
2055397-28-7

>  <URL> (388)
http://www.selleckchem.com/products/wm-1119.html

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4764

>  <Formula> (389)
C22H21F3N6O2

>  <MolWeight> (389)
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>  <Cat> (389)
S8801

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CC-90003

>  <Synonyms> (389)
N/A

>  <Target> (389)
ERK

>  <Form> (389)
Free Base

>  <CAS> (389)
1621999-82-3

>  <URL> (389)
http://www.selleckchem.com/products/cc-90003.html

$$$$

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 13  8  2  0  0  0  0
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4766

>  <Formula> (390)
C17H13ClN2O3

>  <MolWeight> (390)
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>  <Cat> (390)
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>  <Synonyms> (390)
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CXCR

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>  <CAS> (390)
2172879-52-4

>  <URL> (390)
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M  END
>  <Mol_ID> (391)
4820

>  <Formula> (391)
C38H37ClN8O7S

>  <MolWeight> (391)
785.26778

>  <Cat> (391)
S8296

>  <Name> (391)
dBET1

>  <Synonyms> (391)
N/A

>  <Target> (391)
Epigenetic Reader Domain,PROTAC

>  <Form> (391)
free base

>  <CAS> (391)
1799711-21-9

>  <URL> (391)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (392)
4834

>  <Formula> (392)
C20H22F9N3O2

>  <MolWeight> (392)
507.3932088

>  <Cat> (392)
S8823

>  <Name> (392)
ABX-1431

>  <Synonyms> (392)
N/A

>  <Target> (392)
Lipase

>  <Form> (392)
Free Base

>  <CAS> (392)
1446817-84-0

>  <URL> (392)
http://www.selleck.cn/products/abx-1431.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (393)
4841

>  <Formula> (393)
C19H18N4O3

>  <MolWeight> (393)
350.37122

>  <Cat> (393)
S8684

>  <Name> (393)
Selective JAK3 inhibitor 1

>  <Synonyms> (393)
N/A

>  <Target> (393)
JAK

>  <Form> (393)
Free Base

>  <CAS> (393)
1443235-95-7

>  <URL> (393)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (394)
4842

>  <Formula> (394)
C23H20FN7O

>  <MolWeight> (394)
429.4496032

>  <Cat> (394)
S8693

>  <Name> (394)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (394)
N/A

>  <Target> (394)
PI3K

>  <Form> (394)
Free Base

>  <CAS> (394)
2088525-31-7

>  <URL> (394)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (395)
4849

>  <Formula> (395)
C27H29N5O3

>  <MolWeight> (395)
471.55086

>  <Cat> (395)
S8791

>  <Name> (395)
Zanubrutinib (BGB-3111)

>  <Synonyms> (395)
N/A

>  <Target> (395)
BTK

>  <Form> (395)
Free Base

>  <CAS> (395)
1691249-45-2

>  <URL> (395)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (396)
4853

>  <Formula> (396)
C18H23ClN4O

>  <MolWeight> (396)
346.85442

>  <Cat> (396)
S8438

>  <Name> (396)
T-3775440 HCl

>  <Synonyms> (396)
N/A

>  <Target> (396)
Histone Demethylase,LSD1

>  <Form> (396)
HCl

>  <CAS> (396)
1422535-52-1

>  <URL> (396)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/06012611192D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (397)
4854

>  <Formula> (397)
C21H17N9O2S

>  <MolWeight> (397)
459.48378

>  <Cat> (397)
S8676

>  <Name> (397)
Glumetinib (SCC244)

>  <Synonyms> (397)
N/A

>  <Target> (397)
c-Met,RON

>  <Form> (397)
free base

>  <CAS> (397)
1642581-63-2

>  <URL> (397)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (398)
4858

>  <Formula> (398)
C31H34N4O2

>  <MolWeight> (398)
494.62726

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S8746

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2052128-15-9

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http://www.selleck.cn/products/h3b-5942.html

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N/A

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c-Met

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free base

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943540-74-7

>  <URL> (399)
http://www.selleck.cn/products/jnj-38877618.html

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>  <Formula> (400)
C21H31N5O2

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S8864

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>  <Synonyms> (400)
N/A

>  <Target> (400)
Serine/threonin kinase

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>  <CAS> (400)
2328073-61-4

>  <URL> (400)
http://www.selleck.cn/products/zt-12-037-01.html

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>  <Formula> (401)
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>  <Synonyms> (401)
N/A

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TBK1

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free base

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2361659-62-1

>  <URL> (401)
http://www.selleck.cn/products/gsk8612.html

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>  <Mol_ID> (402)
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1945950-21-9

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31993-01-8

>  <URL> (412)
http://www.selleck.cn/products/sib-1757.html

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5066

>  <Formula> (413)
C18H16Cl2N4O2

>  <MolWeight> (413)
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S8944

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G150

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N/A

>  <Target> (413)
cGAS

>  <Form> (413)
Free Base

>  <CAS> (413)
2369751-30-2

>  <URL> (413)
http://www.selleck.cn/products/g150.html

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5074

>  <Formula> (414)
C21H20Cl2N10O

>  <MolWeight> (414)
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>  <Cat> (414)
S8894

>  <Name> (414)
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>  <Synonyms> (414)
N/A

>  <Target> (414)
CDK

>  <Form> (414)
Free Base

>  <CAS> (414)
2387704-62-1

>  <URL> (414)
http://www.selleckchem.com/products/sr-4835.html

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5082

>  <Formula> (415)
C15H11ClF3NO

>  <MolWeight> (415)
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>  <Cat> (415)
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>  <Synonyms> (415)
N/A

>  <Target> (415)
TEAD,YAP

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>  <CAS> (415)
2378626-29-8

>  <URL> (415)
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>  <Formula> (416)
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>  <MolWeight> (416)
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HDAC

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1550053-02-5

>  <URL> (416)
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 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  1  0  0  0  0
 13 16  1  0  0  0  0
  1 10  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 24  1  0  0  0  0
  5 18  1  0  0  0  0
M  END
>  <Mol_ID> (417)
5096

>  <Formula> (417)
C17H12ClF3N2O

>  <MolWeight> (417)
352.7381896

>  <Cat> (417)
S6686

>  <Name> (417)
SC-560

>  <Synonyms> (417)
N/A

>  <Target> (417)
COX

>  <Form> (417)
Free Base

>  <CAS> (417)
188817-13-2

>  <URL> (417)
http://www.selleckchem.com/products/sc-560.html

$$$$

csChFnd80/06012611192D

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  1 11  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 16  1  0  0  0  0
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (418)
5211

>  <Formula> (418)
C11H15N3O2S

>  <MolWeight> (418)
253.3207

>  <Cat> (418)
S0018

>  <Name> (418)
Verdiperstat

>  <Synonyms> (418)
AZD-3241, BHV-3241

>  <Target> (418)
Peroxidases

>  <Form> (418)
free base

>  <CAS> (418)
890655-80-8

>  <URL> (418)
http://www.selleckchem.com/products/verdiperstat.html

$$$$

csChFnd80/06012611192D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
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 17 18  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  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
M  END
>  <Mol_ID> (419)
5251

>  <Formula> (419)
C15H17ClN6O3

>  <MolWeight> (419)
364.78688

>  <Cat> (419)
S0377

>  <Name> (419)
CS-2660 (JNJ-38158471)

>  <Synonyms> (419)
N/A

>  <Target> (419)
c-Kit,c-RET,VEGFR

>  <Form> (419)
free base

>  <CAS> (419)
951151-97-6

>  <URL> (419)
http://www.selleckchem.com/products/jnj-38158471.html

$$$$

csChFnd80/06012611192D

 32 34  0  0  0  0  0  0  0  0999 V2000
    5.2325    2.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325    3.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1325    3.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325    2.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1325    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9651    4.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8325    5.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6998    4.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6861    7.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5137    4.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7261    4.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3055    4.7001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    2.6074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3055    3.3050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7261    6.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9344    4.0050    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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  7 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
 22 25  2  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
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (420)
5268

>  <Formula> (420)
C22H22F3N3O4

>  <MolWeight> (420)
449.4229896

>  <Cat> (420)
S0709

>  <Name> (420)
Tubastatin A TFA

>  <Synonyms> (420)
Tubastatin A trifluoroacetate salt

>  <Target> (420)
Apoptosis related,Autophagy,HDAC

>  <Form> (420)
trifluoroacetate

>  <CAS> (420)
1239262-52-2

>  <URL> (420)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

csChFnd80/06012611192D

 31 36  0  0  0  0  0  0  0  0999 V2000
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    8.4142    3.7525    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3714    5.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3121    6.8940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5890    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2191    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 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> (421)
5374

>  <Formula> (421)
C20H15F3N8

>  <MolWeight> (421)
424.3819096

>  <Cat> (421)
S6762

>  <Name> (421)
Bozitinib (PLB-1001)

>  <Synonyms> (421)
CBT-101, APL-101, CBI-3103

>  <Target> (421)
c-Met

>  <Form> (421)
free base

>  <CAS> (421)
1440964-89-5

>  <URL> (421)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/06012611192D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    7.2000    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7132    4.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4008    5.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4097    3.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4080    8.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 29  2  0  0  0  0
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  3 18  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 22  2  0  0  0  0
  7 29  1  0  0  0  0
  7 32  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 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  1  0  0  0
 17 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 26  2  0  0  0  0
 26 29  1  0  0  0  0
 26 31  1  0  0  0  0
 27 30  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (422)
5412

>  <Formula> (422)
C25H27N5O2

>  <MolWeight> (422)
429.51418

>  <Cat> (422)
S8574

>  <Name> (422)
BI 894999

>  <Synonyms> (422)
N/A

>  <Target> (422)
Epigenetic Reader Domain

>  <Form> (422)
free base

>  <CAS> (422)
1660117-38-3

>  <URL> (422)
http://www.selleckchem.com/products/bi894999.html

$$$$

csChFnd80/06012611192D

 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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  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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  5  9  1  0  0  0  0
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  4 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
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (423)
5416

>  <Formula> (423)
C18H18F2N2O4

>  <MolWeight> (423)
364.3433264

>  <Cat> (423)
S8824

>  <Name> (423)
EMD638683

>  <Synonyms> (423)
N/A

>  <Target> (423)
SGK

>  <Form> (423)
free base

>  <CAS> (423)
1181770-72-8

>  <URL> (423)
http://www.selleckchem.com/products/emd638683.html

$$$$

csChFnd80/06012611192D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   14.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   15.3757    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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  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
 16 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  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (424)
5436

>  <Formula> (424)
C26H25N3O3

>  <MolWeight> (424)
427.495

>  <Cat> (424)
S9600

>  <Name> (424)
Orelabrutinib (ICP-022)

