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 56 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C42H45ClN6O5S2

>  <MolWeight> (1)
813.4269

>  <Cat> (1)
S1002

>  <Name> (1)
ABT-737

>  <Synonyms> (1)
N/A

>  <Target> (1)
Apoptosis related,Autophagy,Bcl-2,Mitophagy

>  <Form> (1)
free base

>  <CAS> (1)
852808-04-9

>  <URL> (1)
http://selleckchem.com/products/ABT-737.html

$$$$
untitled.cdx
csChFnd80/06282413142D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
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  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
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 20 15  1  0  0  0  0
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 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (2)
4

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

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

>  <Synonyms> (2)
AG 013736

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

>  <Form> (2)
free base

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

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

$$$$
untitled.cdx
csChFnd80/06282413142D

 28 29  0  0  0  0  0  0  0  0999 V2000
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   10.9204    4.2000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328    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
  7  8  1  0  0  0  0
  7  9  2  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
 11 13  2  0  0  0  0
 10 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (3)
8

>  <Formula> (3)
C19H25BN4O4

>  <MolWeight> (3)
384.2372

>  <Cat> (3)
S1013

>  <Name> (3)
Bortezomib (PS-341)

>  <Synonyms> (3)
Velcade, LDP-341, MLM341, NSC 681239,PS-341

>  <Target> (3)
Autophagy,Cathepsin B,Cysteine Protease,ERK,NF-¦ÊB,Proteasome

>  <Form> (3)
Free Base

>  <CAS> (3)
179324-69-7

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

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/06282413142D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    8.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  3  0  0  0  0
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 14 15  1  0  0  0  0
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 13 14  1  0  0  0  0
 17 18  1  0  0  0  0
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 16 17  1  0  0  0  0
  8 13  1  0  0  0  0
 24 25  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 33 34  1  0  0  0  0
 31 33  1  0  0  0  0
 30 35  1  0  0  0  0
 28 36  1  0  0  0  0
 26 27  1  0  0  0  0
  4 26  1  0  0  0  0
M  END
>  <Mol_ID> (4)
9

>  <Formula> (4)
C26H29Cl2N5O3

>  <MolWeight> (4)
530.44616

>  <Cat> (4)
S1014

>  <Name> (4)
Bosutinib (SKI-606)

>  <Synonyms> (4)
SKI-606

>  <Target> (4)
Autophagy,Bcr-Abl,ERK,S6 Kinase,Src,STAT

>  <Form> (4)
free base

>  <CAS> (4)
380843-75-4

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

$$$$
Dasatinib.cdx
csChFnd80/06282413142D

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    8.5748    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7872    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9996    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9996    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2079    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 17 18  1  0  0  0  0
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 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (5)
12

>  <Formula> (5)
C22H26ClN7O2S

>  <MolWeight> (5)
488.00554

>  <Cat> (5)
S1021

>  <Name> (5)
Dasatinib (BMS-354825)

>  <Synonyms> (5)
BMS-354825

>  <Target> (5)
Apoptosis related,Autophagy,Bcr-Abl,c-Kit,Src

>  <Form> (5)
free base

>  <CAS> (5)
302962-49-8

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

$$$$
untitled.cdx
csChFnd80/06282413142D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   12.1033    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.7951    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
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  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
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 17 12  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (6)
15

>  <Formula> (6)
C22H24ClFN4O3

>  <MolWeight> (6)
446.9023632

>  <Cat> (6)
S1025

>  <Name> (6)
Gefitinib (ZD1839)

>  <Synonyms> (6)
Iressa,ZD1839

>  <Target> (6)
Apoptosis related,Autophagy,EGFR

>  <Form> (6)
free base

>  <CAS> (6)
184475-35-2

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

$$$$
untitled.cdx
csChFnd80/06282413142D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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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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 11 16  2  0  0  0  0
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  9 18  2  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (7)
18

>  <Formula> (7)
C13H13N3O3

>  <MolWeight> (7)
259.26062

>  <Cat> (7)
S1029

>  <Name> (7)
Lenalidomide (CC-5013)

>  <Synonyms> (7)
CC-5013

>  <Target> (7)
Apoptosis related,Caspase,E3 Ligase ,E3 ligase Ligand,TNF-alpha,VEGFR

>  <Form> (7)
free base

>  <CAS> (7)
191732-72-6

>  <URL> (7)
https://www.selleckchem.com/products/lenalidomide-s1029.html

$$$$
untitled.cdx
csChFnd80/06282413142D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (8)
21

>  <Formula> (8)
C28H22F3N7O

>  <MolWeight> (8)
529.5157896

>  <Cat> (8)
S1033

>  <Name> (8)
Nilotinib (AMN-107)

>  <Synonyms> (8)
AMN-107

>  <Target> (8)
AMPK,Autophagy,Bcr-Abl

>  <Form> (8)
free base

>  <CAS> (8)
641571-10-0

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

$$$$
RAPAMYCIN.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (9)
27

>  <Formula> (9)
C51H79NO13

>  <MolWeight> (9)
914.17186

>  <Cat> (9)
S1039

>  <Name> (9)
Rapamycin (AY-22989)

>  <Synonyms> (9)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (9)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (9)
free base

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

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

$$$$
1.cdx
csChFnd80/06282413142D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (10)
37

>  <Formula> (10)
C21H23N3O4S

>  <MolWeight> (10)
413.49002

>  <Cat> (10)
S1057

>  <Name> (10)
Obatoclax Mesylate (GX15-070)

>  <Synonyms> (10)
N/A

>  <Target> (10)
Autophagy,Bcl-2

>  <Form> (10)
Mesylate

>  <CAS> (10)
803712-79-0

>  <URL> (10)
http://selleckchem.com/products/Obatoclax-Mesylate.html

$$$$
AZD2281.cdx
csChFnd80/06282413142D

 32 36  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> (11)
38

>  <Formula> (11)
C24H23FN4O3

>  <MolWeight> (11)
434.4628232

>  <Cat> (11)
S1060

>  <Name> (11)
Olaparib (AZD2281)

>  <Synonyms> (11)
Ku-0059436

>  <Target> (11)
Autophagy,Mitophagy,PARP

>  <Form> (11)
free base

>  <CAS> (11)
763113-22-0

>  <URL> (11)
http://selleckchem.com/products/AZD2281(Olaparib).html

$$$$
nutlin-3.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (12)
39

>  <Formula> (12)
C30H30Cl2N4O4

>  <MolWeight> (12)
581.4896

>  <Cat> (12)
S1061

>  <Name> (12)
Nutlin-3

>  <Synonyms> (12)
N/A

>  <Target> (12)
E3 Ligase ,MDM2/MDMX

>  <Form> (12)
free base

>  <CAS> (12)
890090-75-2

>  <URL> (12)
http://selleckchem.com/products/Nutlin-3.html

$$$$
NVP-AUY922 .cdx
csChFnd80/06282413142D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.1170    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0170   10.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3170    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0170    7.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4170    7.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5121    9.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3194   11.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243   10.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    7.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  2  0  0  0  0
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M  END
>  <Mol_ID> (13)
43

>  <Formula> (13)
C26H31N3O5

>  <MolWeight> (13)
465.54144

>  <Cat> (13)
S1069

>  <Name> (13)
Luminespib (NVP-AUY922)

>  <Synonyms> (13)
AUY-922, VER-52296

>  <Target> (13)
Apoptosis related,Autophagy,HSP (HSP90),IGF-1R

>  <Form> (13)
free base

>  <CAS> (13)
747412-49-3

>  <URL> (13)
http://selleckchem.com/products/NVP-AUY922.html

$$$$
XL-184 free base.cdx
csChFnd80/06282413142D

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   18.1529    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1529    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  0  0  0  0
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 36 37  1  0  0  0  0
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M  END
>  <Mol_ID> (14)
80

>  <Formula> (14)
C28H24FN3O5

>  <MolWeight> (14)
501.5056632

>  <Cat> (14)
S1119

>  <Name> (14)
Cabozantinib (BMS-907351)

>  <Synonyms> (14)
XL184,BMS-907351

>  <Target> (14)
Apoptosis related,Axl,c-Met,VEGFR

>  <Form> (14)
Free Base

>  <CAS> (14)
849217-68-1

>  <URL> (14)
http://selleckchem.com/products/XL184.html

$$$$
untitled.cdx
csChFnd80/06282413142D

 42 43  0  0  0  0  0  0  0  0999 V2000
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    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
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   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
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  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  1  8  1  0  0  0  0
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 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
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 25 28  1  1  0  0  0
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 27 33  1  1  0  0  0
 32 35  2  0  0  0  0
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  3 42  2  0  0  0  0
 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (15)
83

>  <Formula> (15)
C31H43N3O8

>  <MolWeight> (15)
585.68842

>  <Cat> (15)
S1141

>  <Name> (15)
Tanespimycin (17-AAG)

>  <Synonyms> (15)
CP127374, NSC-330507, KOS 953

>  <Target> (15)
Apoptosis related,Autophagy,HSP (HSP90),Mitophagy

>  <Form> (15)
free base

>  <CAS> (15)
75747-14-7

>  <URL> (15)
http://selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
Docetaxel.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (16)
90

>  <Formula> (16)
C43H53NO14

>  <MolWeight> (16)
807.87922

>  <Cat> (16)
S1148

>  <Name> (16)
Docetaxel (RP56976)

>  <Synonyms> (16)
NSC 628503,RP56976

>  <Target> (16)
Microtubule Associated

>  <Form> (16)
Free Base

>  <CAS> (16)
114977-28-5

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

$$$$
Paclitaxel.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (17)
91

>  <Formula> (17)
C47H51NO14

>  <MolWeight> (17)
853.90614

>  <Cat> (17)
S1150

>  <Name> (17)
Paclitaxel (NSC 125973)

>  <Synonyms> (17)
PTX, Taxol, Onxal, Abraxane,NSC 125973

>  <Target> (17)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Microtubule Associated

>  <Form> (17)
free base

>  <CAS> (17)
33069-62-4

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

$$$$
abt-751.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (18)
96

>  <Formula> (18)
C18H17N3O4S

>  <MolWeight> (18)
371.41028

>  <Cat> (18)
S1165

>  <Name> (18)
ABT-751 (E7010)

>  <Synonyms> (18)
N/A

>  <Target> (18)
Microtubule Associated

>  <Form> (18)
free base

>  <CAS> (18)
141430-65-1

>  <URL> (18)
http://selleckchem.com/products/ABT-751.html

$$$$
untitled.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (19)
101

>  <Formula> (19)
C21H20N4

>  <MolWeight> (19)
328.4103

>  <Cat> (19)
S1172

>  <Name> (19)
Serdemetan (JNJ-26854165)

>  <Synonyms> (19)
N/A

>  <Target> (19)
E3 Ligase ,p53

>  <Form> (19)
free base

>  <CAS> (19)
881202-45-5

>  <URL> (19)
http://selleckchem.com/products/JNJ-26854165.html

$$$$
BIIB021 (CNF2024).cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (20)
103

>  <Formula> (20)
C14H15ClN6O

>  <MolWeight> (20)
318.7615

>  <Cat> (20)
S1175

>  <Name> (20)
BIIB021

>  <Synonyms> (20)
CNF2024

>  <Target> (20)
HSP (HSP90)

>  <Form> (20)
free base

>  <CAS> (20)
848695-25-0

>  <URL> (20)
http://selleckchem.com/products/BIIB021.html

$$$$
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M  END
>  <Mol_ID> (21)
106

>  <Formula> (21)
C21H15ClF4N4O3

>  <MolWeight> (21)
482.8154128

>  <Cat> (21)
S1178

>  <Name> (21)
Regorafenib (BAY 73-4506)

>  <Synonyms> (21)
Fluoro-Sorafenib, Resihance, Stivarga,BAY 73-4506

>  <Target> (21)
Autophagy,c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (21)
free base

>  <CAS> (21)
755037-03-7

>  <URL> (21)
http://selleckchem.com/products/BAY-73-4506.html

$$$$
Ritonavir.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (22)
111

>  <Formula> (22)
C37H48N6O5S2

>  <MolWeight> (22)
720.94422

>  <Cat> (22)
S1185

>  <Name> (22)
Ritonavir (ABT-538)

>  <Synonyms> (22)
ABT-538,A 84538, RTV, Norvir, Norvir Softgel

>  <Target> (22)
Apoptosis related,COVID-19,HIV Protease,P450 (e.g. CYP17)