>  <Synonyms> (424)
ICP-022

>  <Target> (424)
BTK

>  <Form> (424)
free base

>  <CAS> (424)
1655504-04-3

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

$$$$

csChFnd80/06012611192D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.2497    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    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
   11.0995    0.7000    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 28  1  0  0  0  0
  3 20  2  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 35  2  0  0  0  0
  6 20  1  0  0  0  0
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  7 33  2  0  0  0  0
  8 31  1  0  0  0  0
  8 34  1  0  0  0  0
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  9 32  2  0  0  0  0
  9 33  1  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
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
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 15 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
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 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
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 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
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 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <Mol_ID> (425)
5449

>  <Formula> (425)
C27H27F2N5O3

>  <MolWeight> (425)
507.5317864

>  <Cat> (425)
S9660

>  <Name> (425)
Remibrutinib (LOU064)

>  <Synonyms> (425)
N/A

>  <Target> (425)
BTK,Interleukins

>  <Form> (425)
free base

>  <CAS> (425)
1787294-07-8

>  <URL> (425)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/06012611192D

 28 32  0  0  0  0  0  0  0  0999 V2000
    3.7978    8.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (426)
5452

>  <Formula> (426)
C21H25N5O2

>  <MolWeight> (426)
379.4555

>  <Cat> (426)
S9694

>  <Name> (426)
MLi-2

>  <Synonyms> (426)
N/A

>  <Target> (426)
LRRK2

>  <Form> (426)
free base

>  <CAS> (426)
1627091-47-7

>  <URL> (426)
http://www.selleckchem.com/products/mli-2.html

$$$$

csChFnd80/06012611192D

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>  <Mol_ID> (427)
5569

>  <Formula> (427)
C24H21N3O6S

>  <MolWeight> (427)
479.50504

>  <Cat> (427)
S0341

>  <Name> (427)
T-26c

>  <Synonyms> (427)
N/A

>  <Target> (427)
MMP

>  <Form> (427)
Free Base

>  <CAS> (427)
869296-13-9

>  <URL> (427)
https://www.selleckchem.com/products/t-26c.html

$$$$

csChFnd80/06012611192D

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>  <Mol_ID> (428)
5576

>  <Formula> (428)
C17H18N4O3S

>  <MolWeight> (428)
358.41482

>  <Cat> (428)
S0385

>  <Name> (428)
S6K-18

>  <Synonyms> (428)
N/A

>  <Target> (428)
S6 Kinase

>  <Form> (428)
Free Base

>  <CAS> (428)
1265789-88-5

>  <URL> (428)
https://www.selleckchem.com/products/s6k-18.html

$$$$

csChFnd80/06012611192D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (429)
5768

>  <Formula> (429)
C12H8N4O6S

>  <MolWeight> (429)
336.28012

>  <Cat> (429)
S9686

>  <Name> (429)
NBQX (FG9202)

>  <Synonyms> (429)
NNC 079202

>  <Target> (429)
GluR

>  <Form> (429)
Free Base

>  <CAS> (429)
118876-58-7

>  <URL> (429)
https://www.selleckchem.com/products/nbqx.html

$$$$

csChFnd80/06012611192D

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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
 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> (430)
5898

>  <Formula> (430)
C21H22F2N6O2

>  <MolWeight> (430)
428.4351864

>  <Cat> (430)
S5860

>  <Name> (430)
Larotrectinib

>  <Synonyms> (430)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (430)
Trk receptor

>  <Form> (430)
Free Base

>  <CAS> (430)
1223403-58-4

>  <URL> (430)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/06012611192D

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    8.4870    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 N   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
    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
    3.6373    9.8000    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
    2.4249   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 N   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    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    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 C   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
    8.4870   14.0000    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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    7.2746    6.3000    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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  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
  5 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 15 18  1  0  0  0  0
 11 12  1  0  0  0  0
  9 11  1  0  0  0  0
  1  7  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 32  1  0  0  0  0
  4 25  1  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 38  1  0  0  0  0
 33 38  2  0  0  0  0
 39 40  1  0  0  0  0
 36 39  1  0  0  0  0
 41 42  1  0  0  0  0
 34 41  1  0  0  0  0
  1 33  1  0  0  0  0
M  END
>  <Mol_ID> (431)
5934

>  <Formula> (431)
C32H37N7O3

>  <MolWeight> (431)
567.68128

>  <Cat> (431)
S8393

>  <Name> (431)
HG-9-91-01

>  <Synonyms> (431)
SIK inhibitor 1

>  <Target> (431)
SIK

>  <Form> (431)
Free Base

>  <CAS> (431)
1456858-58-4

>  <URL> (431)
http://www.selleckchem.com/products/hg-9-91-01.html

$$$$

csChFnd80/06012611192D

 33 38  0  0  0  0  0  0  0  0999 V2000
   11.4142    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4142    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7456    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5685    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7456    2.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  9  3  1  0  0  0  0
  7  1  2  0  0  0  0
  2 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  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  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 26  1  0  0  0  0
 20 25  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  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
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5 27  1  0  0  0  0
M  END
>  <Mol_ID> (432)
5955

>  <Formula> (432)
C23H25N9O

>  <MolWeight> (432)
443.5043

>  <Cat> (432)
S9715

>  <Name> (432)
Lanraplenib (GS-9876)

>  <Synonyms> (432)
GS-SYK

>  <Target> (432)
Syk

>  <Form> (432)
Free Base

>  <CAS> (432)
1800046-95-0

>  <URL> (432)
http://www.selleckchem.com/products/lanraplenib.html

$$$$

csChFnd80/06012611192D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    7.2746    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1732    8.1447    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
 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
  3 16  1  0  0  0  0
  1 17  1  0  0  0  0
 16 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 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
 22 27  1  1  0  0  0
 21 28  1  0  0  0  0
M  END
>  <Mol_ID> (433)
5960

>  <Formula> (433)
C20H21N7O

>  <MolWeight> (433)
375.42704

>  <Cat> (433)
S9864

>  <Name> (433)
Elimusertib (BAY-1895344)

>  <Synonyms> (433)
N/A

>  <Target> (433)
ATM/ATR

>  <Form> (433)
Free Base

>  <CAS> (433)
1876467-74-1

>  <URL> (433)
http://www.selleckchem.com/products/elimusertib-bay-1895344-.html

$$$$

csChFnd80/06012611192D

 38 42  0  0  0  0  0  0  0  0999 V2000
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   11.0071    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0071    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2195    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3334   12.6762    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
  1 25  1  0  0  0  0
  2 12  2  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 33  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  1  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 20  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  2  0  0  0  0
 24 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 31  2  0  0  0  0
 27 32  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 34  2  0  0  0  0
 30 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (434)
6062

>  <Formula> (434)
C32H29NO5

>  <MolWeight> (434)
507.57636

>  <Cat> (434)
S0326

>  <Name> (434)
Olodanrigan (EMA401)

>  <Synonyms> (434)
PD-126055, (S) PD-126055

>  <Target> (434)
Angiotensin Receptor

>  <Form> (434)
Free Base

>  <CAS> (434)
1316755-16-4

>  <URL> (434)
http://www.selleckchem.com/products/ema401.html

$$$$

csChFnd80/06012611192D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    2.5862    0.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0657    5.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0660    6.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  2  0  0  0  0
  6 15  1  0  0  0  0
  6 17  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 14 15  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
 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> (435)
6113

>  <Formula> (435)
C16H19Cl2N5

>  <MolWeight> (435)
352.26156

>  <Cat> (435)
S6388

>  <Name> (435)
SHP099

>  <Synonyms> (435)
N/A

>  <Target> (435)
phosphatase

>  <Form> (435)
Free Base

>  <CAS> (435)
1801747-42-1

>  <URL> (435)
http://www.selleckchem.com/products/shp099.html

$$$$

csChFnd80/06012611192D

 16 19  0  0  0  0  0  0  0  0999 V2000
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    0.9082    2.6136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6874    2.6698    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0214    3.9162    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.0681    0.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  2  0  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
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 11 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
M  END
>  <Mol_ID> (436)
6132

>  <Formula> (436)
C13H13N3

>  <MolWeight> (436)
211.26242

>  <Cat> (436)
S6985

>  <Name> (436)
Varenicline

>  <Synonyms> (436)
Chantix, Champix,CP 526555

>  <Target> (436)
AChR

>  <Form> (436)
Free Base

>  <CAS> (436)
249296-44-4

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

$$$$

csChFnd80/06012611192D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.1579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9616    2.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  8 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  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 16  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 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 28  1  0  0  0  0
M  END
>  <Mol_ID> (437)
6153

>  <Formula> (437)
C25H28N6O2

>  <MolWeight> (437)
444.52882

>  <Cat> (437)
S9870

>  <Name> (437)
STM2457

>  <Synonyms> (437)
N/A

>  <Target> (437)
Transferase

>  <Form> (437)
Free Base

>  <CAS> (437)
2499663-01-1

>  <URL> (437)
http://www.selleckchem.com/products/stm2457.html

$$$$

csChFnd80/06012611192D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   11.4355    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0355    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0355    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2481    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2481    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6107    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0355    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2481    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2 19  1  0  0  0  0
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  5 15  2  0  0  0  0
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  8 15  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  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
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (438)
6170

>  <Formula> (438)
C23H25N3O4S2

>  <MolWeight> (438)
471.5923

>  <Cat> (438)
S0050

>  <Name> (438)
ML277

>  <Synonyms> (438)
CID-53347902

>  <Target> (438)
Potassium Channel

>  <Form> (438)
Free Base

>  <CAS> (438)
1401242-74-7

>  <URL> (438)
http://www.selleckchem.com/products/ml277.html

$$$$

csChFnd80/06012611192D

 35 37  0  0  0  0  0  0  0  0999 V2000
   15.7707    6.1150    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5583    5.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9168    7.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9831    6.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3459    6.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2130    6.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  2  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
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  6 23  1  0  0  0  0
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  8 21  2  0  0  0  0
  9 26  2  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
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 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 22  1  0  0  0  0
 17 30  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
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 23 31  1  0  0  0  0
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 25 27  2  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (439)
6224

>  <Formula> (439)
C21H17F4N2O7P

>  <MolWeight> (439)
516.3362538

>  <Cat> (439)
S1335

>  <Name> (439)
VX-150

>  <Synonyms> (439)
EOS-62073

>  <Target> (439)
Sodium Channel

>  <Form> (439)
Free Base

>  <CAS> (439)
1793080-72-4

>  <URL> (439)
http://www.selleckchem.com/products/vx-150.html

$$$$

csChFnd80/06012611192D

 22 23  0  0  0  0  0  0  0  0999 V2000
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   10.9322    2.1086    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 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4 12  2  0  0  0  0
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  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (440)
6238