>  <Form> (22)
free base

>  <CAS> (22)
155213-67-5

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

$$$$
Raltitrexed.cdx
csChFnd80/06282413142D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (23)
117

>  <Formula> (23)
C21H22N4O6S

>  <MolWeight> (23)
458.48758

>  <Cat> (23)
S1192

>  <Name> (23)
Raltitrexed

>  <Synonyms> (23)
ZD-1694, ICI-D1694, D1694

>  <Target> (23)
DNA/RNA Synthesis,Thymidylate Synthase

>  <Form> (23)
free base

>  <CAS> (23)
112887-68-0

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

$$$$
2-Methoxyestradiol.cdx
csChFnd80/06282413142D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (24)
138

>  <Formula> (24)
C19H26O3

>  <MolWeight> (24)
302.40794

>  <Cat> (24)
S1233

>  <Name> (24)
2-Methoxyestradiol (2-MeOE2)

>  <Synonyms> (24)
NSC 659853, 2-ME2

>  <Target> (24)
Apoptosis related,Autophagy,HIF,Microtubule Associated

>  <Form> (24)
free base

>  <CAS> (24)
362-07-2

>  <URL> (24)
http://selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
PLX-4032.cdx
csChFnd80/06282413142D

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    9.0288    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0953    4.8963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3935    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3302    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6996    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1323    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1955    5.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8261    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6332    2.3634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8991    1.7823    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0332    2.3634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0332    3.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0332    0.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4332    2.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1332    1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5332    1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8925    6.5178    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 21 25  1  0  0  0  0
 20 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <Mol_ID> (25)
157

>  <Formula> (25)
C23H18ClF2N3O3S

>  <MolWeight> (25)
489.9221264

>  <Cat> (25)
S1267

>  <Name> (25)
Vemurafenib (PLX4032)

>  <Synonyms> (25)
RG7204, RO5185426,PLX4032

>  <Target> (25)
Autophagy,Raf

>  <Form> (25)
free base

>  <CAS> (25)
918504-65-1

>  <URL> (25)
http://selleckchem.com/products/PLX-4032.html

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/06282413142D

 29 29  0  0  0  0  0  0  0  0999 V2000
    9.6727    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6769    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6769    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0438    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9347    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1429    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7676    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2118    4.1927    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
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (26)
168

>  <Formula> (26)
C21H27Cl3N2O3

>  <MolWeight> (26)
461.80968

>  <Cat> (26)
S1291

>  <Name> (26)
Cetirizine DiHCl

>  <Synonyms> (26)
Zyrtec, Reactine,UCB P071

>  <Target> (26)
Histamine Receptor

>  <Form> (26)
Dihydrochloride

>  <CAS> (26)
83881-52-1

>  <URL> (26)
http://selleckchem.com/products/Cetirizine-Dihydrochloride.html

$$$$
Cilnidipine.cdx
csChFnd80/06282413142D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2494    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    5.5927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8825    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7154    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 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
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (27)
169

>  <Formula> (27)
C27H28N2O7

>  <MolWeight> (27)
492.52042

>  <Cat> (27)
S1293

>  <Name> (27)
Cilnidipine (FRC-8653)

>  <Synonyms> (27)
FRC-8653

>  <Target> (27)
Calcium Channel

>  <Form> (27)
free base

>  <CAS> (27)
132203-70-4

>  <URL> (27)
http://selleckchem.com/products/Cilnidipine.html

$$$$
Nizatidine.cdx
csChFnd80/06282413142D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0614    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2607    4.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6893    5.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2921    5.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3635    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893    6.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7893    6.7948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893    9.2197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9893    9.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6893   10.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6893   12.8570    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6893    8.0073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    1.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7888    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (28)
178

>  <Formula> (28)
C12H21N5O2S2

>  <MolWeight> (28)
331.45744

>  <Cat> (28)
S1890

>  <Name> (28)
Nizatidine

>  <Synonyms> (28)
N/A

>  <Target> (28)
Histamine Receptor

>  <Form> (28)
free base

>  <CAS> (28)
76963-41-2

>  <URL> (28)
http://selleckchem.com/products/Nizatidine(Axid).html

$$$$
Epothilone A.cdx
csChFnd80/06282413142D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8241    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
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 17 13  1  0  0  0  0
  6  2  1  0  0  0  0
 10 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 23 26  1  0  0  0  0
 14 27  2  0  0  0  0
  8 28  1  6  0  0  0
 11 29  1  1  0  0  0
 12 30  1  1  0  0  0
 15 31  2  0  0  0  0
 17 32  1  6  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
>  <Mol_ID> (29)
202

>  <Formula> (29)
C26H39NO6S

>  <MolWeight> (29)
493.65596

>  <Cat> (29)
S1297

>  <Name> (29)
Epothilone A

>  <Synonyms> (29)
N/A

>  <Target> (29)
Microtubule Associated

>  <Form> (29)
free base

>  <CAS> (29)
152044-53-6

>  <URL> (29)
http://selleckchem.com/products/Epothilone-A.html

$$$$
Flupirtine maleate.cdx
csChFnd80/06282413142D

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    2.1049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9288    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8968    4.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2425    4.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5279    2.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2359    3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5882    3.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5781    2.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (30)
219

>  <Formula> (30)
C19H21FN4O6

>  <MolWeight> (30)
420.3916432

>  <Cat> (30)
S1334

>  <Name> (30)
Flupirtine maleate

>  <Synonyms> (30)
N/A

>  <Target> (30)
DNA/RNA Synthesis

>  <Form> (30)
Maleate

>  <CAS> (30)
75507-68-5

>  <URL> (30)
http://selleckchem.com/products/Flupirtine-maleate.html

$$$$
Glimepiride.cdx
csChFnd80/06282413142D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.5406    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3820    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7984    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   17.4315    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2191    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6397    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3324    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0402    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7749    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    5.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2372    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  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
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
  7 19  2  0  0  0  0
  7 20  2  0  0  0  0
  2 21  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
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 22  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 29 33  2  0  0  0  0
 23 34  2  0  0  0  0
M  END
>  <Mol_ID> (31)
223

>  <Formula> (31)
C24H34N4O5S

>  <MolWeight> (31)
490.61556

>  <Cat> (31)
S1344

>  <Name> (31)
Glimepiride

>  <Synonyms> (31)
HOE-490

>  <Target> (31)
Potassium Channel

>  <Form> (31)
free base

>  <CAS> (31)
93479-97-1

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

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/06282413142D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.0577    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    4.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    4.1854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826    4.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    8.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430   10.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701   11.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701   11.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972   10.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    8.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8956    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1808   10.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594   10.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9825    8.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0619    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6866    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
  8 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  9  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 13  1  0  0  0  0
 19 22  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (32)
227

>  <Formula> (32)
C22H23ClN2O2

>  <MolWeight> (32)
382.88322

>  <Cat> (32)
S1358

>  <Name> (32)
Loratadine (SCH29851)

>  <Synonyms> (32)
Alavert,Claritin,SCH29851

>  <Target> (32)
Histamine Receptor

>  <Form> (32)
free base

>  <CAS> (32)
79794-75-5

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

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/06282413142D

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    8.3830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8867    9.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (33)
238

>  <Formula> (33)
C37H48N4O5

>  <MolWeight> (33)
628.80082

>  <Cat> (33)
S1380

>  <Name> (33)
Lopinavir (ABT-378)

>  <Synonyms> (33)
ABT-378

>  <Target> (33)
COVID-19,HIV Protease

>  <Form> (33)
free base

>  <CAS> (33)
192725-17-0

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

$$$$
S1130.cdx
csChFnd80/06282413142D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (34)
252

>  <Formula> (34)
C20H19BrN4O3

>  <MolWeight> (34)
443.29386

>  <Cat> (34)
S1130

>  <Name> (34)
Sepantronium Bromide

>  <Synonyms> (34)
YM155

>  <Target> (34)
Autophagy,IAP,Survivin

>  <Form> (34)
Bromide

>  <CAS> (34)
781661-94-7

>  <URL> (34)
http://selleckchem.com/products/YM155.html

$$$$
Tigecycline.cdx
csChFnd80/06282413142D

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 11 33  1  0  0  0  0
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M  END
>  <Mol_ID> (35)
253

>  <Formula> (35)
C29H39N5O8

>  <MolWeight> (35)
585.64866

>  <Cat> (35)
S1403

>  <Name> (35)
Tigecycline (GAR-936)

>  <Synonyms> (35)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (35)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Bacterial

>  <Form> (35)
free base

>  <CAS> (35)
220620-09-7

>  <URL> (35)
http://selleckchem.com/products/Tigecycline.html

$$$$
AP24534.cdx
csChFnd80/06282413142D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
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 19 20  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 36 39  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
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M  END
>  <Mol_ID> (36)
304

>  <Formula> (36)
C29H27F3N6O

>  <MolWeight> (36)
532.5594896

>  <Cat> (36)
S1490

>  <Name> (36)
Ponatinib (AP24534)

>  <Synonyms> (36)
AP24534

>  <Target> (36)
Autophagy,Bcr-Abl,FGFR,PDGFR,Src,VEGFR

>  <Form> (36)
free base

>  <CAS> (36)
943319-70-8

>  <URL> (36)
http://selleckchem.com/products/AP24534.html

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/06282413142D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   10.1695    2.4595    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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  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  5  1  0  0  0  0
  6 10  1  0  0  0  0
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  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
343

>  <Formula> (37)
C13H11N3O4

>  <MolWeight> (37)
273.24414

>  <Cat> (37)
S1567

>  <Name> (37)
Pomalidomide (CC-4047)

>  <Synonyms> (37)
CC-4047

>  <Target> (37)
Apoptosis related,E3 Ligase ,E3 ligase Ligand,TNF-alpha

>  <Form> (37)
free base

>  <CAS> (37)
19171-19-8

>  <URL> (37)
http://selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
Apixaban.cdx
csChFnd80/06282413142D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.7491    7.3824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0869    3.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0079    1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7889    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818    3.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5286    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 20  2  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 32 27  1  0  0  0  0
 28 33  2  0  0  0  0
 18 34  2  0  0  0  0
M  END
>  <Mol_ID> (38)
353

>  <Formula> (38)
C25H25N5O4

>  <MolWeight> (38)
459.4971

>  <Cat> (38)
S1593

>  <Name> (38)
Apixaban (BMS 562247-01)

>  <Synonyms> (38)
BMS 562247-01

>  <Target> (38)
Factor Xa

>  <Form> (38)
free base

>  <CAS> (38)
503612-47-3

>  <URL> (38)
http://selleckchem.com/products/Apixaban(BMS-562247-01).html

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/06282413142D

 25 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 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
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    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
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9753    3.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    5.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2507    6.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607    5.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6248    4.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604    3.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    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
  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
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (39)
359

>  <Formula> (39)
C22H17ClN2

>  <MolWeight> (39)
344.83678

>  <Cat> (39)
S1606

>  <Name> (39)
Clotrimazole

>  <Synonyms> (39)
BAY b 5097, FB 5097

>  <Target> (39)
Antineoplastic and Immunosuppressive Antibiotics,Fungal

>  <Form> (39)
free base

>  <CAS> (39)
23593-75-1

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

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/06282413142D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    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
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    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  2  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
    8.4744    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6288    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.8059    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5096    5.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8610    5.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
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 14 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
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 29 19  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  1  0  0  0
 11 34  1  6  0  0  0
M  END
>  <Mol_ID> (40)
364

>  <Formula> (40)
C29H35NO2

>  <MolWeight> (40)
429.5937

>  <Cat> (40)
S2606

>  <Name> (40)
Mifepristone (RU486)

>  <Synonyms> (40)
RU486, C-1073, RU 38486, RU-486, Mifegyne

>  <Target> (40)
Apoptosis related,Autophagy,Bcl-2,Estrogen/progestogen Receptor,Glucocorticoid Receptor

>  <Form> (40)
free base

>  <CAS> (40)
84371-65-3

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

$$$$
SULLA (sulfameter).cdx
csChFnd80/06282413142D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    3.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    3.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    1.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3423    3.1182    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (41)
367