>  <Formula> (440)
C15H11Cl2NO4

>  <MolWeight> (440)
340.15814

>  <Cat> (440)
S6070

>  <Name> (440)
CBA (TRPM4-IN-5)

>  <Synonyms> (440)
Compound 5, TRPM4 inhibitor 5

>  <Target> (440)
TRP Channel

>  <Form> (440)
Free Base

>  <CAS> (440)
351424-20-9

>  <URL> (440)
http://www.selleckchem.com/products/cba-trpm4-in-1.html

$$$$

csChFnd80/06012611192D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.4576    3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6728    4.1108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4572    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6344    2.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2421    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284    2.2306    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  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
  3  8  1  0  0  0  0
  2  3  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
 13 14  1  0  0  0  0
 10 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
 19 22  1  0  0  0  0
  9 16  1  0  0  0  0
  1 11  1  0  0  0  0
  1 23  2  0  0  0  0
M  END
>  <Mol_ID> (441)
6251

>  <Formula> (441)
C19H23ClN2O

>  <MolWeight> (441)
330.85172

>  <Cat> (441)
S6943

>  <Name> (441)
IU1-47

>  <Synonyms> (441)
N/A

>  <Target> (441)
DUB

>  <Form> (441)
Free Base

>  <CAS> (441)
670270-31-2

>  <URL> (441)
http://www.selleckchem.com/products/iu1-47.html

$$$$

csChFnd80/06012611192D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.3923    4.3373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5467    3.6373    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  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
  7 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 15  1  0  0  0  0
  1 16  2  0  0  0  0
  1 17  2  0  0  0  0
M  END
>  <Mol_ID> (442)
6262

>  <Formula> (442)
C11H20ClNO3S

>  <MolWeight> (442)
281.7994

>  <Cat> (442)
S9782

>  <Name> (442)
Sulfopin

>  <Synonyms> (442)
PIN1-3

>  <Target> (442)
Others

>  <Form> (442)
Free Base

>  <CAS> (442)
2451481-08-4

>  <URL> (442)
http://www.selleckchem.com/products/sulfopin.html

$$$$

csChFnd80/06012611192D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.8711    0.0798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6940    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8736   10.9159    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  1  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  1  0  0  0  0
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  6  2  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 15  1  0  0  0  0
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 13 16  1  0  0  0  0
  7 10  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 27  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (443)
6271

>  <Formula> (443)
C19H12Cl3N3OS

>  <MolWeight> (443)
436.74208

>  <Cat> (443)
S9914

>  <Name> (443)
CITCO

>  <Synonyms> (443)
N/A

>  <Target> (443)
CAR

>  <Form> (443)
Free Base

>  <CAS> (443)
338404-52-7

>  <URL> (443)
http://www.selleckchem.com/products/citco.html

$$$$

csChFnd80/06012611192D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   18.0469    9.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2548    7.6166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6407    2.0980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 23 30  2  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 36  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <Mol_ID> (444)
6288

>  <Formula> (444)
C27H36N6O4

>  <MolWeight> (444)
508.61254

>  <Cat> (444)
E0049

>  <Name> (444)
Pizuglanstat (TAS-205)

>  <Synonyms> (444)
N/A

>  <Target> (444)
PGDS

>  <Form> (444)
Free Base

>  <CAS> (444)
1244967-98-3

>  <URL> (444)
http://www.selleckchem.com/products/pizuglanstat.html

$$$$

csChFnd80/06012611192D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4208    4.2439    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0509    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9189    4.9901    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
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 22 23  1  0  0  0  0
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M  END
>  <Mol_ID> (445)
6290

>  <Formula> (445)
C20H19F2N3O3

>  <MolWeight> (445)
387.3799664

>  <Cat> (445)
E0054

>  <Name> (445)
Tegoprazan

>  <Synonyms> (445)
CJ-12420, IN-A001, K-CAB, LXI-15028, RQ-00000004

>  <Target> (445)
ATPase

>  <Form> (445)
Free Base

>  <CAS> (445)
942195-55-3

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

$$$$

csChFnd80/06012611192D

 33 35  0  0  0  0  0  0  0  0999 V2000
   15.8686    2.5151    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9562    2.0026    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2288    6.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 18  2  0  0  0  0
 32  7  1  0  0  0  0
 28 26  1  0  0  0  0
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 25  7  1  0  0  0  0
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 31 14  1  0  0  0  0
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 17  7  1  0  0  0  0
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 15 26  1  0  0  0  0
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 11 16  2  0  0  0  0
 31  4  1  0  0  0  0
 19  8  1  0  0  0  0
  3 21  1  0  0  0  0
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 16 13  1  0  0  0  0
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M  END
>  <Mol_ID> (446)
6302

>  <Formula> (446)
C18H19F8N5O2

>  <MolWeight> (446)
489.3629856

>  <Cat> (446)
E0122

>  <Name> (446)
Gemigliptin

>  <Synonyms> (446)
Zemiglo, LC15-0444

>  <Target> (446)
DPP

>  <Form> (446)
Free Base

>  <CAS> (446)
911637-19-9

>  <URL> (446)
http://www.selleckchem.com/products/gemigliptin.html

$$$$

csChFnd80/06012611192D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1 19  1  0  0  0  0
M  END
>  <Mol_ID> (447)
6324

>  <Formula> (447)
C25H28ClN3O2

>  <MolWeight> (447)
437.96172

>  <Cat> (447)
S0007

>  <Name> (447)
RO 5028442 (RG7713)

>  <Synonyms> (447)
N/A

>  <Target> (447)
Vasopressin Receptor

>  <Form> (447)
free base

>  <CAS> (447)
920022-47-5

>  <URL> (447)
http://www.selleckchem.com/products/ro-5028442-rg7713.html

$$$$

csChFnd80/06012611192D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5262    9.4902    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
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3621   11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3241   13.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2858   14.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934   14.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4 21  1  0  0  0  0
  5 23  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  0  0  0  0
  7 11  1  0  0  0  0
  7 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  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  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 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (448)
6328

>  <Formula> (448)
C25H27N3O3

>  <MolWeight> (448)
417.50018

>  <Cat> (448)
S9738

>  <Name> (448)
RS504393

>  <Target> (448)
CCR

>  <Form> (448)
free base

>  <CAS> (448)
300816-15-3

>  <URL> (448)
http://www.selleckchem.com/products/rs504393.html

$$$$

csChFnd80/06012611192D

 30 32  0  0  0  0  0  0  0  0999 V2000
   23.1028    7.7702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1500    6.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6780    3.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.8805    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8906    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   30.9520    4.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6458    3.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.0785    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4656    4.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0656    4.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7656    5.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   19.1426    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 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
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (449)
6336

>  <Formula> (449)
C23H27Cl2N5

>  <MolWeight> (449)
444.39998

>  <Cat> (449)
S9916

>  <Name> (449)
SCH79797 dihydrochloride

>  <Target> (449)
PAR

>  <Form> (449)
Dihydrochloride

>  <CAS> (449)
1216720-69-2

>  <URL> (449)
http://www.selleckchem.com/products/sch79797-dihydrochloride.html

$$$$

csChFnd80/06012611192D

 36 38  0  0  0  0  0  0  0  0999 V2000
    9.6995   18.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   20.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   14.7000    0.0000 O   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
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    1.2124    9.8000    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
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1335    7.6257    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 35  1  0  0  0  0
  3 25  1  0  0  0  0
  3 30  1  0  0  0  0
  4 26  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 16  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (450)
6378

>  <Formula> (450)
C29H33ClF2N2O2

>  <MolWeight> (450)
515.0343264

>  <Cat> (450)
S0080

>  <Name> (450)
SNAP94847 hydrochloride

>  <Synonyms> (450)
SNAP 94847 hydrochloride

>  <Target> (450)
GPR

>  <Form> (450)
hydrochloride

>  <CAS> (450)
1781934-47-1

>  <URL> (450)
http://www.selleckchem.com/products/snap94847.html

$$$$

csChFnd80/06012611192D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6372    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  6  1  0  0  0  0
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 10  6  2  0  0  0  0
  7  5  2  0  0  0  0
  3 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
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 19 22  1  0  0  0  0
 15 19  1  0  0  0  0
 12 13  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
>  <Mol_ID> (451)
6380

>  <Formula> (451)
C16H12F3NOS

>  <MolWeight> (451)
323.3327896

>  <Cat> (451)
S0090

>  <Name> (451)
NS6180

>  <Synonyms> (451)
N/A

>  <Target> (451)
Potassium Channel

>  <Form> (451)
free base

>  <CAS> (451)
353262-04-1

>  <URL> (451)
http://www.selleckchem.com/products/ns6180.html

$$$$

csChFnd80/06012611192D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   10.5501    6.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0625    8.6394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8944    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2259    3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9752    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6034    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    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
  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
 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
 11 15  1  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
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 26  1  0  0  0  0
 15 20  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (452)
6418

>  <Formula> (452)
C16H11ClF3N3O2S

>  <MolWeight> (452)
401.7906496

>  <Cat> (452)
S0762

>  <Name> (452)
SC 236

>  <Synonyms> (452)
N/A

>  <Target> (452)
COX

>  <Form> (452)
free base

>  <CAS> (452)
170569-86-5

>  <URL> (452)
http://www.selleckchem.com/products/sc-236.html

$$$$

csChFnd80/06012611192D

 27 29  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  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
  4 11  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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 12 17  2  0  0  0  0
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 16 18  1  0  0  0  0
 20 21  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> (453)
6426

>  <Formula> (453)
C20H22N2O5

>  <MolWeight> (453)
370.39908

>  <Cat> (453)
S0848

>  <Name> (453)
GAK inhibitor 49

>  <Synonyms> (453)
N/A

>  <Target> (453)
Serine/threonin kinase

>  <Form> (453)
free base

>  <CAS> (453)
319492-82-5

>  <URL> (453)
http://www.selleckchem.com/products/gak-inhibitor-49.html

$$$$

csChFnd80/06012611192D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0778    6.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3568    5.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6137    6.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4894    6.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3431    8.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7684    6.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4757    8.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9009    7.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7547    8.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (454)
6449

>  <Formula> (454)
C22H18F3N3O4S

>  <MolWeight> (454)
477.4562296

>  <Cat> (454)
S2880

>  <Name> (454)
GW843682X

>  <Target> (454)
PLK

>  <Form> (454)
free base

>  <CAS> (454)
660868-91-7

>  <URL> (454)
http://www.selleckchem.com/products/gw-843682x.html

$$$$

csChFnd80/06012611192D

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.0291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.3291    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5930    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.1291    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8035   12.4844    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 14  1  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  1  6  0  0  0
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 10 11  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (455)
6463

>  <Formula> (455)
C27H23ClN2O5

>  <MolWeight> (455)
490.93492

>  <Cat> (455)
S3534

>  <Name> (455)
AM966

>  <Synonyms> (455)
N/A

>  <Target> (455)
LPA Receptor

>  <Form> (455)
free base

>  <CAS> (455)
1228690-19-4

>  <URL> (455)
http://www.selleckchem.com/products/am966.html

$$$$

csChFnd80/06012611192D

 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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    8.4873    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 29  1  0  0  0  0
  7 29  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 11 17  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 25  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (456)
6501

>  <Formula> (456)
C21H17ClF6N2O2

>  <MolWeight> (456)
478.8152992

>  <Cat> (456)
E0345

>  <Name> (456)
CCG-100602

>  <Synonyms> (456)
N/A

>  <Target> (456)
Rho

>  <Form> (456)
free base

>  <CAS> (456)
1207113-88-9

>  <URL> (456)
http://www.selleckchem.com/products/ccg-100602.html

$$$$

csChFnd80/06012611192D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7999    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
    6.0621    2.7999    0.0000 C   0  0  0  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
    3.6372    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7611    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7611    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    4.8999    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
  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
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  1 11  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
 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
 17 21  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (457)
6507

>  <Formula> (457)
C20H25N3O2

>  <MolWeight> (457)
339.4314

>  <Cat> (457)
E0379

>  <Name> (457)
SEN12333

>  <Synonyms> (457)
WAY-317538

>  <Target> (457)
AChR,Calcium Channel

>  <Form> (457)
free base

>  <CAS> (457)
874450-44-9

>  <URL> (457)
http://www.selleckchem.com/products/sen12333.html

$$$$

csChFnd80/06012611192D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8496    2.8001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8496    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    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    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 S   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
    0.0000    2.8001    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    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
    7.2743    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    0.7000    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  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
  7  5  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 18 19  1  0  0  0  0
 12 18  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (458)
6510

>  <Formula> (458)
C21H23NOS

>  <MolWeight> (458)
337.47842

>  <Cat> (458)
E0388

>  <Name> (458)
WQ 1

>  <Target> (458)
Dopamine Receptor,Sigma Receptor

>  <Form> (458)
free base

>  <CAS> (458)
1204401-49-9

>  <URL> (458)
http://www.selleckchem.com/products/wq-1.html

$$$$

csChFnd80/06012611192D

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7997    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
    3.6373    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2745    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    6.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6992    9.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    8.3996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    9.0996    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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  5 14  1  0  0  0  0
  1 14  1  0  0  0  0
 13 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
 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
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 19 22  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (459)
6518

>  <Formula> (459)
C24H24N4

>  <MolWeight> (459)
368.47416

>  <Cat> (459)
E0408

>  <Name> (459)
JP1302

>  <Synonyms> (459)
MMV006172

>  <Target> (459)
Adrenergic Receptor

>  <Form> (459)
free base

>  <CAS> (459)
80259-18-3

>  <URL> (459)
http://www.selleckchem.com/products/mmv006172.html

$$$$

csChFnd80/06012611192D

 36 39  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.1123    0.0000 C   0  0  0  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
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5496    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496    8.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.5123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4868    7.5123    0.0000 C   0  0  0  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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    4.8496    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1241    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    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
  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 19 20  1  0  0  0  0
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  4 36  1  0  0  0  0
M  END
>  <Mol_ID> (460)
6535

>  <Formula> (460)
C27H25N3O4S2

>  <MolWeight> (460)
519.6351

>  <Cat> (460)
E0482

>  <Name> (460)
MP-A08

>  <Synonyms> (460)
N/A

>  <Target> (460)
S1P Receptor

>  <Form> (460)
free base

>  <CAS> (460)
219832-49-2

>  <URL> (460)
http://www.selleckchem.com/products/mp-a08.html

$$$$

csChFnd80/06012611192D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
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M  END
>  <Mol_ID> (461)
6547

>  <Formula> (461)
C23H31NO3

>  <MolWeight> (461)
369.49714

>  <Cat> (461)
E0527

>  <Name> (461)
Norgestimate

>  <Target> (461)
Estrogen/progestogen Receptor

>  <Form> (461)
free base

>  <CAS> (461)
35189-28-7

>  <URL> (461)
http://www.selleckchem.com/products/norgestimate.html

$$$$

csChFnd80/06012611192D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  6  0  0  0
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 12  6  1  1  0  0  0
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M  END
>  <Mol_ID> (462)
6573

>  <Formula> (462)
C23H30O4

>  <MolWeight> (462)
370.4819

>  <Cat> (462)
E0707

>  <Name> (462)
Nomegestrol Acetate

>  <Target> (462)
Estrogen/progestogen Receptor

>  <Form> (462)
free base

>  <CAS> (462)
58652-20-3

>  <URL> (462)
http://www.selleckchem.com/products/nomegestrol-acetate.html

$$$$

csChFnd80/06012611192D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  7 10  1  0  0  0  0
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M  END
>  <Mol_ID> (463)
6582

>  <Formula> (463)
C19H27ClFN3O2

>  <MolWeight> (463)
383.8879832

>  <Cat> (463)
E0777

>  <Name> (463)
Z944

>  <Target> (463)
Calcium Channel

>  <Form> (463)
free base

>  <CAS> (463)
1199236-64-0

>  <URL> (463)
http://www.selleckchem.com/products/z944.html

$$$$

csChFnd80/06012611192D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (464)
6604

>  <Formula> (464)
C23H25N3O4S2

>  <MolWeight> (464)
471.5923

>  <Cat> (464)
E0808

>  <Name> (464)
BI-6C9

>  <Target> (464)
Apoptosis related

>  <Form> (464)
free base

>  <CAS> (464)
791835-21-7

>  <URL> (464)
http://www.selleckchem.com/products/bl-6C9.html

$$$$

csChFnd80/06012611192D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.4282    5.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    7.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2310    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    7.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    9.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8276    4.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5276    5.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8187    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7028    7.2395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    7.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    7.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    5.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    5.8395    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7 31  2  0  0  0  0
  8 31  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  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> (465)
6632

>  <Formula> (465)
C21H20FN3O5S

>  <MolWeight> (465)
445.4640032

>  <Cat> (465)
E0960

>  <Name> (465)
RO5186582

>  <Synonyms> (465)
Basmisanil, RG1662

>  <Target> (465)
GABA Receptor

>  <Form> (465)
free base

>  <CAS> (465)
1159600-41-5

>  <URL> (465)
http://www.selleckchem.com/products/ro5186582.html

$$$$

csChFnd80/06012611192D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.6372    4.8999    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6372    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    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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   12.1242    6.9999    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2999    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 12  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
  3  7  1  0  0  0  0
  4  8  1  6  0  0  0
  4 22  1  0  0  0  0
  9 20  2  0  0  0  0
 10 21  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 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
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (466)
6639

>  <Formula> (466)
C17H17BrN3O5P

>  <MolWeight> (466)
454.211741

>  <Cat> (466)
E1050

>  <Name> (466)
PEAQX

>  <Synonyms> (466)
NVP-AAM077

>  <Target> (466)
NMDAR

>  <Form> (466)
free base

>  <CAS> (466)
459836-30-7

>  <URL> (466)
http://www.selleckchem.com/products/peaqx.html

$$$$

csChFnd80/06012611192D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.4406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6139    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2215    2.4116    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
  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  2  0  0  0  0
 12  8  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  9 21  2  0  0  0  0
M  END
>  <Mol_ID> (467)
6652

>  <Formula> (467)
C17H12N2O2

>  <MolWeight> (467)
276.28938

>  <Cat> (467)
E1120

>  <Name> (467)
TC-DAPK 6

>  <Target> (467)
DAPK,Serine/threonin kinase

>  <Form> (467)
free base

>  <CAS> (467)
315694-89-4

>  <URL> (467)
http://www.selleckchem.com/products/tc-dapk-6.html

$$$$

csChFnd80/06012611192D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    7.2746    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    8.3999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3367   12.5999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3999    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
   10.9118    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 28  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 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
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 27 34  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 34 35  1  0  0  0  0
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 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (468)
6662

>  <Formula> (468)
C28H32Cl2N6O3

>  <MolWeight> (468)
571.49808

>  <Cat> (468)
E1148

>  <Name> (468)
BOS-318

>  <Target> (468)
Others

>  <Form> (468)
free base

>  <CAS> (468)
2387633-15-8

>  <URL> (468)
http://www.selleckchem.com/products/bos-318.html

$$$$

csChFnd80/06012611192D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    4.8497    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7615    6.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.9999    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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 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
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M  END
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6676

>  <Formula> (469)
C27H29N3O3

>  <MolWeight> (469)
443.53746

>  <Cat> (469)
E1235

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>  <Target> (469)
GPR

>  <Form> (469)
free base

>  <CAS> (469)
2380230-73-7

>  <URL> (469)
http://www.selleckchem.com/products/nf-56-ej40.html

$$$$

csChFnd80/06012611192D

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6736

>  <Formula> (470)
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>  <MolWeight> (470)
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>  <Cat> (470)
E2640

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>  <Target> (470)
CDK

>  <Form> (470)
free base

>  <CAS> (470)
2376577-06-7

>  <URL> (470)
http://www.selleckchem.com/products/m2n12.html

$$$$

csChFnd80/06012611192D

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6744

>  <Formula> (471)
C9H7Br4N3

>  <MolWeight> (471)
476.78798

>  <Cat> (471)
E2659

>  <Name> (471)
DMAT

>  <Target> (471)
Casein Kinase

>  <Form> (471)
free base

>  <CAS> (471)
749234-11-5

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

$$$$

csChFnd80/06012611192D

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6770

>  <Formula> (472)
C25H26FN5O2

>  <MolWeight> (472)
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>  <Cat> (472)
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M7583

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BTK

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free base

>  <CAS> (472)
1415823-49-2

>  <URL> (472)
http://www.selleckchem.com/products/tl-895.html

$$$$
>  <Mol_ID> (473)
6794

>  <Cat> (473)
P1167

>  <Name> (473)
pm26TGF-¦Â1 peptide (TFA)

>  <Target> (473)
TGF-beta/Smad

>  <Form> (473)
free base

>  <URL> (473)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

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   21.2027    2.4609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6008    2.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3633    3.5618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7277    4.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0900    6.1615    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  2  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
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  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 23 24  1  0  0  0  0
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 22 21  1  1  0  0  0
 24 25  1  0  0  0  0
 22 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 22  1  0  0  0  0
 26 30  1  6  0  0  0
 27 31  1  6  0  0  0
 28 32  1  1  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 32  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 34  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (474)
6802

>  <Formula> (474)
C30H42N8O3

>  <MolWeight> (474)
562.70628

>  <Cat> (474)
S7062

>  <Name> (474)
Pinometostat (EPZ5676)