>  <Formula> (41)
C11H12N4O3S

>  <MolWeight> (41)
280.30298

>  <Cat> (41)
S1618

>  <Name> (41)
Sulfameter

>  <Synonyms> (41)
N/A

>  <Target> (41)
Bacterial

>  <Form> (41)
free base

>  <CAS> (41)
651-06-9

>  <URL> (41)
http://selleckchem.com/products/Sulfameter(Bayrena).html

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/06282413142D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.3726    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3726    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5270    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7395    3.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    3.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    1.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    3.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998    5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4366    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8060    4.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2386    5.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3019    6.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9325    6.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9989    7.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6033    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5368    5.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0344    7.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3991    7.6982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.7514    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6991    8.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0991    6.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7413    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0936    7.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4560    8.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4660    9.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1137    9.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1272   10.3993    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
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 33  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (42)
378

>  <Formula> (42)
C31H33N3O6S

>  <MolWeight> (42)
575.67522

>  <Cat> (42)
S1633

>  <Name> (42)
Zafirlukast (ICI-204219)

>  <Synonyms> (42)
ICI-204219

>  <Target> (42)
LTR

>  <Form> (42)
free base

>  <CAS> (42)
107753-78-6

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

$$$$
ALBENZA (albendazole).cdx
csChFnd80/06282413142D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 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
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (43)
380

>  <Formula> (43)
C12H15N3O2S

>  <MolWeight> (43)
265.3314

>  <Cat> (43)
S1640

>  <Name> (43)
Albendazole (SKF-62979)

>  <Synonyms> (43)
SKF-62979

>  <Target> (43)
ADC Cytotoxin,Microtubule Associated

>  <Form> (43)
free base

>  <CAS> (43)
54965-21-8

>  <URL> (43)
http://selleckchem.com/products/Albendazole(Albenza).html

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/06282413142D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    6.6595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3896    6.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500    5.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7065    6.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669    5.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1028    7.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  5 18  1  1  0  0  0
  4 19  1  1  0  0  0
  8 20  1  1  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
  2 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 23 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 17 23  1  0  0  0  0
 17 33  1  6  0  0  0
M  END
>  <Mol_ID> (44)
382

>  <Formula> (44)
C24H40O4

>  <MolWeight> (44)
392.572

>  <Cat> (44)
S1643

>  <Name> (44)
Ursodiol

>  <Synonyms> (44)
Ursodeoxycholic acid, UDCA

>  <Target> (44)
FXR

>  <Form> (44)
free base

>  <CAS> (44)
128-13-2

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

$$$$
ALTACE (ramipril).cdx
csChFnd80/06282413142D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    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
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4618    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8164    4.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1164    3.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2023    9.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5659    8.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 20  2  0  0  0  0
 16 15  1  6  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (45)
460

>  <Formula> (45)
C23H32N2O5

>  <MolWeight> (45)
416.51058

>  <Cat> (45)
S1793

>  <Name> (45)
Ramipril

>  <Synonyms> (45)
HOE-498

>  <Target> (45)
ACE,RAAS

>  <Form> (45)
free base

>  <CAS> (45)
87333-19-5

>  <URL> (45)
http://selleckchem.com/products/Ramipril(Altace).html

$$$$
Baricitinib.cdx
csChFnd80/06282413142D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  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
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
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 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
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 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (46)
468

>  <Formula> (46)
C16H17N7O2S

>  <MolWeight> (46)
371.41688

>  <Cat> (46)
S2851

>  <Name> (46)
Baricitinib (INCB028050)

>  <Synonyms> (46)
LY3009104

>  <Target> (46)
COVID-19,JAK

>  <Form> (46)
free base

>  <CAS> (46)
1187594-09-7

>  <URL> (46)
http://selleckchem.com/products/baricitinib-ly3009104.html

$$$$
CTEP.cdx
csChFnd80/06282413142D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.2656    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9656    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3657    5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0632    6.6591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8705    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4754    4.2385    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
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M  END
>  <Mol_ID> (47)
469

>  <Formula> (47)
C19H13ClF3N3O

>  <MolWeight> (47)
391.7742296

>  <Cat> (47)
S2861

>  <Name> (47)
CTEP (RO4956371)

>  <Synonyms> (47)
N/A

>  <Target> (47)
GluR

>  <Form> (47)
free base

>  <CAS> (47)
871362-31-1

>  <URL> (47)
http://selleckchem.com/products/ctep.html

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/06282413142D

 10 10  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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    1.2124    2.8000    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
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    4.1951    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
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  5  6  2  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (48)
478

>  <Formula> (48)
C6H7N3O

>  <MolWeight> (48)
137.13928

>  <Cat> (48)
S1937

>  <Name> (48)
Isoniazid

>  <Synonyms> (48)
N/A

>  <Target> (48)
Fatty Acid Synthase

>  <Form> (48)
free base

>  <CAS> (48)
54-85-3

>  <URL> (48)
http://selleckchem.com/products/Isoniazid(Tubizid).html

$$$$
Miconazole nitrate.cdx
csChFnd80/06282413142D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  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
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (49)
484

>  <Formula> (49)
C18H15Cl4N3O4

>  <MolWeight> (49)
479.1414

>  <Cat> (49)
S1956

>  <Name> (49)
Miconazole Nitrate

>  <Synonyms> (49)
NSC 169434 Nitrate

>  <Target> (49)
Fungal

>  <Form> (49)
Nitrate

>  <CAS> (49)
22832-87-7

>  <URL> (49)
http://selleckchem.com/products/Miconazole-nitrate.html

$$$$
untitled.cdx
csChFnd80/06282413142D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2788    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (50)
492

>  <Formula> (50)
C23H23ClFNO5

>  <MolWeight> (50)
447.8838232

>  <Cat> (50)
S2001

>  <Name> (50)
Elvitegravir (JTK-303)

>  <Synonyms> (50)
GS-9137,JTK-303,D06677

>  <Target> (50)
Integrase

>  <Form> (50)
free base

>  <CAS> (50)
697761-98-1

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

$$$$
untitled.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (51)
493

>  <Formula> (51)
C29H41F2N5O

>  <MolWeight> (51)
513.6655464

>  <Cat> (51)
S2003

>  <Name> (51)
Maraviroc (UK-427857)

>  <Synonyms> (51)
Celsentri,UK-427857

>  <Target> (51)
CCR,HIV

>  <Form> (51)
free base

>  <CAS> (51)
376348-65-1

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

$$$$
Raltegravir.cdx
csChFnd80/06282413142D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (52)
494

>  <Formula> (52)
C20H21FN6O5

>  <MolWeight> (52)
444.4163432

>  <Cat> (52)
S2005

>  <Name> (52)
Raltegravir (MK-0518)

>  <Synonyms> (52)
MK-0518

>  <Target> (52)
Integrase

>  <Form> (52)
free base

>  <CAS> (52)
518048-05-0

>  <URL> (52)
http://selleckchem.com/products/Raltegravir-(MK-0518).html

$$$$
AT13387.cdx
csChFnd80/06282413142D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (53)
543

>  <Formula> (53)
C24H31N3O3

>  <MolWeight> (53)
409.52124

>  <Cat> (53)
S1163

>  <Name> (53)
Onalespib (AT13387)

>  <Synonyms> (53)
N/A

>  <Target> (53)
HSP (HSP90)

>  <Form> (53)
free base

>  <CAS> (53)
912999-49-6

>  <URL> (53)
http://selleckchem.com/products/at13387.html

$$$$
Nocodazole.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (54)
575

>  <Formula> (54)
C14H11N3O3S

>  <MolWeight> (54)
301.32044

>  <Cat> (54)
S2775

>  <Name> (54)
Nocodazole (R17934)

>  <Synonyms> (54)
Oncodazole, NSC238159

>  <Target> (54)
Apoptosis related,Autophagy,Bcr-Abl,CRISPR/Cas9,Microtubule Associated

>  <Form> (54)
free base

>  <CAS> (54)
31430-18-9

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

$$$$
RITA (NSC 652287).cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (55)
580

>  <Formula> (55)
C14H12O3S2

>  <MolWeight> (55)
292.37328

>  <Cat> (55)
S2781

>  <Name> (55)
RITA (NSC 652287)

>  <Synonyms> (55)
N/A

>  <Target> (55)
E3 Ligase ,p53

>  <Form> (55)
free base

>  <CAS> (55)
213261-59-7

>  <URL> (55)
http://selleckchem.com/products/rita-nsc-652287.html

$$$$
CP-690550.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (56)
585

>  <Formula> (56)
C16H20N6O

>  <MolWeight> (56)
312.3696

>  <Cat> (56)
S2789

>  <Name> (56)
Tofacitinib (CP-690550)

>  <Synonyms> (56)
Tasocitinib

>  <Target> (56)
Apoptosis related,JAK

>  <Form> (56)
free base

>  <CAS> (56)
477600-75-2

>  <URL> (56)
http://selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
Cabazitaxel.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (57)
591

>  <Formula> (57)
C45H57NO14

>  <MolWeight> (57)
835.93238

>  <Cat> (57)
S3022

>  <Name> (57)
Cabazitaxel (XRP6258)

>  <Synonyms> (57)
RPR-116258A, TXD 258, Taxoid XRP6258

>  <Target> (57)
Autophagy,Microtubule Associated

>  <Form> (57)
free base

>  <CAS> (57)
183133-96-2

>  <URL> (57)
http://selleckchem.com/products/cabazitaxel-jevtana.html

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/06282413142D

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   10.5249   11.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9575   12.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0207   13.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513   13.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3222   12.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7533   14.2783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2557   11.9146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6203   12.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4584   10.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8231   10.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7566    9.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8555    9.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    6.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3246    3.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0513    3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084    1.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    1.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6961    6.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4137    3.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1086    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1086    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  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
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
  1 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18  7  2  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  4  1  0  0  0  0
  9 21  1  0  0  0  0
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 22 14  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 11  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  2  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 20  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 28 36  1  1  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  1  0  0  0  0
 19 40  1  6  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 42 43  1  0  0  0  0
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 51 53  1  0  0  0  0
M  END
>  <Mol_ID> (58)
604

>  <Formula> (58)
C41H42N4O8

>  <MolWeight> (58)
718.79418

>  <Cat> (58)
S1786

>  <Name> (58)
Verteporfin (CL 318952)

>  <Synonyms> (58)
CL 318952, Visudyne

>  <Target> (58)
Apoptosis related,Autophagy,TEAD,VDA,YAP

>  <Form> (58)
free base

>  <CAS> (58)
129497-78-5

>  <URL> (58)
http://selleckchem.com/products/Verteporfin(Visudyne).html

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/06282413142D

 45 50  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 O   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
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4348    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2803    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4130    3.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (59)
627

>  <Formula> (59)
C33H34N6O6

>  <MolWeight> (59)
610.65966

>  <Cat> (59)
S2037

>  <Name> (59)
Candesartan Cilexetil

>  <Synonyms> (59)
TCV-116

>  <Target> (59)
Angiotensin Receptor

>  <Form> (59)
free base

>  <CAS> (59)
145040-37-5

>  <URL> (59)
http://selleckchem.com/products/Candesartan-cilexetil-Atacand.html

$$$$
E7080.cdx
csChFnd80/06282413142D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6321    6.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    5.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    4.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106    3.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8273    4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6020    2.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (60)
635

>  <Formula> (60)
C21H19ClN4O4

>  <MolWeight> (60)
426.85296

>  <Cat> (60)
S1164

>  <Name> (60)
Lenvatinib (E7080)

>  <Synonyms> (60)
N/A

>  <Target> (60)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (60)
free base

>  <CAS> (60)
417716-92-8

>  <URL> (60)
http://selleckchem.com/products/E7080.html

$$$$
Moguisteine.cdx
csChFnd80/06282413142D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    7.6497    2.1024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3663    2.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0752    4.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156    4.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    3.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    2.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 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
M  END
>  <Mol_ID> (61)
643

>  <Formula> (61)
C16H21NO5S

>  <MolWeight> (61)
339.40664

>  <Cat> (61)
S3104

>  <Name> (61)
Moguisteine

>  <Synonyms> (61)
BBR-2173

>  <Target> (61)
Others

>  <Form> (61)
free base

>  <CAS> (61)
119637-67-1

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

$$$$
LDE225.cdx
csChFnd80/06282413142D

 35 38  0  0  0  0  0  0  0  0999 V2000
   11.1830    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8830    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2830    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9830    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2830    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8830    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3781    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0781    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4781    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1757    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7879    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8976    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.8662    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  1  0  0  0
  9 14  1  1  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  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
M  END
>  <Mol_ID> (62)
646

>  <Formula> (62)
C26H26F3N3O3

>  <MolWeight> (62)
485.4981496

>  <Cat> (62)
S2151

>  <Name> (62)
Sonidegib (NVP-LDE225)