>  <Synonyms> (474)
N/A

>  <Target> (474)
DOT1,Histone Methyltransferase

>  <Form> (474)
free base

>  <CAS> (474)
1380288-87-8

>  <URL> (474)
http://www.selleckchem.com/products/epz-5676.html

$$$$

csChFnd80/06012611192D

 39 45  0  0  0  0  0  0  0  0999 V2000
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  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
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  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 39  1  6  0  0  0
 34 35  1  0  0  0  0
 34 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> (475)
6826

>  <Formula> (475)
C30H34N8

>  <MolWeight> (475)
506.64456

>  <Cat> (475)
S2841

>  <Name> (475)
Bemcentinib (R428)

>  <Synonyms> (475)
BGB324

>  <Target> (475)
Axl

>  <Form> (475)
free base

>  <CAS> (475)
1037624-75-1

>  <URL> (475)
http://www.selleckchem.com/products/r428.html

$$$$

csChFnd80/06012611192D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.5370    6.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1064    4.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348    8.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    7.6757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3259    9.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    8.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    9.1166    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7473    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    6.8104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
 24  1  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 27  1  0  0  0  0
  4  6  1  0  0  0  0
  6  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
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 23 12  1  1  0  0  0
 13 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 18  1  0  0  0  0
 16 20  1  0  0  0  0
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 17 22  2  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 28  1  6  0  0  0
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 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (476)
6829

>  <Formula> (476)
C17H19F3N6O

>  <MolWeight> (476)
380.3675696

>  <Cat> (476)
S8162

>  <Name> (476)
Upadacitinib (ABT-494)

>  <Synonyms> (476)
N/A

>  <Target> (476)
JAK

>  <Form> (476)
free base

>  <CAS> (476)
1310726-60-3

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

$$$$

csChFnd80/06012611192D

 42 47  0  0  0  0  0  0  0  0999 V2000
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   10.3796    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8838    4.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 22  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  6 26  1  0  0  0  0
 10 34  2  0  0  0  0
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 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  2  0  0  0  0
 19 21  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
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 27 28  2  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
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 38 40  2  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <Mol_ID> (477)
6830

>  <Formula> (477)
C32H30F2N4O4

>  <MolWeight> (477)
572.6018064

>  <Cat> (477)
S8381

>  <Name> (477)
BMS-986142

>  <Synonyms> (477)
N/A

>  <Target> (477)
BTK

>  <Form> (477)
free base

>  <CAS> (477)
1643368-58-4

>  <URL> (477)
http://www.selleckchem.com/products/bms-986142.html

$$$$

csChFnd80/06012611192D

 49 56  0  0  0  0  0  0  0  0999 V2000
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 41  9  1  6  0  0  0
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 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 34 35  2  0  0  0  0
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 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 45  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
>  <Mol_ID> (478)
6831

>  <Formula> (478)
C37H44N8O4

>  <MolWeight> (478)
664.79646

>  <Cat> (478)
S8421

>  <Name> (478)
Fenebrutinib (GDC-0853)

>  <Synonyms> (478)
N/A

>  <Target> (478)
BTK

>  <Form> (478)
free base

>  <CAS> (478)
1434048-34-6

>  <URL> (478)
http://www.selleckchem.com/products/fenebrutinib-gdc-0853.html

$$$$

csChFnd80/06012611192D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.8247    4.3461    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    9.2923    4.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9768    3.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3291    3.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6915    4.9798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25  5  1  1  0  0  0
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 28  7  1  1  0  0  0
  8  9  1  0  0  0  0
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 20 22  2  0  0  0  0
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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (479)
6833

>  <Formula> (479)
C22H28ClN5O2

>  <MolWeight> (479)
429.94302

>  <Cat> (479)
S8719

>  <Name> (479)
AZD4573

>  <Synonyms> (479)
N/A

>  <Target> (479)
CDK

>  <Form> (479)
free base

>  <CAS> (479)
2057509-72-3

>  <URL> (479)
http://www.selleckchem.com/products/azd4573.html

$$$$

csChFnd80/06012611192D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  ISO  1  32   2
M  ISO  1  33   2
M  ISO  1  34   2
M  END
>  <Mol_ID> (480)
6837

>  <Formula> (480)
C20H19D3N8O3

>  <MolWeight> (480)
425.458965334

>  <Cat> (480)
S8879

>  <Name> (480)
Deucravacitinib (BMS-986165)

>  <Synonyms> (480)
N/A

>  <Target> (480)
IFN,Interleukins,JAK

>  <Form> (480)
free base

>  <CAS> (480)
1609392-27-9

>  <URL> (480)
http://www.selleckchem.com/products/bms-986165.html

$$$$

csChFnd80/06012611192D

 51 53  0  0  0  0  0  0  0  0999 V2000
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    2.8000    6.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623   13.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6085   12.2401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778   11.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6778   13.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7411   14.2019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0704   13.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8932   12.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6397   14.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5473   10.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9397   10.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5090    9.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9014    9.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4709    7.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6480    6.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2173    5.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6097    5.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4326    6.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8632    7.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6861    8.8057    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792    3.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7486    2.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3177    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7102    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5329    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2796    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7367   19.7691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0700   19.7691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  3  1  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
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 18 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
 10 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 25  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 44 45  3  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
M  END
>  <Mol_ID> (481)
6846

>  <Formula> (481)
C37H40Cl2FN5O4S2

>  <MolWeight> (481)
772.7790032

>  <Cat> (481)
S7800

>  <Name> (481)
A-1155463 Dihydrochloride

>  <Synonyms> (481)
N/A

>  <Target> (481)
Bcl-2

>  <Form> (481)
Dihydrochloride

>  <CAS> (481)
1235034-55-5(free base)

>  <URL> (481)
http://www.selleckchem.com/products/a-1155463.html

$$$$

csChFnd80/06012611192D

 21 21  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
    8.4870    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    5.6000    0.0000 O   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    5.6000    0.0000 C   0  0  3  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  3  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   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
    0.0000    5.6000    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
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    3.9326    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
   11.3259    6.3420    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
  7  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
 11 12  1  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
 11 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  5  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
>  <Mol_ID> (482)
6857

>  <Formula> (482)
C17H28ClNO2

>  <MolWeight> (482)
313.86272

>  <Cat> (482)
S8114

>  <Name> (482)
ICI-118551 Hydrochloride

>  <Synonyms> (482)
ICI-118,551

>  <Target> (482)
Adrenergic Receptor

>  <Form> (482)
Hydrochloride

>  <CAS> (482)
72795-01-8

>  <URL> (482)
http://www.selleckchem.com/products/ici-118551-ici-118-551.html

$$$$

csChFnd80/06012611192D

 30 34  0  0  0  0  0  0  0  0999 V2000
   13.6152    7.1909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9693    2.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768    3.6291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734    1.9248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3077    2.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6077    5.9297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9929    2.4619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2716    4.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461    1.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808    0.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    2.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2652    2.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171    1.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2340    2.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7765    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0463    3.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7348    4.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5690    3.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    2.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8806    4.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0077    5.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    5.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3077    1.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6226    2.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2673    5.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0003    7.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0194    2.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3439    4.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 17  2  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
  6 25  1  0  0  0  0
  7 19  1  0  0  0  0
  7 23  1  0  0  0  0
  7 28  1  0  0  0  0
  8 18  2  0  0  0  0
  8 21  1  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  1  0  0  0  0
 20 26  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (483)
6885

>  <Formula> (483)
C21H24N8O

>  <MolWeight> (483)
404.46826

>  <Cat> (483)
S0177

>  <Name> (483)
XMD-17-51

>  <Synonyms> (483)
XMD17-51

>  <Target> (483)
AMPK

>  <Form> (483)
Free base

>  <CAS> (483)
1628614-50-5

>  <URL> (483)
http://www.selleckchem.com/products/xmd-17-51.html

$$$$

csChFnd80/06012611192D

 28 30  0  0  0  0  0  0  0  0999 V2000
   12.1078    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1078    3.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8956    1.4072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3355    1.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3409    4.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8956    4.2253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6831    2.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5672    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5674    3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3409    5.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6831    3.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4706    1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5531    6.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4713    4.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564    2.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2609    3.5107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    4.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377    3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    3.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    5.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    4.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    5.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3032    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8956    5.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7362    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8001    0.3389    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
  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 12  1  0  0  0  0
  8  9  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  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  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6 26  1  0  0  0  0
  3 27  1  1  0  0  0
  3 28  1  6  0  0  0
M  END
>  <Mol_ID> (484)
6890

>  <Formula> (484)
C22H28FNO3

>  <MolWeight> (484)
373.4610232

>  <Cat> (484)
S0313

>  <Name> (484)
Volinanserin

>  <Synonyms> (484)
Volinanserin Hydrochloride Salt, MDL100907, M 100907, MDL-100,907

>  <Target> (484)
5-HT Receptor

>  <Form> (484)
Free base

>  <CAS> (484)
139290-65-6

>  <URL> (484)
http://www.selleckchem.com/products/volinanserin.html

$$$$

csChFnd80/06012611192D

 52 57  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   10.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   10.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229    8.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    9.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544   10.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229   11.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5903   12.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5271   13.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0944   14.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   15.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882   14.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209   12.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7692    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9816    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1941    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9816    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9816    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9816    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9816    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4065    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6189    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8314    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8314   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6189   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4065   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0438   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2562   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4687   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6811   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8936   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1060   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3184   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5309   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7433   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9557   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1682   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2562    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7433   12.5991    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 11  1  0  0  0  0
 11  7  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
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  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
 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
 24 34  1  6  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 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  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  1  0  0  0  0
 44 45  1  0  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 50  1  0  0  0  0
 41 51  2  0  0  0  0
 48 52  2  0  0  0  0
 22 26  1  6  0  0  0
 20 19  1  6  0  0  0
M  END
>  <Mol_ID> (485)
6924

>  <Formula> (485)
C41H43N3O7S

>  <MolWeight> (485)
721.86102

>  <Cat> (485)
S2239

>  <Name> (485)
Tubacin

>  <Synonyms> (485)
N/A

>  <Target> (485)
Antiviral,DNA/RNA Synthesis,HDAC

>  <Form> (485)
Free base

>  <CAS> (485)
537049-40-4

>  <URL> (485)
http://www.selleckchem.com/products/Tubacin.html

$$$$

csChFnd80/06012611192D

 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
    4.8498    0.7000    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    0.7000    0.0000 O   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
    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    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
    9.6994    6.3000    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
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   16.7650    5.3709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  6  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  4 10  2  0  0  0  0
  5 18  1  0  0  0  0
  6 20  1  0  0  0  0
  7 24  1  0  0  0  0
  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> (486)
6989