>  <Synonyms> (62)
Erismodegib

>  <Target> (62)
Hedgehog/Smoothened

>  <Form> (62)
free base

>  <CAS> (62)
956697-53-3

>  <URL> (62)
http://selleckchem.com/products/LDE225(NVP-LDE225).html

$$$$
MLN2238.cdx
csChFnd80/06282413142D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  2  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (63)
656

>  <Formula> (63)
C14H19BCl2N2O4

>  <MolWeight> (63)
361.02866

>  <Cat> (63)
S2180

>  <Name> (63)
Ixazomib (MLN2238)

>  <Synonyms> (63)
N/A

>  <Target> (63)
Autophagy,Proteasome

>  <Form> (63)
Free Base

>  <CAS> (63)
1072833-77-2

>  <URL> (63)
http://selleckchem.com/products/MLN-2238.html

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/06282413142D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.0577    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    4.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2701    7.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
  8 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  9  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 13  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (64)
657

>  <Formula> (64)
C19H19ClN2

>  <MolWeight> (64)
310.82056

>  <Cat> (64)
S4012

>  <Name> (64)
Desloratadine

>  <Synonyms> (64)
SCH-34117, NSC 675447

>  <Target> (64)
Histamine Receptor

>  <Form> (64)
free base

>  <CAS> (64)
100643-71-8

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

$$$$
CYT997.cdx
csChFnd80/06282413142D

 32 34  0  0  0  0  0  0  0  0999 V2000
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    7.2536    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.0949    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 17  1  0  0  0  0
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 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (65)
668

>  <Formula> (65)
C24H30N6O2

>  <MolWeight> (65)
434.534

>  <Cat> (65)
S2195

>  <Name> (65)
Lexibulin (CYT997)

>  <Synonyms> (65)
SRI-32007

>  <Target> (65)
Microtubule Associated

>  <Form> (65)
free base

>  <CAS> (65)
917111-44-5

>  <URL> (65)
http://selleckchem.com/products/CYT997.html

$$$$

csChFnd80/06282413142D

 52 54  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    4.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    4.2962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4243    7.0993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8512    4.2962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0662    4.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0662    6.3962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8512    7.0993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4274    2.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    2.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    6.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4185    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6309    7.4586    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8433    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0558    7.4586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0558    8.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    9.5586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6309    8.8586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8433   10.9537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2640    6.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4227    9.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6351   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0516   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2157    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2157    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4281    1.3523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6406    2.0523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6406    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4281    4.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7704    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9414    2.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  4 12  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  1  0  0  0
  6 19  1  1  0  0  0
  8 20  1  1  0  0  0
  3 21  1  1  0  0  0
  2 22  1  1  0  0  0
 15 23  1  6  0  0  0
  4 24  1  6  0  0  0
  1 25  1  6  0  0  0
  2 26  1  6  0  0  0
 21 27  1  0  0  0  0
  8 28  1  6  0  0  0
  7 29  1  6  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 34 36  1  1  0  0  0
 32 37  1  1  0  0  0
 35 38  1  6  0  0  0
 36 39  1  0  0  0  0
 36 40  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 41  1  0  0  0  0
 45 47  1  1  0  0  0
 43 48  1  1  0  0  0
 43 49  1  6  0  0  0
 44 50  1  6  0  0  0
 49 51  1  0  0  0  0
  5 52  1  1  0  0  0
 52 41  1  6  0  0  0
M  END
>  <Mol_ID> (66)
696

>  <Formula> (66)
C38H72N2O12

>  <MolWeight> (66)
748.98448

>  <Cat> (66)
s1835

>  <Name> (66)
Azithromycin (CP-62993)

>  <Synonyms> (66)
XZ-450,CP-62993

>  <Target> (66)
Antibiotics,Antibiotics for Mammalian Cell Culture,Autophagy,Bacterial,COVID-19

>  <Form> (66)
Free Base

>  <CAS> (66)
83905-01-5

>  <URL> (66)
http://selleckchem.com/products/azithromycin-zithromax.html

$$$$
Cyclosporin A.cdx
csChFnd80/06282413142D

 85 85  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4249    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3663   10.5244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1497   11.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5788   11.2244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5788   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   13.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   14.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1455   15.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7743    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9867    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7065    5.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1141    5.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5189    5.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8165    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9837   11.2244    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (67)
707

>  <Formula> (67)
C62H111N11O12

>  <MolWeight> (67)
1202.61124

>  <Cat> (67)
S2286

>  <Name> (67)
Cyclosporin A (NSC 290193)

>  <Synonyms> (67)
Cyclosporine A, Cyclosporine, Ciclosporin, CsA,NSC 290193

>  <Target> (67)
Antineoplastic and Immunosuppressive Antibiotics,Complement System,Immunology & Inflammation related,phosphatase

>  <Form> (67)
free base

>  <CAS> (67)
59865-13-3

>  <URL> (67)
http://selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

$$$$
Glycyrrhizic acid.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (68)
717

>  <Formula> (68)
C42H62O16

>  <MolWeight> (68)
822.93208

>  <Cat> (68)
S2302

>  <Name> (68)
Glycyrrhizin (NSC 167409)

>  <Synonyms> (68)
N/A

>  <Target> (68)
Dehydrogenase,High-mobility Group,MAO

>  <Form> (68)
free base

>  <CAS> (68)
1405-86-3

>  <URL> (68)
http://selleckchem.com/products/Glycyrrhizic-acid.html

$$$$
Imatinib.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (69)
780

>  <Formula> (69)
C29H31N7O

>  <MolWeight> (69)
493.60274

>  <Cat> (69)
S2475

>  <Name> (69)
Imatinib (STI571)

>  <Synonyms> (69)
STI571,Gleevec, Glivec, CGP057148B

>  <Target> (69)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (69)
free base

>  <CAS> (69)
152459-95-5

>  <URL> (69)
http://selleckchem.com/products/Imatinib(STI571).html

$$$$
PCI-32765.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (70)
785

>  <Formula> (70)
C25H24N6O2

>  <MolWeight> (70)
440.49706

>  <Cat> (70)
S2680

>  <Name> (70)
Ibrutinib (PCI-32765)

>  <Synonyms> (70)
PCI-32765,Imbruvica

>  <Target> (70)
BTK,Target Protein Ligand

>  <Form> (70)
free base

>  <CAS> (70)
936563-96-1

>  <URL> (70)
http://selleckchem.com/products/pci-32765.html

$$$$
nateglinide.cdx
csChFnd80/06282413142D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  1  0  0  0
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 13 14  1  0  0  0  0
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 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (71)
795

>  <Formula> (71)
C19H27NO3

>  <MolWeight> (71)
317.42258

>  <Cat> (71)
S2489

>  <Name> (71)
Nateglinide

>  <Synonyms> (71)
Starlix,A-4166,SDZ DJN 608

>  <Target> (71)
Potassium Channel

>  <Form> (71)
free base

>  <CAS> (71)
105816-04-4

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

$$$$
Sulfadoxine.cdx
csChFnd80/06282413142D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  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
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (72)
810

>  <Formula> (72)
C12H14N4O4S

>  <MolWeight> (72)
310.32896

>  <Cat> (72)
S2511

>  <Name> (72)
Sulfadoxine

>  <Synonyms> (72)
Sulphadoxine

>  <Target> (72)
Anti-infection

>  <Form> (72)
free base

>  <CAS> (72)
2447-57-6

>  <URL> (72)
http://selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

$$$$
Miconazole.cdx
csChFnd80/06282413142D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (73)
825

>  <Formula> (73)
C18H14Cl4N2O

>  <MolWeight> (73)
416.12856

>  <Cat> (73)
S2536

>  <Name> (73)
Miconazole

>  <Synonyms> (73)
Monistat,R18134

>  <Target> (73)
Fungal

>  <Form> (73)
Free Base

>  <CAS> (73)
22916-47-8

>  <URL> (73)
http://selleckchem.com/products/Miconazole-Monistat.html

$$$$
untitled.cdx
csChFnd80/06282413142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    2.8000    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  8 13  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 14  1  0  0  0  0
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 28 23  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (74)
827

>  <Formula> (74)
C19H18ClN3O5S

>  <MolWeight> (74)
435.88132

>  <Cat> (74)
S3002

>  <Name> (74)
Rivaroxaban (BAY 59-7939)

>  <Synonyms> (74)
BAY 59-7939

>  <Target> (74)
Factor Xa

>  <Form> (74)
free base

>  <CAS> (74)
366789-02-8

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

$$$$
CAL-1011.cdx
csChFnd80/06282413142D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (75)
832

>  <Formula> (75)
C22H18FN7O

>  <MolWeight> (75)
415.4230232

>  <Cat> (75)
S2226

>  <Name> (75)
Idelalisib

>  <Synonyms> (75)
CAL-101, GS-1101

>  <Target> (75)
Autophagy,PI3K

>  <Form> (75)
free base

>  <CAS> (75)
870281-82-6

>  <URL> (75)
http://selleckchem.com/products/CAL-101.html

$$$$
erythromycin.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (76)
841

>  <Formula> (76)
C37H67NO13

>  <MolWeight> (76)
733.92678

>  <Cat> (76)
s1635

>  <Name> (76)
Erythromycin

>  <Synonyms> (76)
E-Mycin

>  <Target> (76)
Antibiotics,Antibiotics for Mammalian Cell Culture

>  <Form> (76)
Free Base

>  <CAS> (76)
114-07-8

>  <URL> (76)
http://selleckchem.com/products/Erythromycin(E-Mycin).html

$$$$
R7935788.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (77)
863

>  <Formula> (77)
C23H26FN6O9P

>  <MolWeight> (77)
580.4595042

>  <Cat> (77)
S2625

>  <Name> (77)
Fostamatinib (R788)

>  <Synonyms> (77)
N/A

>  <Target> (77)
Syk

>  <Form> (77)
free base

>  <CAS> (77)
901119-35-5

>  <URL> (77)
http://selleckchem.com/products/R7935788-Fostamatinib.html

$$$$
GSK1120212.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (78)
900

>  <Formula> (78)
C26H23FIN5O4

>  <MolWeight> (78)
615.3947932

>  <Cat> (78)
S2673

>  <Name> (78)
Trametinib (GSK1120212)

>  <Synonyms> (78)
JTP-74057, Mekinist

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

>  <Form> (78)
free base

>  <CAS> (78)
871700-17-3

>  <URL> (78)
http://selleckchem.com/products/gsk1120212-jtp-74057.html

$$$$
ICG001.cdx
csChFnd80/06282413142D

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    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  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
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 38  1  0  0  0  0
M  END
>  <Mol_ID> (79)
901

>  <Formula> (79)
C33H32N4O4

>  <MolWeight> (79)
548.63158

>  <Cat> (79)
S2662

>  <Name> (79)
Foscenvivint (ICG-001)

>  <Synonyms> (79)
N/A

>  <Target> (79)
Apoptosis related,Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (79)
free base

>  <CAS> (79)
780757-88-2 (relative stereochemistry); 847591-62-2 (absolute stereochemistry)

>  <URL> (79)
http://selleckchem.com/products/icg-001.html

$$$$
KX2-391.cdx
csChFnd80/06282413142D

 32 35  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    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 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
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 14 32  2  0  0  0  0
M  END
>  <Mol_ID> (80)
911

>  <Formula> (80)
C26H29N3O3

>  <MolWeight> (80)
431.52676

>  <Cat> (80)
S2700

>  <Name> (80)
Tirbanibulin

>  <Synonyms> (80)
KX2-391,KX 01

>  <Target> (80)
Src

>  <Form> (80)
free base

>  <CAS> (80)
897016-82-9

>  <URL> (80)
http://selleckchem.com/products/kx2-391.html

$$$$
Medroxyprogesterone acetate.cdx
csChFnd80/06282413142D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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  5 22  1  1  0  0  0
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 12 24  1  1  0  0  0
 10 25  1  6  0  0  0
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 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (81)
926

>  <Formula> (81)
C24H34O4

>  <MolWeight> (81)
386.52436

>  <Cat> (81)
S2567

>  <Name> (81)
Medroxyprogesterone acetate (NSC-26386)

>  <Synonyms> (81)
MPA, NSC-26386, Medroxyprogesterone 17-acetate, Farlutin

>  <Target> (81)
Estrogen/progestogen Receptor

>  <Form> (81)
Free Base

>  <CAS> (81)
71-58-9

>  <URL> (81)
http://selleckchem.com/products/Medroxyprogesterone-acetate.html

$$$$
PF299804.cdx
csChFnd80/06282413142D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (82)
931

>  <Formula> (82)
C24H25ClFN5O2

>  <MolWeight> (82)
469.9390032

>  <Cat> (82)
S2727

>  <Name> (82)
Dacomitinib (PF-00299804)

>  <Synonyms> (82)
PF299804,PF299

>  <Target> (82)
Apoptosis related,EGFR,HER2

>  <Form> (82)
free base

>  <CAS> (82)
1110813-31-4

>  <URL> (82)
http://selleckchem.com/products/pf299804.html

$$$$
Linagliptin.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (83)
934

>  <Formula> (83)
C25H28N8O2

>  <MolWeight> (83)
472.54222

>  <Cat> (83)
S3031

>  <Name> (83)
Linagliptin (BI-1356)

>  <Synonyms> (83)
GSK2118436

>  <Target> (83)
Autophagy,Ferroptosis

>  <Form> (83)
free base

>  <CAS> (83)
668270-12-0

>  <URL> (83)
http://selleckchem.com/products/linagliptin-bi-1356.html

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/06282413142D

 27 26  0  0  0  0  0  0  0  0999 V2000
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   13.0889    2.8700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (84)
969

>  <Formula> (84)
C18H28N2O7

>  <MolWeight> (84)
384.42412

>  <Cat> (84)
S1657

>  <Name> (84)
Enalaprilat Dihydrate

>  <Synonyms> (84)
MK-422 Dihydrate

>  <Target> (84)
RAAS

>  <Form> (84)
Dihydrate

>  <CAS> (84)
84680-54-6

>  <URL> (84)
http://selleckchem.com/products/Enalaprilat.html

$$$$
Cephalomannine.cdx
csChFnd80/06282413142D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (85)
987

>  <Formula> (85)
C45H53NO14

>  <MolWeight> (85)
831.90062

>  <Cat> (85)
S2408

>  <Name> (85)
Cephalomannine

>  <Synonyms> (85)
Baccatin III

>  <Target> (85)
Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (85)
free base

>  <CAS> (85)
71610-00-9

>  <URL> (85)
http://selleckchem.com/products/cephalomannine.html

$$$$
Captopril.cdx
csChFnd80/06282413142D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.8903    4.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229    3.5575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  1  1  6  0  0  0
  3  4  1  0  0  0  0
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  2  9  1  0  0  0  0
M  END
>  <Mol_ID> (86)
997

>  <Formula> (86)
C9H15NO3S

>  <MolWeight> (86)
217.2853

>  <Cat> (86)
S2051

>  <Name> (86)
Captopril

>  <Synonyms> (86)
SQ 14225,Capoten

>  <Target> (86)
ACE,RAAS

>  <Form> (86)
free base

>  <CAS> (86)
62571-86-2

>  <URL> (86)
http://selleckchem.com/products/captopril-capoten.html

$$$$
Entacapone.cdx
csChFnd80/06282413142D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 16  1  0  0  0  0
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  3 10  1  0  0  0  0
 21 22  3  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (87)
1026

>  <Formula> (87)
C14H15N3O5

>  <MolWeight> (87)
305.286

>  <Cat> (87)
S3147

>  <Name> (87)
Entacapone

>  <Synonyms> (87)
OR-611

>  <Target> (87)
COMT,Histone Methyltransferase

>  <Form> (87)
free base

>  <CAS> (87)
130929-57-6

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

$$$$
Benztropine mesylate.cdx
csChFnd80/06282413142D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1714    5.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    3.6844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6309    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    6.8302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.6335    5.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3310    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7262    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3335    8.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5262    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8262    7.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7246    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1246    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  7  8  1  6  0  0  0
  3  8  1  6  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 12  1  0  0  0  0
 13 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 23 13  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (88)
1033

>  <Formula> (88)
C22H29NO4S

>  <MolWeight> (88)
403.53496

>  <Cat> (88)
S3163

>  <Name> (88)
Benztropine mesylate

>  <Synonyms> (88)
Cogentin mesylate, Benztropine methanesulfonate

>  <Target> (88)
Dopamine Receptor

>  <Form> (88)
Mesylate

>  <CAS> (88)
132-17-2

>  <URL> (88)
http://selleckchem.com/products/benztropine-mesylate.html

$$$$
Sulfathiazole.cdx
csChFnd80/06282413142D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    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
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    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
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    2.6048    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    0.6430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  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
 10 12  1  0  0  0  0
  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (89)
1055

>  <Formula> (89)
C9H9N3O2S2

>  <MolWeight> (89)
255.31666

>  <Cat> (89)
S3116

>  <Name> (89)
Sulfathiazole

>  <Synonyms> (89)
N/A

>  <Target> (89)
Anti-infection

>  <Form> (89)
free base

>  <CAS> (89)
72-14-0

>  <URL> (89)
http://selleckchem.com/products/sulfathiazole.html

$$$$
carfilzomib(PR-171).cdx
csChFnd80/06282413142D

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4660    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0907    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5072    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7154    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4907    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4971    3.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1348    2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1247    1.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4770    1.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8394    3.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8494    4.2700    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 25  1  0  0  0  0
 23 29  1  1  0  0  0
 15 30  1  1  0  0  0
 25 31  1  0  0  0  0
 11 32  1  6  0  0  0
 19 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 30 41  1  0  0  0  0
 41 42  1  0  0  0  0
 29 43  1  0  0  0  0
 41 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
 33 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 47  1  0  0  0  0
M  END
>  <Mol_ID> (90)
1056

>  <Formula> (90)
C40H57N5O7

>  <MolWeight> (90)
719.90988

>  <Cat> (90)
S2853

>  <Name> (90)
Carfilzomib (PR-171)

>  <Synonyms> (90)
N/A

>  <Target> (90)
Apoptosis related,Autophagy,COVID-19,Proteasome

>  <Form> (90)
free base

>  <CAS> (90)
868540-17-4

>  <URL> (90)
http://selleckchem.com/products/carfilzomib-pr-171.html

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/06282413142D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8388    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0568    4.1919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6374    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0568    5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731    1.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    5.6165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2179    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6833    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9012    5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6833    7.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    6.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9012    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    7.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3205    8.4218    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  1  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 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
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (91)
1093

>  <Formula> (91)
C22H19ClO3

>  <MolWeight> (91)
366.83746

>  <Cat> (91)
S3079

>  <Name> (91)
Atovaquone

>  <Synonyms> (91)
Atavaquone

>  <Target> (91)
COVID-19,Fungal,Parasite

>  <Form> (91)
free base

>  <CAS> (91)
95233-18-4

>  <URL> (91)
http://selleckchem.com/products/atovaquone-atavaquone.html

$$$$
Indacaterol Maleate.cdx
csChFnd80/06282413142D

 37 39  0  0  0  0  0  0  0  0999 V2000
   12.4779    6.5090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    7.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    6.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    5.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    4.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    4.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    5.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    8.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9028    5.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    2.3090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8406    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    0.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6282    2.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368    2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694    4.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1165    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289    5.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5371    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5329    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  2 11  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  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  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
 17 25  1  0  0  0  0
 20 25  2  0  0  0  0
 26 27  1  0  0  0  0
 23 26  1  0  0  0  0
 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
 16 18  1  0  0  0  0
 14 16  1  0  0  0  0
  6 13  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 35  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (92)
1105

>  <Formula> (92)
C28H32N2O7

>  <MolWeight> (92)
508.56288

>  <Cat> (92)
S3083

>  <Name> (92)
Indacaterol Maleate

>  <Synonyms> (92)
QAB149

>  <Target> (92)
Adrenergic Receptor

>  <Form> (92)
Maleate

>  <CAS> (92)
753498-25-8

>  <URL> (92)
http://selleckchem.com/products/indacaterol-maleate.html

$$$$
Triptolide.cdx
csChFnd80/06282413142D

 27 33  0  0  0  0  0  0  0  0999 V2000
    6.1099    4.3264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3399    3.6242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1099    5.7263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8800    3.6242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3399    2.2287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5697    4.3264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6089    3.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399    6.4242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8800    2.2287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6502    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1099    1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5697    5.7263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7560    3.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5872    7.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    3.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777    6.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    2.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3493    0.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8156    5.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777    7.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782    1.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800    1.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3223    5.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800    5.0193    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  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5  7  1  1  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  8 14  1  6  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  6  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 14  1  6  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 23  1  0  0  0  0
  3 26  1  1  0  0  0
  1 26  1  1  0  0  0
  4 27  1  1  0  0  0
M  END
>  <Mol_ID> (93)
1107

>  <Formula> (93)
C20H24O6

>  <MolWeight> (93)
360.40096

>  <Cat> (93)
S3604

>  <Name> (93)
Triptolide (PG490)

>  <Synonyms> (93)
NSC 163062

>  <Target> (93)
ADC Cytotoxin,Apoptosis related,HSP (HSP90),MDM2/MDMX,NF-¦ÊB

>  <Form> (93)
free base

>  <CAS> (93)
38748-32-2

>  <URL> (93)
http://selleckchem.com/products/triptolide.html

$$$$
Pirfenidone.cdx
csChFnd80/06282413142D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.1980    2.4190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8166    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1980    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4190    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
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (94)
1109

>  <Formula> (94)
C12H11NO

>  <MolWeight> (94)
185.22184

>  <Cat> (94)
S2907

>  <Name> (94)
Pirfenidone (S-7701)

>  <Synonyms> (94)
AMR-69

>  <Target> (94)
CCR,TGF-beta/Smad

>  <Form> (94)
free base

>  <CAS> (94)
53179-13-8

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

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/06282413142D

 21 22  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
    3.6331    2.7976    0.0000 C   0  0  3  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
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
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 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (95)
1168

>  <Formula> (95)
C17H20N2O2

>  <MolWeight> (95)
284.3529

>  <Cat> (95)
S1913

>  <Name> (95)
Tropicamide

>  <Synonyms> (95)
Ro 1-7683

>  <Target> (95)
AChR

>  <Form> (95)
free base

>  <CAS> (95)
1508-75-4

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

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/06282413142D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
  5 13  1  1  0  0  0
 10 14  1  1  0  0  0
  9 15  1  1  0  0  0
 14 16  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 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 17  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  1  0  0  0
 20 30  1  1  0  0  0
 17 16  1  6  0  0  0
M  END
>  <Mol_ID> (96)
1178

>  <Formula> (96)
C24H36O5

>  <MolWeight> (96)
404.53964

>  <Cat> (96)
S2061

>  <Name> (96)
Lovastatin (MK-803)

>  <Synonyms> (96)
Mevinolin,Mevacor

>  <Target> (96)
Autophagy,HMG-CoA Reductase

>  <Form> (96)
free base

>  <CAS> (96)
75330-75-5

>  <URL> (96)
http://selleckchem.com/products/lovastatin-mevacor.html

$$$$
Argatroban.cdx
csChFnd80/06282413142D

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4618    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0949    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2536    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  4  2  0  0  0  0
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 16 10  1  0  0  0  0
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 18 20  2  0  0  0  0
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 30 26  1  0  0  0  0
 28 31  1  0  0  0  0
 16 32  1  1  0  0  0
 14 33  1  6  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
  8 36  1  6  0  0  0
M  END
>  <Mol_ID> (97)
1183

>  <Formula> (97)
C23H36N6O5S

>  <MolWeight> (97)
508.63414

>  <Cat> (97)
S2069

>  <Name> (97)
Argatroban (MCI-9038)

>  <Synonyms> (97)
MCI-9038

>  <Target> (97)
Thrombin

>  <Form> (97)
free base

>  <CAS> (97)
74863-84-6

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

$$$$
Pazopanib.cdx
csChFnd80/06282413142D

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.4663    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8663    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8912    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5544    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903    5.2641    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
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  1  7  1  0  0  0  0
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 12 13  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
>  <Mol_ID> (98)
1216

>  <Formula> (98)
C21H23N7O2S

>  <MolWeight> (98)
437.51802

>  <Cat> (98)
S3012

>  <Name> (98)
Pazopanib

>  <Synonyms> (98)
GW786034

>  <Target> (98)
Autophagy,Cathepsin B,c-Kit,CSF-1R,Cysteine Protease,FGFR,PDGFR,VEGFR

>  <Form> (98)
Free Base

>  <CAS> (98)
444731-52-6

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

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/06282413142D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 30 25  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
 31 21  1  1  0  0  0
M  END
>  <Mol_ID> (99)
1220