>  <Formula> (486)
C21H18ClFN6O2

>  <MolWeight> (486)
440.8580232

>  <Cat> (486)
S7554

>  <Name> (486)
Ravoxertinib (GDC-0994)

>  <Synonyms> (486)
N/A

>  <Target> (486)
ERK

>  <Form> (486)
Free base

>  <CAS> (486)
1453848-26-4

>  <URL> (486)
http://www.selleckchem.com/products/gdc-0994.html

$$$$

csChFnd80/06012611192D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    3.9550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1599    5.1674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441    5.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905    4.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5122    5.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5021    4.5398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8745    6.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0286    4.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1166    5.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6148    6.3277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3909    2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9796    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9695    2.4623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5902    2.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3318    3.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 21 26  2  0  0  0  0
  2 27  1  0  0  0  0
 24 28  1  1  0  0  0
M  END
>  <Mol_ID> (487)
6992

>  <Formula> (487)
C20H21FN6O

>  <MolWeight> (487)
380.4187432

>  <Cat> (487)
S8636

>  <Name> (487)
Selitrectinib (LOXO-195)

>  <Synonyms> (487)
BAY 2731954

>  <Target> (487)
Trk receptor

>  <Form> (487)
Free base

>  <CAS> (487)
2097002-61-2

>  <URL> (487)
http://www.selleckchem.com/products/loxo-195.html

$$$$

csChFnd80/06012611192D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5999    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
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  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
 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> (488)
6999

>  <Formula> (488)
C15H11ClFN5

>  <MolWeight> (488)
315.7327432

>  <Cat> (488)
S8720

>  <Name> (488)
Imaradenant (AZD4635)

>  <Synonyms> (488)
HTL1071

>  <Target> (488)
Adenosine Receptor

>  <Form> (488)
Free base

>  <CAS> (488)
1321514-06-0

>  <URL> (488)
http://www.selleckchem.com/products/adz-4635.html

$$$$

csChFnd80/06012611192D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.6424    5.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424    4.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    3.8150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0673    4.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0673    5.9150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    6.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3988    4.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2217    5.2150    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
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (489)
7000

>  <Formula> (489)
C22H31ClN6O

>  <MolWeight> (489)
430.97414

>  <Cat> (489)
S8722

>  <Name> (489)
Samuraciclib hydrochloride (ICEC0942 hydrochloride)

>  <Synonyms> (489)
CT7001 hydrochloride

>  <Target> (489)
Apoptosis related,CDK

>  <Form> (489)
Hydrochloride

>  <CAS> (489)
1805789-54-1

>  <URL> (489)
http://www.selleckchem.com/products/icec0942-hydrochloride.html

$$$$

csChFnd80/06012611192D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (490)
7007

>  <Formula> (490)
C20H16Cl2F3N3O4S

>  <MolWeight> (490)
522.3249496

>  <Cat> (490)
S8834

>  <Name> (490)
GB1107

>  <Synonyms> (490)
N/A

>  <Target> (490)
Galectin

>  <Form> (490)
Free base

>  <CAS> (490)
1978336-61-6

>  <URL> (490)
http://www.selleckchem.com/products/gb1107.html

$$$$

csChFnd80/06012611192D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 22  9  1  1  0  0  0
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 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
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M  END
>  <Mol_ID> (491)
7008

>  <Formula> (491)
C21H23FN6O6S

>  <MolWeight> (491)
506.5073232

>  <Cat> (491)
S8849

>  <Name> (491)
TAS4464

>  <Synonyms> (491)
N/A

>  <Target> (491)
E1 Activating

>  <Form> (491)
Free base

>  <CAS> (491)
1848959-10-3

>  <URL> (491)
http://www.selleckchem.com/products/tas4464.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (492)
7022

>  <Formula> (492)
C32H47FN6O4S

>  <MolWeight> (492)
630.8167832

>  <Cat> (492)
S8934

>  <Name> (492)
VTP50469

>  <Synonyms> (492)
N/A

>  <Target> (492)
Histone Methyltransferase,MLL

>  <Form> (492)
Free base

>  <CAS> (492)
2169916-18-9

>  <URL> (492)
http://www.selleckchem.com/products/vtp50469.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (493)
7023

>  <Formula> (493)
C27H30F3N9O

>  <MolWeight> (493)
553.5820096

>  <Cat> (493)
S8935

>  <Name> (493)
BAY-985

>  <Synonyms> (493)
N/A

>  <Target> (493)
I¦ÊB/IKK,TBK1

>  <Form> (493)
Free base

>  <CAS> (493)
2409479-29-2

>  <URL> (493)
http://www.selleckchem.com/products/bay-985.html

$$$$

csChFnd80/06012611192D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (494)
7051

>  <Formula> (494)
C22H21F4N5O3

>  <MolWeight> (494)
479.4274528

>  <Cat> (494)
S9825

>  <Name> (494)
Pirtobrutinib (LOXO-305)

>  <Synonyms> (494)
LY 3527727, RXC-005

>  <Target> (494)
BTK

>  <Form> (494)
Free base

>  <CAS> (494)
2101700-15-4

>  <URL> (494)
http://www.selleckchem.com/products/pirtobrutinib-loxo-305.html

$$$$

csChFnd80/06012611192D

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 15 21  1  6  0  0  0
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 17 20  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (495)
7071

>  <Formula> (495)
C20H22ClFN6O2

>  <MolWeight> (495)
432.8790832

>  <Cat> (495)
E0121

>  <Name> (495)
Parsaclisib (INCB050465)

>  <Synonyms> (495)
INCB-50465, IBI376

>  <Target> (495)
PI3K

>  <Form> (495)
Free base

>  <CAS> (495)
1426698-88-5

>  <URL> (495)
http://www.selleckchem.com/products/parsaclisib-incb050465.html

$$$$

csChFnd80/06012611192D

 33 36  0  0  0  0  0  0  0  0999 V2000
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7081

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1005334-57-5

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PRMT

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Free base

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2080306-20-1

>  <URL> (497)
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2763602-67-9

>  <URL> (498)
http://www.selleckchem.com/products/tgfbetari-in-3.html

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1962178-27-3

>  <URL> (499)
http://www.selleckchem.com/products/pf-04802367.html

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>  <Cat> (500)
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>  <Target> (500)
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>  <CAS> (500)
635323-95-4

>  <URL> (500)
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$$$$

csChFnd80/06012611192D

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7191

>  <Formula> (501)
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>  <MolWeight> (501)
418.3626728

>  <Cat> (501)
E1086

>  <Name> (501)
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>  <Target> (501)
HDAC

>  <Form> (501)
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>  <CAS> (501)
2490284-18-7

>  <URL> (501)
https://www.selleckchem.com/products/kt-531.html

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M  END
>  <Mol_ID> (502)
7218

>  <Formula> (502)
C79H131N31O24S4

>  <MolWeight> (502)
2027.33874

>  <Cat> (502)
P1234

>  <Name> (502)
Apamin

>  <Target> (502)
Potassium Channel,TGF-beta/Smad

>  <Form> (502)
Free base

>  <CAS> (502)
24345-16-2

>  <URL> (502)
https://www.selleckchem.com/products/apamin.html

$$$$

csChFnd80/06012611192D

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M  END
>  <Mol_ID> (503)
7248

>  <Formula> (503)
C12H6ClFN4O3

>  <MolWeight> (503)
308.6524432

>  <Cat> (503)
E1618

>  <Name> (503)
TC-S 7009

>  <Target> (503)
HIF

>  <Form> (503)
free base

>  <CAS> (503)
1422955-31-4

>  <URL> (503)
https://www.selleckchem.com/products/tc-s-7009.html

$$$$

csChFnd80/06012611192D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (504)
7285

>  <Formula> (504)
C12H16N4O2

>  <MolWeight> (504)
248.28104

>  <Cat> (504)
E4031

>  <Name> (504)
8-Cyclopentyl-1,3-dimethylxanthine

>  <Target> (504)
Adenosine Receptor

>  <Form> (504)
free base

>  <CAS> (504)
35873-49-5

>  <URL> (504)
https://www.selleckchem.com/products/8-cyclopentyl-1-3-dimethylxanthine.html

$$$$

csChFnd80/06012611192D

 29 30  0  0  0  0  0  0  0  0999 V2000
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 23  4  1  1  0  0  0
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 28  5  1  6  0  0  0
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M  END
>  <Mol_ID> (505)
7323

>  <Formula> (505)
C21H33Cl3N4O

>  <MolWeight> (505)
463.87192

>  <Cat> (505)
S7236

>  <Name> (505)
Cariprazine hydrochloride

>  <Synonyms> (505)
RGH188 hydrochloride

>  <Target> (505)
Dopamine Receptor

>  <Form> (505)
hydrochloride

>  <CAS> (505)
1083076-69-0

>  <URL> (505)
https://www.selleckchem.com/products/cariprazine-rgh-188.html

$$$$
CCT137690.cdx
csChFnd80/06012611192D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (509)
7437

>  <Formula> (509)
C32H37N5O3

>  <MolWeight> (509)
539.66788

>  <Cat> (509)
S7004

>  <Name> (509)
EPZ005687

>  <Synonyms> (509)
N/A

>  <Target> (509)
EZH1/2,Histone Methyltransferase

>  <Form> (509)
Free Base

>  <CAS> (509)
1396772-26-1

>  <URL> (509)
http://selleckchem.com/products/epz005687.html

$$$$
XL388.cdx
csChFnd80/06012611192D

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>  <Mol_ID> (510)
7441

>  <Formula> (510)
C23H22FN3O4S

>  <MolWeight> (510)
455.5018832

>  <Cat> (510)
S7035

>  <Name> (510)
XL388

>  <Synonyms> (510)
N/A

>  <Target> (510)
mTOR

>  <Form> (510)
free base

>  <CAS> (510)
1251156-08-7

>  <URL> (510)
http://selleckchem.com/products/xl388.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (511)
7448

>  <Formula> (511)
C34H44N4O4

>  <MolWeight> (511)
572.73756

>  <Cat> (511)
S7128

>  <Name> (511)
Tazemetostat (EPZ-6438)

>  <Synonyms> (511)
E7438

>  <Target> (511)
EZH1/2,Histone Methyltransferase

>  <Form> (511)
free base

>  <CAS> (511)
1403254-99-8

>  <URL> (511)
http://selleckchem.com/products/epz-6438.html

$$$$
LDN193189 HCl.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (512)
7451

>  <Formula> (512)
C25H23ClN6

>  <MolWeight> (512)
442.94332

>  <Cat> (512)
S7507

>  <Name> (512)
LDN-193189 2HCl

>  <Synonyms> (512)
DM-3189 2HCl

>  <Target> (512)
TGF-beta/Smad

>  <Form> (512)
Hydrochloride

>  <CAS> (512)
1435934-00-1

>  <URL> (512)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
ISRIB (trans-isomer).cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (513)
7452

>  <Formula> (513)
C22H24Cl2N2O4

>  <MolWeight> (513)
451.34296

>  <Cat> (513)
S7400

>  <Name> (513)
ISRIB (trans-isomer)

>  <Synonyms> (513)
N/A

>  <Target> (513)
PERK

>  <Form> (513)
Free Base

>  <CAS> (513)
1597403-47-8

>  <URL> (513)
http://selleckchem.com/products/isrib-trans-isomer.html

$$$$
GSK126.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (514)
7469

>  <Formula> (514)
C31H38N6O2

>  <MolWeight> (514)
526.67242

>  <Cat> (514)
S7061

>  <Name> (514)
GSK126

>  <Synonyms> (514)
GSK2816126A, GSK2816126

>  <Target> (514)
EZH1/2,Histone Methyltransferase

>  <Form> (514)
Free Base

>  <CAS> (514)
1346574-57-9

>  <URL> (514)
http://selleckchem.com/products/gsk126.html

$$$$
MCC950.cdx
csChFnd80/06012611192D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (515)
7477

>  <Formula> (515)
C20H23N2NaO5S

>  <MolWeight> (515)
426.46179

>  <Cat> (515)
S7809

>  <Name> (515)
MCC950 Sodium (CP-456773 Sodium)

>  <Synonyms> (515)
CRID3 sodium salt

>  <Target> (515)
NLRP3

>  <Form> (515)
Sodium

>  <CAS> (515)
256373-96-3

>  <URL> (515)
http://selleckchem.com/products/mcc950-sodium-salt.html

$$$$

csChFnd80/06012611192D

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 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
 20 23  1  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
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  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
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <Mol_ID> (516)
7833

>  <Formula> (516)
C27H25F3N8O

>  <MolWeight> (516)
534.5356096

>  <Cat> (516)
E1214

>  <Name> (516)
KSQ-4279

>  <Synonyms> (516)
USP1-IN-1

>  <Target> (516)
DUB

>  <Form> (516)
free base

>  <CAS> (516)
2446480-97-1

>  <URL> (516)
https://www.selleckchem.com/products/ksq-4279.html

$$$$

csChFnd80/06012611192D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.4000    6.2497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9284    6.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    8.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4369    6.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5695    8.3836    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5002    9.8871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4002    8.6746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7158    6.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    9.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    5.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9642    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 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3 18  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  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> (517)
7839

>  <Formula> (517)
C17H20ClN3O2S

>  <MolWeight> (517)
365.8776

>  <Cat> (517)
E1221

>  <Name> (517)
CIA1

>  <Synonyms> (517)
COUP-TFII inhibitor A1

>  <Target> (517)
Others

>  <Form> (517)
Chloride

>  <CAS> (517)
1049691-47-5

>  <URL> (517)
https://www.selleckchem.com/products/cia1.html

$$$$

csChFnd80/06012611192D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.4635    1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    6.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2538    6.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4537    4.2000    0.0000 O   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
    4.8497    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    2.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.4000    0.0000 C   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
    0.0000    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8537    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    3.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8999    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    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2538    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9537    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9537    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3537    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3537    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0537    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
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.2000    0.0000 C   0  0  0  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
    1.2123    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3 24  2  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  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
 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
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  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
M  END
>  <Mol_ID> (518)
7849

>  <Formula> (518)
C20H14F3N3O7S

>  <MolWeight> (518)
497.4012696

>  <Cat> (518)
E1300

>  <Name> (518)
SJ6986

>  <Target> (518)
E3 Ligase

>  <Form> (518)
free base

>  <CAS> (518)
2765625-93-0

>  <URL> (518)
https://www.selleckchem.com/products/sj6986.html

$$$$

csChFnd80/06012611192D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.7786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1159    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7159    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    5.9249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5159    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4117    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    1.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    5.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    7.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    7.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  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
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  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> (519)
7868

>  <Formula> (519)
C15H15N5O2S

>  <MolWeight> (519)
329.3769

>  <Cat> (519)
E1346

>  <Name> (519)
HS94

>  <Synonyms> (519)
DAPK3 inhibitor HS94

>  <Target> (519)
DAPK

>  <Form> (519)
free base

>  <CAS> (519)
1892594-93-2

>  <URL> (519)
https://www.selleckchem.com/products/hs94.html

$$$$

csChFnd80/06012611192D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9000    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5871    5.1602    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660    4.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9986    5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8524    6.8060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2776    4.8442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9965    6.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9334    7.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1230    4.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4545    4.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1230    2.5046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4545    2.9372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6904    6.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    7.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3209    6.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1945    8.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8883    7.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8252    8.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4248    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
    2.1000    3.6372    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
    0.7000    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  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
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (520)
7886

>  <Formula> (520)
C20H22N4O2S

>  <MolWeight> (520)
382.47928

>  <Cat> (520)
E1421

>  <Name> (520)
A2ti-1

>  <Target> (520)
Anti-infection

>  <Form> (520)
free base

>  <CAS> (520)
570390-00-0

>  <URL> (520)
https://www.selleckchem.com/products/a2ti-1.html

$$$$

csChFnd80/06012611192D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.2539    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3539    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    3.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 N   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
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1001    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
    9.6995    4.9000    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
   11.0309    6.7326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (521)
7912

>  <Formula> (521)
C22H24N4O3S

>  <MolWeight> (521)
424.51596

>  <Cat> (521)
E2367

>  <Name> (521)
PK68

>  <Target> (521)
RIPK1

>  <Form> (521)
free base

>  <CAS> (521)
2173556-69-7

>  <URL> (521)
https://www.selleckchem.com/products/pk68.html

$$$$

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M  END
>  <Mol_ID> (522)
8037

>  <Formula> (522)
C28H36O4

>  <MolWeight> (522)
436.58304

>  <Cat> (522)
S2833

>  <Name> (522)
UVI 3003

>  <Target> (522)
Retinoid Receptor

>  <Form> (522)
free base

>  <CAS> (522)
847239-17-2

>  <URL> (522)
https://www.selleckchem.com/products/uvi-3003.html

$$$$

csChFnd80/06012611192D

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>  <Mol_ID> (523)
8038

>  <Formula> (523)
C15H13N3O3

>  <MolWeight> (523)
283.28202

>  <Cat> (523)
S2949

>  <Name> (523)
KPLH1130

>  <Target> (523)
Carbohydrate Metabolism

>  <Form> (523)
free base

>  <CAS> (523)
906669-07-6

>  <URL> (523)
https://www.selleckchem.com/products/kplh1130.html

$$$$
SCH 900776.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (524)
8077

>  <Formula> (524)
C15H18BrN7

>  <MolWeight> (524)
376.25432

>  <Cat> (524)
S2735

>  <Name> (524)
MK-8776 (SCH 900776)

>  <Synonyms> (524)
N/A

>  <Target> (524)
CDK,Chk

>  <Form> (524)
Free Base

>  <CAS> (524)
891494-63-6

>  <URL> (524)
http://selleckchem.com/products/sch-900776.html

$$$$
S4586 4-Chloro-DL-phenylalanine.cdx
csChFnd80/06012611192D

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M  END
>  <Mol_ID> (525)
8084

>  <Formula> (525)
C9H10ClNO2

>  <MolWeight> (525)
199.6342

>  <Cat> (525)
S4586

>  <Name> (525)
4-Chloro-DL-phenylalanine

>  <Synonyms> (525)
Fenclonine, PCPA, CP-10188

>  <Target> (525)
Hydroxylase

>  <Form> (525)
Free Base

>  <CAS> (525)
7424-00-2

>  <URL> (525)
http://selleckchem.com/products/4-chloro-dl-phenylalanine.html

$$$$
INCB28060.cdx
csChFnd80/06012611192D

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   16.6633    3.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1615    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7788    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5150    2.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6339    4.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3994    4.5211    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
    3.6373    6.3000    0.0000 F   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
 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
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  2  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 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
 20 29  1  0  0  0  0
 24 29  1  0  0  0  0
 19 26  1  0  0  0  0
 18 19  1  0  0  0  0
  5 15  1  0  0  0  0
  9 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
>  <Mol_ID> (526)
8088

>  <Formula> (526)
C23H17FN6O

>  <MolWeight> (526)
412.4190832

>  <Cat> (526)
S2788

>  <Name> (526)
Capmatinib (INCB28060)

>  <Synonyms> (526)
INC280, NVP-INC280

>  <Target> (526)
Apoptosis related,c-Met,Wnt/beta-catenin

>  <Form> (526)
Free Base

>  <CAS> (526)
1029712-80-8

>  <URL> (526)
http://selleckchem.com/products/incb28060.html

$$$$
Torin 1.cdx
csChFnd80/06012611192D

 45 51  0  0  0  0  0  0  0  0999 V2000
    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
   12.1244    2.8000    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    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
    8.4871    0.7000    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    2.8000    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
    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
   10.9119    6.3000    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
    4.8497    4.2000    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
    2.4249    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
    0.0000    2.8000    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
    1.2124    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
    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
    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
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    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  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
  1 10  1  0  0  0  0
  5 10  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
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  2 15  2  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
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 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 16 25  1  0  0  0  0
 20 25  1  0  0  0  0
 12 18  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
 26 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 28 32  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 41  1  0  0  0  0
 36 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  2  0  0  0  0
 39 42  1  0  0  0  0
 29 36  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
>  <Mol_ID> (527)
8092

>  <Formula> (527)
C35H28F3N5O2

>  <MolWeight> (527)
607.6243296

>  <Cat> (527)
S2827

>  <Name> (527)
Torin 1

>  <Synonyms> (527)
N/A

>  <Target> (527)
Autophagy,mTOR

>  <Form> (527)
Free Base

>  <CAS> (527)
1222998-36-8

>  <URL> (527)
http://selleckchem.com/products/torin-1.html

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/06012611192D

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.1765    7.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8962    8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3030    8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0142    7.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2978    6.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8697    6.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0801    8.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3991    7.9946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270    9.8408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0931    6.6641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4052    7.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4842    6.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5655    5.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4759    4.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3004    4.9828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7099    6.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0099    7.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7063    8.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880    8.7338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7765    7.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0895    6.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9768    4.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7021    3.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759    2.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9181    5.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4759    2.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7175    2.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7194    0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5270    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3372    0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3394    2.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9299    2.7735    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0868    3.4124    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
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  4  7  1  0  0  0  0
 11 12  1  0  0  0  0
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  4 10  1  0  0  0  0
 13 14  2  0  0  0  0
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 17 18  2  0  0  0  0
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 13 21  1  0  0  0  0
 16 21  2  0  0  0  0
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 15 22  1  0  0  0  0
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 14 29  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
>  <Mol_ID> (528)
8132