>  <Formula> (99)
C25H35N3O6S

>  <MolWeight> (99)
505.6269

>  <Cat> (99)
S1639

>  <Name> (99)
Amprenavir (VX-478)

>  <Synonyms> (99)
141W94, VX-478, KVX-478

>  <Target> (99)
HIV Protease

>  <Form> (99)
free base

>  <CAS> (99)
161814-49-9

>  <URL> (99)
http://selleckchem.com/products/Amprenavir-(Agenerase).html

$$$$
Pergolide mesylate salt.cdx
csChFnd80/06282413142D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4248    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312    3.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6064    1.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (100)
1240

>  <Formula> (100)
C20H30N2O3S2

>  <MolWeight> (100)
410.5938

>  <Cat> (100)
S4000

>  <Name> (100)
Pergolide Mesylate

>  <Synonyms> (100)
LY127809

>  <Target> (100)
Dopamine Receptor

>  <Form> (100)
Mesylate

>  <CAS> (100)
66104-23-2

>  <URL> (100)
http://selleckchem.com/products/Pergolide-mesylate.html

$$$$
PF-05208749.cdx
csChFnd80/06282413142D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
1245

>  <Formula> (101)
C30H35ClN2O3

>  <MolWeight> (101)
507.0635

>  <Cat> (101)
S2128

>  <Name> (101)
Bazedoxifene (WAY-140424) HCl

>  <Synonyms> (101)
TSE-424

>  <Target> (101)
Estrogen/progestogen Receptor

>  <Form> (101)
Hydrochloride

>  <CAS> (101)
198480-56-7

>  <URL> (101)
http://selleckchem.com/products/bazedoxifene-hcl.html

$$$$
PF-06405761.cdx
csChFnd80/06282413142D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (102)
1246

>  <Formula> (102)
C16H17N3O4S

>  <MolWeight> (102)
347.38888

>  <Cat> (102)
S1216

>  <Name> (102)
PFI-1 (PF-6405761)

>  <Synonyms> (102)
N/A

>  <Target> (102)
Epigenetic Reader Domain

>  <Form> (102)
free base

>  <CAS> (102)
1403764-72-6

>  <URL> (102)
http://selleckchem.com/products/pfl-1.html

$$$$
Mefenamic acid.cdx
csChFnd80/06282413142D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (103)
1293

>  <Formula> (103)
C15H15NO2

>  <MolWeight> (103)
241.2851

>  <Cat> (103)
S4078

>  <Name> (103)
Mefenamic Acid

>  <Synonyms> (103)
CI 473, CN-35355

>  <Target> (103)
COX

>  <Form> (103)
free base

>  <CAS> (103)
61-68-7

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

$$$$
Pirarubicin.cdx
csChFnd80/06282413142D

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 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (104)
1295

>  <Formula> (104)
C32H37NO12

>  <MolWeight> (104)
627.63568

>  <Cat> (104)
S1393

>  <Name> (104)
Pirarubicin (NSC-333054)

>  <Synonyms> (104)
NSC-333054,THP

>  <Target> (104)
Antineoplastic and Immunosuppressive Antibiotics,Topoisomerase

>  <Form> (104)
free base

>  <CAS> (104)
72496-41-4

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

$$$$
Aclidinium bromide.cdx
csChFnd80/06282413142D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (105)
1307

>  <Formula> (105)
C26H30BrNO4S2

>  <MolWeight> (105)
564.5547

>  <Cat> (105)
S4031

>  <Name> (105)
Aclidinium Bromide

>  <Synonyms> (105)
LAS 34273, LAS-W 330

>  <Target> (105)
AChR

>  <Form> (105)
quaternary-N bromide salt

>  <CAS> (105)
320345-99-1

>  <URL> (105)
http://selleckchem.com/products/aclidinium-bromide.html

$$$$
Clofazimine.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (106)
1334

>  <Formula> (106)
C27H22Cl2N4

>  <MolWeight> (106)
473.39638

>  <Cat> (106)
S4107

>  <Name> (106)
Clofazimine

>  <Synonyms> (106)
NSC-141046

>  <Target> (106)
Antineoplastic and Immunosuppressive Antibiotics,Dyes,Phospholipase (e.g. PLA)

>  <Form> (106)
free base

>  <CAS> (106)
2030-63-9

>  <URL> (106)
http://selleckchem.com/products/clofazimine.html

$$$$
triclabendazole.cdx
csChFnd80/06282413142D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0239    2.7951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7215    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    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
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 15  8  1  0  0  0  0
 12 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (107)
1354

>  <Formula> (107)
C14H9Cl3N2OS

>  <MolWeight> (107)
359.65806

>  <Cat> (107)
S4114

>  <Name> (107)
Triclabendazole

>  <Synonyms> (107)
CGA-89317,tcbz

>  <Target> (107)
Microtubule Associated

>  <Form> (107)
free base

>  <CAS> (107)
68786-66-3

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

$$$$
Diminazene aceturate.cdx
csChFnd80/06282413142D

 37 36  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5049    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
    3.6415    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1412    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9975    7.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7850    5.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099    6.7098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    7.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    8.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6348    6.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6457    7.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8582    7.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0706    7.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8582    5.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2831    7.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4955    7.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4955    9.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7079    7.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 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
M  END
>  <Mol_ID> (108)
1381

>  <Formula> (108)
C22H29N9O6

>  <MolWeight> (108)
515.52236

>  <Cat> (108)
S4104

>  <Name> (108)
Diminazene Aceturate

>  <Synonyms> (108)
Diminazene diaceturate

>  <Target> (108)
ACE,Parasite

>  <Form> (108)
Aceturate

>  <CAS> (108)
908-54-3

>  <URL> (108)
http://selleckchem.com/products/diminazene-aceturate.html

$$$$
ifenprodil tartrate.cdx
csChFnd80/06282413142D

 58 61  0  0  0  0  0  0  0  0999 V2000
    1.2082   11.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331   11.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   12.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.9021    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496   10.5997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    8.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    9.9021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    7.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    7.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3541    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1458    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9872    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1954    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9872    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4036    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1954    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4036    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6160    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8285    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8285    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0367    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4574    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6698    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6698    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4574    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2449    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4623    5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 25 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 35 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
 41 35  1  0  0  0  0
 39 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 43  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
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 50 54  1  6  0  0  0
 53 56  1  6  0  0  0
M  END
>  <Mol_ID> (109)
1389

>  <Formula> (109)
C46H60N2O10

>  <MolWeight> (109)
800.976

>  <Cat> (109)
S4091

>  <Name> (109)
Ifenprodil Tartrate

>  <Synonyms> (109)
N/A

>  <Target> (109)
NMDAR

>  <Form> (109)
Tartrate

>  <CAS> (109)
23210-58-4

>  <URL> (109)
http://selleckchem.com/products/ifenprodil-tartrate.html

$$$$
mevastatin.cdx
csChFnd80/06282413142D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.7009    8.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    7.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    9.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    6.3003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2739    8.4028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9073    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    7.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    2.1023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8539    2.8008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6405    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4198    4.1978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6405    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    3.4993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  6  1  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  6  0  0  0
  7  4  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  1  0  0  0
 18  8  1  0  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 15 10  1  0  0  0  0
 10 29  1  1  0  0  0
 11 14  1  6  0  0  0
 23 11  1  0  0  0  0
 12 14  1  0  0  0  0
 20 12  2  0  0  0  0
 22 12  1  0  0  0  0
 16 13  1  0  0  0  0
 21 13  2  0  0  0  0
 15 18  1  1  0  0  0
 19 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 19 25  1  1  0  0  0
 24 21  1  0  0  0  0
 26 22  1  0  0  0  0
 22 27  1  1  0  0  0
 23 24  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (110)
1414

>  <Formula> (110)
C23H34O5

>  <MolWeight> (110)
390.51306

>  <Cat> (110)
S4223

>  <Name> (110)
Mevastatin

>  <Synonyms> (110)
ML-236B,Compactin

>  <Target> (110)
HMG-CoA Reductase

>  <Form> (110)
free base

>  <CAS> (110)
73573-88-3

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/06282413142D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.7000    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
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    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    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  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
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (111)
1429

>  <Formula> (111)
C11H12N4O3S

>  <MolWeight> (111)
280.30298

>  <Cat> (111)
S4250

>  <Name> (111)
Sulfamethoxypyridazine

>  <Synonyms> (111)
CL 13494

>  <Target> (111)
Anti-infection

>  <Form> (111)
free base

>  <CAS> (111)
80-35-3

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

$$$$
Bazedoxifene acetate.cdx
csChFnd80/06282413142D

 39 42  0  0  0  0  0  0  0  0999 V2000
    5.7580    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7580    5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9705    5.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1829    5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1829    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9705    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5144    5.4812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3373    6.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5144    7.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498    8.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9455    9.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7324    6.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9455    4.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4324    5.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8324    5.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    6.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8324    7.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4324    7.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9276    6.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    3.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6426    3.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058    2.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1384    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5078    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4446    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2049    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8402    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4779    1.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303    2.0035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9556    3.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607    4.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453    3.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1532    1.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4080    0.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6204    0.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8286    0.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6204    2.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
  7 13  1  0  0  0  0
 12 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 12  1  0  0  0  0
 16 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 29  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
M  END
>  <Mol_ID> (112)
1434

>  <Formula> (112)
C32H38N2O5

>  <MolWeight> (112)
530.65452

>  <Cat> (112)
S2167

>  <Name> (112)
Bazedoxifene (TSE-424) acetate

>  <Synonyms> (112)
WAY-140424,TSE-424 acetate

>  <Target> (112)
Estrogen/progestogen Receptor

>  <Form> (112)
Acetate

>  <CAS> (112)
198481-33-3

>  <URL> (112)
http://selleckchem.com/products/Bazedoxifene-acetate.html

$$$$
Alizapride hydrochloride.cdx
csChFnd80/06282413142D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.5485    2.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5485    4.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8929    2.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    4.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    4.4808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1077    2.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7295    3.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1082    4.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966    1.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8971    4.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6834    2.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6846    4.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8971    6.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742    4.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2627    4.0408    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9598    4.6181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156    2.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726    5.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235    2.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614    6.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0123    6.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8544    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (113)
1458

>  <Formula> (113)
C16H22ClN5O2

>  <MolWeight> (113)
351.83118

>  <Cat> (113)
S4257

>  <Name> (113)
Alizapride HCl

>  <Synonyms> (113)
Alizapride hydrochloride

>  <Target> (113)
Dopamine Receptor

>  <Form> (113)
hydrochloride

>  <CAS> (113)
59338-87-3

>  <URL> (113)
http://selleckchem.com/products/alizapride-hcl.html

$$$$
Diacerein.cdx
csChFnd80/06282413142D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0538    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  7 19  2  0  0  0  0
 10 20  2  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (114)
1461

>  <Formula> (114)
C19H12O8

>  <MolWeight> (114)
368.29378

>  <Cat> (114)
S4267

>  <Name> (114)
Diacerein

>  <Synonyms> (114)
N/A

>  <Target> (114)
Interleukins

>  <Form> (114)
free base

>  <CAS> (114)
13739-02-1

>  <URL> (114)
http://selleckchem.com/products/diacerein.html

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/06282413142D

 36 38  0  0  0  0  0  0  0  0999 V2000
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   11.2263    3.3978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6202    3.2674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1749    4.5529    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1238    5.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6341    5.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5110    4.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2256    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    4.7562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6939    3.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085    4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6547    6.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2854    3.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563    2.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4477    2.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9256    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2256    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9256    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3256    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0256    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3256    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8639    2.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5171    5.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5071    6.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1447    7.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7924    7.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8025    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8795    3.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1347    8.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8326    2.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6202    1.8674    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    6.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  6  0  0  0
 13 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 10 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
  2 25  1  6  0  0  0
  4 26  1  1  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  2  0  0  0  0
 31 26  1  0  0  0  0
 27 32  2  0  0  0  0
 29 33  2  0  0  0  0
  3 34  1  1  0  0  0
  3 35  1  6  0  0  0
  8 36  2  0  0  0  0
M  END
>  <Mol_ID> (115)
1463

>  <Formula> (115)
C22H29FN3O9P

>  <MolWeight> (115)
529.4525242

>  <Cat> (115)
S2794

>  <Name> (115)
Sofosbuvir (GS-7977)

>  <Synonyms> (115)
PSI-7977

>  <Target> (115)
DNA/RNA Synthesis,HCV Protease

>  <Form> (115)
free base

>  <CAS> (115)
1190307-88-0

>  <URL> (115)
http://selleckchem.com/products/psi-7977-gs-7977.html

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/06282413142D

 51 55  0  0  0  0  0  0  0  0999 V2000
    6.1097    3.4927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.4000    7.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4765    4.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6847    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6847    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8929    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1054    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1054    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3136    3.4903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5260    2.7903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
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  8  2  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 12 11  1  6  0  0  0
  5  9  1  1  0  0  0
  1 24  1  1  0  0  0
  2 25  1  1  0  0  0
  4 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 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  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
 33 43  1  6  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 43  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
>  <Mol_ID> (116)
1471

>  <Formula> (116)
C36H53N7O6

>  <MolWeight> (116)
679.84932

>  <Cat> (116)
S1538

>  <Name> (116)
Telaprevir (VX-950)

>  <Synonyms> (116)
LY-570310, MP-424,VX-950

>  <Target> (116)
COVID-19,HCV Protease

>  <Form> (116)
free base

>  <CAS> (116)
402957-28-2

>  <URL> (116)
http://selleckchem.com/products/Telaprevir(VX-950).html

$$$$
Vinorelbine tartrate.cdx
csChFnd80/06282413142D

 79 85  0  0  0  0  0  0  0  0999 V2000
    6.7339    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7339    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4902    7.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3131    8.2866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8371    3.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3666    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9460    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7831    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9913    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7831    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3666    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  9 19  1  1  0  0  0
 20 19  1  0  0  0  0
 20 18  1  0  0  0  0
 14 21  1  6  0  0  0
  8 22  1  1  0  0  0
 13 23  1  6  0  0  0
 23 24  1  0  0  0  0
 12 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 11 29  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 11 33  1  1  0  0  0
 34  1  1  6  0  0  0
  2 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
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 39 41  2  0  0  0  0
 40 42  1  0  0  0  0
 38 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 38  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 45  1  0  0  0  0
 37 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 51  1  0  0  0  0
 53 57  1  0  0  0  0
 57 58  1  0  0  0  0
 43 59  1  0  0  0  0
 55 59  1  1  0  0  0
 60 61  1  0  0  0  0
 60 62  1  0  0  0  0
 60 63  2  0  0  0  0
 61 64  1  0  0  0  0
 64 65  1  0  0  0  0
 64 66  1  6  0  0  0
 65 67  1  0  0  0  0
 65 68  2  0  0  0  0
 61 69  1  6  0  0  0
 70 71  1  0  0  0  0
 70 72  1  0  0  0  0
 70 73  2  0  0  0  0
 71 74  1  0  0  0  0
 74 75  1  0  0  0  0
 74 76  1  6  0  0  0
 75 77  1  0  0  0  0
 75 78  2  0  0  0  0
 71 79  1  6  0  0  0
M  END
>  <Mol_ID> (117)
1475

>  <Formula> (117)
C53H66N4O20

>  <MolWeight> (117)
1079.10594

>  <Cat> (117)
S4269

>  <Name> (117)
Vinorelbine ditartrate (KW-2307)

>  <Synonyms> (117)
Nor-5'-anhydrovinblastine ditartrate,KW-2307

>  <Target> (117)
Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (117)
ditartrate

>  <CAS> (117)
125317-39-7

>  <URL> (117)
http://selleckchem.com/products/vinorelbine-tartrate.html

$$$$
Vincristine Sulfate.cdx
csChFnd80/06282413142D

 68 75  0  0  0  0  0  0  0  0999 V2000
    5.3471    4.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371    3.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6894    3.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0517    5.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618    6.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    5.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9995    3.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8635    2.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9515    3.8146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4498    5.1217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4397    6.1116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8041    7.3590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    7.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2024    5.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8378    6.0383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6003    7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9414    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8021    4.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1801    6.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1683    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105    4.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520    9.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    9.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502    7.4334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422   11.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   11.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    9.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520   10.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0043   10.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167    9.9100    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0752    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0652    7.2901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5167    8.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    9.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4175    7.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167    8.6976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0167    9.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6690    9.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6590   10.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652    6.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8906    8.8479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1030    9.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5383    8.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2529    7.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1906   10.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  1  0  0  0
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 14 15  1  0  0  0  0
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 19 13  1  0  0  0  0
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 16 35  1  6  0  0  0
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 37 38  1  0  0  0  0
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 39 40  1  0  0  0  0
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 45 46  1  0  0  0  0
 46 38  1  0  0  0  0
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 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 45  1  0  0  0  0
 43 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 37 54  1  0  0  0  0
 54 55  1  0  0  0  0
 53 56  1  0  0  0  0
 56 55  1  0  0  0  0
 53 57  1  0  0  0  0
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 57 59  1  0  0  0  0
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 59 60  1  1  0  0  0
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 61 62  1  0  0  0  0
 55 63  1  6  0  0  0
 64 65  2  0  0  0  0
 64 66  2  0  0  0  0
 64 67  1  0  0  0  0
 64 68  1  0  0  0  0
M  END
>  <Mol_ID> (118)
1479

>  <Formula> (118)
C46H58N4O14S

>  <MolWeight> (118)
923.03612

>  <Cat> (118)
S1241

>  <Name> (118)
Vincristine (NSC-67574) sulfate

>  <Synonyms> (118)
Leurocristine, Oncovin, NSC-67574, 22-Oxovincaleukoblastine

>  <Target> (118)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (118)
free base

>  <CAS> (118)
2068-78-2

>  <URL> (118)
http://selleckchem.com/products/Vincristine-Sulfate.html

$$$$
Bambuterol HCl.cdx
csChFnd80/06282413142D

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    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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   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5 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
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 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (119)
1491

>  <Formula> (119)
C18H30ClN3O5

>  <MolWeight> (119)
403.9009

>  <Cat> (119)
S4277

>  <Name> (119)
Bambuterol HCl

>  <Synonyms> (119)
Bambuterol hydrochloride,KWD-2183 hydrochloride

>  <Target> (119)
Adrenergic Receptor

>  <Form> (119)
Hydrochloride

>  <CAS> (119)
81732-46-9

>  <URL> (119)
http://selleckchem.com/products/bambuterol-hci.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/06282413142D

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.4165   14.3134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4165   12.9134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (120)
1508

>  <Formula> (120)
C44H69NO12

>  <MolWeight> (120)
804.01816

>  <Cat> (120)
S5003

>  <Name> (120)
Tacrolimus (FK506)

>  <Synonyms> (120)
FK506, FR900506, Fujimycin, Prograf

>  <Target> (120)
Autophagy,FKBP,phosphatase

>  <Form> (120)
free base

>  <CAS> (120)
104987-11-3

>  <URL> (120)
http://selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
R-Ruxolitinib.cdx
csChFnd80/06282413142D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 14 10  2  0  0  0  0
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M  END
>  <Mol_ID> (121)
1510

>  <Formula> (121)
C17H18N6

>  <MolWeight> (121)
306.36502

>  <Cat> (121)
S1378

>  <Name> (121)
Ruxolitinib (INCB018424)

>  <Synonyms> (121)
INCB018424

>  <Target> (121)
Apoptosis related,Autophagy,JAK,Mitophagy

>  <Form> (121)
free base

>  <CAS> (121)
941678-49-5

>  <URL> (121)
http://selleckchem.com/products/INCB18424.html

$$$$
Temsirolimus.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (122)
1511

>  <Formula> (122)
C56H87NO16

>  <MolWeight> (122)
1030.28708

>  <Cat> (122)
S1044

>  <Name> (122)
Temsirolimus (CCI-779)

>  <Synonyms> (122)
NSC 683864,CCI-779

>  <Target> (122)
Apoptosis related,Autophagy,mTOR

>  <Form> (122)
free base

>  <CAS> (122)
162635-04-3

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

$$$$
Nitenpyram.cdx
csChFnd80/06282413142D

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   10.9119    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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M  END
>  <Mol_ID> (123)
1513

>  <Formula> (123)
C11H15ClN4O2

>  <MolWeight> (123)
270.7154

>  <Cat> (123)
S4422

>  <Name> (123)
Nitenpyram

>  <Synonyms> (123)
Bestguard,Capstar

>  <Target> (123)
AChR,Parasite

>  <Form> (123)
free base

>  <CAS> (123)
150824-47-8

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

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/06282413142D

 22 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (124)
1519

>  <Formula> (124)
C18H29ClN2O

>  <MolWeight> (124)
324.88866

>  <Cat> (124)
S4061

>  <Name> (124)
Levobupivacaine HCl

>  <Synonyms> (124)
(S)-(-)-Bupivacaine HCl

>  <Target> (124)
Sodium Channel

>  <Form> (124)
Hydrochloride

>  <CAS> (124)
27262-48-2

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

$$$$
PF-2341066.cdx
csChFnd80/06282413142D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.0957    4.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957    4.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8102    3.7054    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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  6  1  1  0  0  0  0
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  3  8  1  0  0  0  0
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 10 11  2  0  0  0  0
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 14 18  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
  9 30  1  1  0  0  0
 19  1  1  0  0  0  0
M  END
>  <Mol_ID> (125)
1523

>  <Formula> (125)
C21H22Cl2FN5O

>  <MolWeight> (125)
450.3366832

>  <Cat> (125)
S1068

>  <Name> (125)
Crizotinib (PF-02341066)

>  <Synonyms> (125)
PF-02341066

>  <Target> (125)
ALK,Autophagy,c-Met,ROS1

>  <Form> (125)
free base

>  <CAS> (125)
877399-52-5

>  <URL> (125)
http://selleckchem.com/products/PF-2341066.html

$$$$
Sertaconazole nitrate.cdx
csChFnd80/06282413142D

 31 33  0  0  0  0  0  0  0  0999 V2000
   11.1920    5.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3661    4.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0038    3.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6057    2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1040    4.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3894    5.9969    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3793    6.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0170    8.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0069    9.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3592    8.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3492    9.9567    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
 17 20  1  0  0  0  0
  7 16  1  0  0  0  0
  5  6  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (126)
1529

>  <Formula> (126)
C20H16Cl3N3O4S

>  <MolWeight> (126)
500.78274

>  <Cat> (126)
S3161

>  <Name> (126)
Sertaconazole nitrate

>  <Synonyms> (126)
FI-7045,FI7056

>  <Target> (126)
Fungal

>  <Form> (126)
Nitrate

>  <CAS> (126)
99592-39-9

>  <URL> (126)
http://selleckchem.com/products/sertaconazole-nitrate.html

$$$$
Vinblastine sulfate.cdx
csChFnd80/06282413142D

 67 74  0  0  0  0  0  0  0  0999 V2000
   10.3017    8.1853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5141    8.8853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2230   10.2547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8860    9.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5949   10.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2634   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 49 60  1  1  0  0  0
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 16 18  1  0  0  0  0
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M  END
>  <Mol_ID> (127)
1538

>  <Formula> (127)
C46H60N4O13S

>  <MolWeight> (127)
909.0526

>  <Cat> (127)
S4505

>  <Name> (127)
Vinblastine (NSC-49842) sulfate

>  <Synonyms> (127)
Vincaleukoblastine sulfate salt, 29060-LE, Exal, Velban, Velbe

>  <Target> (127)
AChR,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (127)
sulfate

>  <CAS> (127)
143-67-9

>  <URL> (127)
http://selleckchem.com/products/vinblastine-sulfate.html

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/06282413142D

  6  4  0  0  0  0  0  0  0  0999 V2000
    2.4247    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.5235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (128)
1565

>  <Formula> (128)
CH7ClN4

>  <MolWeight> (128)
110.54608

>  <Cat> (128)
S4548

>  <Name> (128)
Aminoguanidine hydrochloride

>  <Synonyms> (128)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (128)
NOS

>  <Form> (128)
hydrochloride

>  <CAS> (128)
1937-19-5

>  <URL> (128)
http://selleckchem.com/products/aminoguanidine-hydrochloride.html

$$$$
S4625 Alcaftadine.cdx
csChFnd80/06282413142D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.3905    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6520    5.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    5.5257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0110    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  5  1  0  0  0  0
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 14  8  1  0  0  0  0
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 12  9  1  0  0  0  0
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 21 11  1  0  0  0  0
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M  END
>  <Mol_ID> (129)
1602