>  <Formula> (528)
C25H26Cl3N7O

>  <MolWeight> (528)
546.87924

>  <Cat> (528)
S8012

>  <Name> (528)
Otenabant (CP-945598) HCl

>  <Synonyms> (528)
Otenabant

>  <Target> (528)
Cannabinoid Receptor

>  <Form> (528)
Hydrochloride

>  <CAS> (528)
686347-12-6

>  <URL> (528)
http://selleckchem.com/products/cp-945598-hcl.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/06012611192D

  7  4  0  0  0  0  0  0  0  0999 V2000
    3.8538    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538    2.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2605    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4639    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3582    1.3983    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9582    1.3983    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
  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (529)
8135

>  <Formula> (529)
FNa2O3P

>  <MolWeight> (529)
143.9499042

>  <Cat> (529)
S4013

>  <Name> (529)
Sodium Monofluorophosphate

>  <Synonyms> (529)
NSC248

>  <Target> (529)
phosphatase

>  <Form> (529)
Disodium salt

>  <CAS> (529)
10163-15-2

>  <URL> (529)
http://selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
NVP-TAE684.cdx
csChFnd80/06012611192D

 42 46  0  0  0  0  0  0  0  0999 V2000
    8.4878   11.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4894   10.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7027    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143   10.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127   11.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7043    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4926    7.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4942    6.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9191    6.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    7.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4974    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9239    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9223    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6979   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4831   16.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698   16.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582   16.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598   14.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730   13.9972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8481   13.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
  6 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
 26 29  1  0  0  0  0
 27 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
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (530)
8142

>  <Formula> (530)
C30H40ClN7O3S

>  <MolWeight> (530)
614.2017

>  <Cat> (530)
S1108

>  <Name> (530)
TAE684 (NVP-TAE684)

>  <Synonyms> (530)
N/A

>  <Target> (530)
ALK,Apoptosis related

>  <Form> (530)
Free Base

>  <CAS> (530)
761439-42-3

>  <URL> (530)
http://selleckchem.com/products/NVP-TAE684.html

$$$$
SGX-523 .cdx
csChFnd80/06012611192D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    0.0000    6.1579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    8.9555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7624    3.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
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 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
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (531)
8143

>  <Formula> (531)
C18H13N7S

>  <MolWeight> (531)
359.40772

>  <Cat> (531)
S1112

>  <Name> (531)
SGX-523

>  <Synonyms> (531)
N/A

>  <Target> (531)
c-Met

>  <Form> (531)
free base

>  <CAS> (531)
1022150-57-7

>  <URL> (531)
http://selleckchem.com/products/SGX-523.html

$$$$
s1023.cdx
csChFnd80/06012611192D

 30 31  0  0  0  0  0  0  0  0999 V2000
    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
    8.4870    4.9000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   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
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    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0409    5.5720    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  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 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
  2 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
 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> (532)
8145

>  <Formula> (532)
C22H24ClN3O4

>  <MolWeight> (532)
429.89666

>  <Cat> (532)
S1023

>  <Name> (532)
Erlotinib (OSI-774) HCl

>  <Synonyms> (532)
CP358774, NSC 718781,OSI-774 HCl

>  <Target> (532)
Autophagy,EGFR

>  <Form> (532)
Hydrochloride

>  <CAS> (532)
183319-69-9

>  <URL> (532)
http://selleckchem.com/products/Erlotinib-Hydrochloride.html

$$$$
(-)-Huperzine A.cdx
csChFnd80/06012611192D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    4.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014    4.9854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6513    2.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    6.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    6.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    5.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637    2.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    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
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  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
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
  3 13  1  6  0  0  0
  5 14  1  1  0  0  0
  8 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
 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (533)
8180

>  <Formula> (533)
C15H18N2O

>  <MolWeight> (533)
242.31622

>  <Cat> (533)
S2251

>  <Name> (533)
(-)-Huperzine A (HupA)

>  <Synonyms> (533)
N/A

>  <Target> (533)
AChR,GluR

>  <Form> (533)
Free Base

>  <CAS> (533)
102518-79-6

>  <URL> (533)
http://selleckchem.com/products/(-)-Huperzine-A.html

$$$$
ly404039.cdx
csChFnd80/06012611192D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3124    3.5473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3124    2.1473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6439    1.7146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4668    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    3.9799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2816    5.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6339    4.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    0.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9862    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    0.7473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4000    4.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  2 12  1  1  0  0  0
  1 13  1  1  0  0  0
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 14  2  1  0  0  0  0
 14 15  1  1  0  0  0
 14 18  1  6  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (534)
8188

>  <Formula> (534)
C7H9NO6S

>  <MolWeight> (534)
235.21446

>  <Cat> (534)
S6001

>  <Name> (534)
pomaglumetad (LY404039)

>  <Synonyms> (534)
N/A

>  <Target> (534)
GluR

>  <Form> (534)
Free Base

>  <CAS> (534)
635318-11-5

>  <URL> (534)
http://selleckchem.com/products/LY2140023(LY404039).html

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/06012611192D

 14 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497    3.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    5.4918    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7043    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0256    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    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
  1  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
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (535)
8196

>  <Formula> (535)
C6H15ClF2N2O3

>  <MolWeight> (535)
236.6447064

>  <Cat> (535)
S4582

>  <Name> (535)
Eflornithine (MDL-71782) hydrochloride hydrate

>  <Synonyms> (535)
Difluoromethylornithine hydrochloride hydrate, DFMO hydrochloride hydrate, RMI-71782 hydrochloride hydrate, ¦Á-difluoromethylornithine hydrochloride hydrate

>  <Target> (535)
Decarboxylase

>  <Form> (535)
hydrochloride hydrate

>  <CAS> (535)
96020-91-6

>  <URL> (535)
http://selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

$$$$
bpV (HOpic).cdx
csChFnd80/06012611192D

 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
   18.0805    2.4523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.2576    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    4.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5740    1.2170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2973    0.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.8603    0.0561    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.6374    1.5568    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.5711    0.8351    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7687    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    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
  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
  2 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (536)
8276

>  <Formula> (536)
C6H4K2NO8V

>  <MolWeight> (536)
347.23596

>  <Cat> (536)
S8651

>  <Name> (536)
bpV (HOpic)

>  <Synonyms> (536)
Bisperoxovanadium (HOpic)

>  <Target> (536)
PTEN

>  <Form> (536)
potassium

>  <CAS> (536)
722494-26-0

>  <URL> (536)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/06012611192D

 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
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
 10 11  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
  8 12  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37  8  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (537)
8311

>  <Formula> (537)
C30H34N8O3

>  <MolWeight> (537)
554.64276

>  <Cat> (537)
S8724

>  <Name> (537)
Lazertinib

>  <Synonyms> (537)
YH25448,GNS-1480

>  <Target> (537)
EGFR

>  <Form> (537)
free base

>  <CAS> (537)
1903008-80-9

>  <URL> (537)
http://selleckchem.com/products/lazertinib-yh25448-gns-1480.html

$$$$

csChFnd80/06012611192D

 37 42  0  0  0  0  0  0  0  0999 V2000
    5.6055    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179    3.9273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2428    3.9273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4552    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4552    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2428    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5339    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4956    3.6906    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7110    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7130    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9212    3.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973    3.9298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405    4.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    4.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0912    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5019    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8983    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
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  9 10  1  0  0  0  0
 10  5  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
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 10 18  2  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 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
 26 29  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 30  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (538)
8411

>  <Formula> (538)
C27H27N7O2S

>  <MolWeight> (538)
513.61398

>  <Cat> (538)
S2684

>  <Name> (538)
Pidnarulex (CX-5461)

>  <Synonyms> (538)
N/A

>  <Target> (538)
DNA/RNA Synthesis

>  <Form> (538)
Free Base

>  <CAS> (538)
1138549-36-6

>  <URL> (538)
http://www.selleck.cn/products/cx-5461.html

$$$$

csChFnd80/06012611192D

 40 44  0  0  0  0  0  0  0  0999 V2000
    3.1335    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3459    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8020    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3694    8.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9833    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0454    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  5 13  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 13 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 13  1  0  0  0  0
 30 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 39  1  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (539)
8419

>  <Formula> (539)
C31H39N7O2

>  <MolWeight> (539)
541.68706

>  <Cat> (539)
S7164

>  <Name> (539)
GSK343

>  <Synonyms> (539)
N/A

>  <Target> (539)
Autophagy,EZH1/2,Histone Methyltransferase

>  <Form> (539)
Free Base

>  <CAS> (539)
1346704-33-3

>  <URL> (539)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/06012611192D

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.7666    6.4627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0706    1.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3784    4.3191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5290    4.3773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    3.6920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1577    3.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3952    5.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9537    4.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1913    6.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9706    5.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4431    2.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8430    2.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7951    5.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9493    2.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  2  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  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  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (540)
9658

>  <Formula> (540)
C22H27N5O2

>  <MolWeight> (540)
393.48208

>  <Cat> (540)
S6642

>  <Name> (540)
Branaplam (LMI070)

>  <Synonyms> (540)
N/A

>  <Target> (540)
SMN

>  <Form> (540)
Free Base

>  <CAS> (540)
1562338-42-4

>  <URL> (540)
http://www.selleck.cn/products/branaplam-lmi070.html

$$$$

csChFnd80/06012611192D

 38 35  0  0  0  0  0  0  0  0999 V2000
   10.0792    4.2151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3029    4.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8838    4.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2294    2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4814    4.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7421    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1727    0.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2378    8.5890    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    9.6655    8.4757    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   12.7759    7.2973    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  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
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 10 17  2  0  0  0  0
 11 17  1  0  0  0  0
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 27 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (541)
9787

>  <Formula> (541)
C22H20K4N2O10

>  <MolWeight> (541)
628.7948

>  <Cat> (541)
E2691

>  <Name> (541)
BAPTA tetrapotassium salt

>  <Synonyms> (541)
BAPTA tetrapotassium

>  <Target> (541)
Calcium Channel

>  <Form> (541)
tetrapotassium salt

>  <CAS> (541)
73630-08-7

>  <URL> (541)
http://www.selleckchem.com/products/bapta-tetrapotassium-salt-e2691.html

$$$$

csChFnd80/06012611192D

 42 48  0  0  0  0  0  0  0  0999 V2000
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 10 33  2  0  0  0  0
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 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (542)
9825

>  <Formula> (542)
C32H36N8O2

>  <MolWeight> (542)
564.68064

>  <Cat> (542)
S3570

>  <Name> (542)
ARRY-382

>  <Synonyms> (542)
N/A

>  <Target> (542)
CSF-1R

>  <Form> (542)
Free base

>  <CAS> (542)
1313407-95-2

>  <URL> (542)
http://www.selleckchem.com/products/arry-382.html

$$$$

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