>  <Formula> (129)
C19H21N3O

>  <MolWeight> (129)
307.38954

>  <Cat> (129)
S4625

>  <Name> (129)
Alcaftadine

>  <Synonyms> (129)
Lastacaft, R89674

>  <Target> (129)
Histamine Receptor

>  <Form> (129)
free base

>  <CAS> (129)
147084-10-4

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

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/06282413142D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0003    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0957    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0939    3.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003    0.0060    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2936    6.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5061    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
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  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
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 11 17  2  0  0  0  0
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 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
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 16 20  2  0  0  0  0
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M  END
>  <Mol_ID> (130)
1604

>  <Formula> (130)
C23H21ClO3

>  <MolWeight> (130)
380.86404

>  <Cat> (130)
S4629

>  <Name> (130)
Chlorotrianisene

>  <Synonyms> (130)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (130)
Estrogen/progestogen Receptor

>  <Form> (130)
free base

>  <CAS> (130)
569-57-3

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

$$$$
S4651 Etoricoxib.cdx
csChFnd80/06282413142D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18  3  1  0  0  0  0
  4  8  1  0  0  0  0
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 12  5  2  0  0  0  0
 15  5  1  0  0  0  0
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M  END
>  <Mol_ID> (131)
1643

>  <Formula> (131)
C18H15ClN2O2S

>  <MolWeight> (131)
358.8419

>  <Cat> (131)
S4651

>  <Name> (131)
Etoricoxib

>  <Synonyms> (131)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (131)
COX

>  <Form> (131)
free base

>  <CAS> (131)
202409-33-4

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

$$$$
Atazanavir.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (132)
1660

>  <Formula> (132)
C38H52N6O7

>  <MolWeight> (132)
704.85548

>  <Cat> (132)
S4662

>  <Name> (132)
Atazanavir

>  <Synonyms> (132)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (132)
HIV Protease,P450 (e.g. CYP17),P-gp

>  <Form> (132)
free base

>  <CAS> (132)
198904-31-3

>  <URL> (132)
http://selleckchem.com/products/atazanavir-reyataz.html

$$$$
AT-406.cdx
csChFnd80/06282413142D

 41 44  0  0  0  0  0  0  0  0999 V2000
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   13.3727    4.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3627    3.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3828    3.3041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3627    1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5751    1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (133)
1661

>  <Formula> (133)
C32H43N5O4

>  <MolWeight> (133)
561.71492

>  <Cat> (133)
S2754

>  <Name> (133)
Xevinapant (AT406)

>  <Synonyms> (133)
ARRY-334543, Debio1143, SM-406

>  <Target> (133)
E3 Ligase ,IAP

>  <Form> (133)
free base

>  <CAS> (133)
1071992-99-8

>  <URL> (133)
http://selleckchem.com/products/at-406.html

$$$$
MK4827.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (134)
1686

>  <Formula> (134)
C19H20N4O

>  <MolWeight> (134)
320.3883

>  <Cat> (134)
S2741

>  <Name> (134)
Niraparib (MK-4827)

>  <Target> (134)
Apoptosis related,PARP

>  <Form> (134)
Free Base

>  <CAS> (134)
1038915-60-4

>  <URL> (134)
http://selleckchem.com/products/mk-4827.html

$$$$
S4747 Jervine.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (135)
1692

>  <Formula> (135)
C27H39NO3

>  <MolWeight> (135)
425.60346

>  <Cat> (135)
S4747

>  <Name> (135)
Jervine

>  <Synonyms> (135)
11-Ketocyclopamine

>  <Target> (135)
Hedgehog/Smoothened

>  <Form> (135)
free base

>  <CAS> (135)
469-59-0

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

$$$$
S3728 Grazoprevir.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (136)
1765

>  <Formula> (136)
C38H50N6O9S

>  <MolWeight> (136)
766.9034

>  <Cat> (136)
S3728

>  <Name> (136)
Grazoprevir

>  <Synonyms> (136)
MK5172

>  <Target> (136)
HCV Protease

>  <Form> (136)
free base

>  <CAS> (136)
1350514-68-9

>  <URL> (136)
http://selleckchem.com/products/grazoprevir.html

$$$$
S3725 ELR-510444.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (137)
1766

>  <Formula> (137)
C19H16N2O2S2

>  <MolWeight> (137)
368.47254

>  <Cat> (137)
S3725

>  <Name> (137)
ELR-510444

>  <Synonyms> (137)
N/A

>  <Target> (137)
Microtubule Associated

>  <Form> (137)
free base

>  <CAS> (137)
1233948-35-0

>  <URL> (137)
http://selleckchem.com/products/elr-510444.html

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/06282413142D

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    0.0000    5.4124    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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M  END
>  <Mol_ID> (138)
1774

>  <Formula> (138)
C11H12N4O3S

>  <MolWeight> (138)
280.30298

>  <Cat> (138)
S3644

>  <Name> (138)
Sulfamonomethoxine

>  <Synonyms> (138)
N/A

>  <Target> (138)
Bacterial

>  <Form> (138)
free base

>  <CAS> (138)
1220-83-3

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

$$$$
S3727 Vilanterol Trifenate.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (139)
1778

>  <Formula> (139)
C44H49Cl2NO7

>  <MolWeight> (139)
774.76836

>  <Cat> (139)
S3727

>  <Name> (139)
Vilanterol Trifenate

>  <Synonyms> (139)
GW642444M Trifenate

>  <Target> (139)
Adrenergic Receptor

>  <Form> (139)
trifenatate

>  <CAS> (139)
503070-58-4

>  <URL> (139)
http://selleckchem.com/products/vilanterol-trifenate.html

$$$$
S3714 Lifitegrast.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (140)
1792

>  <Formula> (140)
C29H24Cl2N2O7S

>  <MolWeight> (140)
615.48106

>  <Cat> (140)
S3714

>  <Name> (140)
Lifitegrast

>  <Synonyms> (140)
SAR1118,SHP-606

>  <Target> (140)
Integrin

>  <Form> (140)
free base

>  <CAS> (140)
1025967-78-5

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

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/06282413142D

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    0.0000    3.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858    9.6243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  5  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  1  0  0  0
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  3 12  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  2  0  0  0  0
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 27 32  1  0  0  0  0
 29 37  1  0  0  0  0
  9 27  1  0  0  0  0
  1 38  1  1  0  0  0
  5 39  1  1  0  0  0
M  END
>  <Mol_ID> (141)
1811

>  <Formula> (141)
C27H45N5O5

>  <MolWeight> (141)
519.6767

>  <Cat> (141)
S3733

>  <Name> (141)
Boceprevir

>  <Synonyms> (141)
EBP 520, SCH 503034

>  <Target> (141)
COVID-19,HCV Protease

>  <Form> (141)
free base

>  <CAS> (141)
394730-60-0

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

$$$$
Colchicine.cdx
csChFnd80/06282413142D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6958    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3289    0.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1165    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3289    4.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5371    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.2729    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  6 24  1  0  0  0  0
  5 25  1  0  0  0  0
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 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
M  END
>  <Mol_ID> (142)
1823

>  <Formula> (142)
C22H25NO6

>  <MolWeight> (142)
399.437

>  <Cat> (142)
S2284

>  <Name> (142)
Colchicine (NSC 757)

>  <Synonyms> (142)
Colchineos, Colchisol, Colcin,NSC 757

>  <Target> (142)
Microtubule Associated

>  <Form> (142)
free base

>  <CAS> (142)
64-86-8

>  <URL> (142)
http://selleckchem.com/products/colchicine.html

$$$$
10058-F4.cdx
csChFnd80/06282413142D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2653    3.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.0621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1591    1.1669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    3.1676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  9  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
  7 16  1  0  0  0  0
M  END
>  <Mol_ID> (143)
1976

>  <Formula> (143)
C12H11NOS2

>  <MolWeight> (143)
249.35184

>  <Cat> (143)
S7153

>  <Name> (143)
10058-F4

>  <Synonyms> (143)
N/A

>  <Target> (143)
Apoptosis related,Autophagy,Myc

>  <Form> (143)
free base

>  <CAS> (143)
403811-55-2

>  <URL> (143)
http://selleckchem.com/products/10058-f4.html

$$$$
LDK378.cdx
csChFnd80/06282413142D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2040    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7406    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  2  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (144)
1986

>  <Formula> (144)
C28H36ClN5O3S

>  <MolWeight> (144)
558.13514

>  <Cat> (144)
S7083

>  <Name> (144)
Ceritinib (LDK378)

>  <Synonyms> (144)
N/A

>  <Target> (144)
ALK,FLT3,IGF-1R,Serine/threonin kinase

>  <Form> (144)
free base

>  <CAS> (144)
1032900-25-6

>  <URL> (144)
http://selleckchem.com/products/ldk378.html

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/06282413142D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    5.7917    5.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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  7 15  1  6  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (145)
2016

>  <Formula> (145)
C21H20O8

>  <MolWeight> (145)
400.3787

>  <Cat> (145)
S2254

>  <Name> (145)
4-Demethylepipodophyllotoxin(NSC-122819,VM-26)

>  <Synonyms> (145)
DMEP

>  <Target> (145)
Microtubule Associated

>  <Form> (145)
free base

>  <CAS> (145)
6559-91-7

>  <URL> (145)
http://selleckchem.com/products/4-Demethylepipodophyllotoxin.html

$$$$
S4935 Asunaprevir.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (146)
2113

>  <Formula> (146)
C35H46ClN5O9S

>  <MolWeight> (146)
748.28584

>  <Cat> (146)
S4935

>  <Name> (146)
Asunaprevir (BMS-650032)

>  <Synonyms> (146)
BMS-650032

>  <Target> (146)
HCV Protease

>  <Form> (146)
free base

>  <CAS> (146)
630420-16-5

>  <URL> (146)
http://selleckchem.com/products/asunaprevir.html

$$$$
S5015 Simeprevir.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (147)
2115

>  <Formula> (147)
C38H47N5O7S2

>  <MolWeight> (147)
749.93908

>  <Cat> (147)
S5015

>  <Name> (147)
Simeprevir (TMC435)

>  <Synonyms> (147)
TMC-435350

>  <Target> (147)
HCV Protease

>  <Form> (147)
free base

>  <CAS> (147)
923604-59-5

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

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/06282413142D

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 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (148)
2131

>  <Formula> (148)
C17H26ClNO

>  <MolWeight> (148)
295.84744

>  <Cat> (148)
S4877

>  <Name> (148)
Eperisone hydrochloride

>  <Synonyms> (148)
N/A

>  <Target> (148)
Others

>  <Form> (148)
hydrochloride

>  <CAS> (148)
56839-43-1

>  <URL> (148)
http://selleckchem.com/products/eperisone-hydrochloride.html

$$$$
S4878 Neticonazole Hydrochloride.cdx
csChFnd80/06282413142D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.0922    6.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    4.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2358    4.9465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8731    4.2465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2358    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482    0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6607    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7228    2.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9353    2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0855    4.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8843    0.0000    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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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (149)
2132

>  <Formula> (149)
C17H23ClN2OS

>  <MolWeight> (149)
338.89532

>  <Cat> (149)
S4878

>  <Name> (149)
Neticonazole Hydrochloride

>  <Synonyms> (149)
N/A

>  <Target> (149)
Fungal

>  <Form> (149)
hydrochloride

>  <CAS> (149)
130773-02-3

>  <URL> (149)
http://selleckchem.com/products/neticonazole-hydrochloride.html

$$$$
S4837 Ibudilast.cdx
csChFnd80/06282413142D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7716    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928    3.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784    0.2933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904    4.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570    5.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6904    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7072    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9388    5.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3634    3.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100    0.6909    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
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (150)
2136

>  <Formula> (150)
C14H18N2O

>  <MolWeight> (150)
230.30552

>  <Cat> (150)
S4837

>  <Name> (150)
Ibudilast

>  <Synonyms> (150)
KC-404, AV411, MN166

>  <Target> (150)
PDE

>  <Form> (150)
free base

>  <CAS> (150)
50847-11-5

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

$$$$
S4976 Sulfalene(SMPZ).cdx
csChFnd80/06282413142D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6195    7.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    5.6116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    7.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    7.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    4.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    9.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    9.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    9.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (151)
2208

>  <Formula> (151)
C11H12N4O3S

>  <MolWeight> (151)
280.30298

>  <Cat> (151)
S4976

>  <Name> (151)
Sulfalene (SMPZ)

>  <Synonyms> (151)
Butadiene sulfone, 3-Sulfolene

>  <Target> (151)
Others

>  <Form> (151)
free base

>  <CAS> (151)
152-47-6

>  <URL> (151)
http://selleckchem.com/products/sulfalene-smpz.html

$$$$
S3970 Vindoline.cdx
csChFnd80/06282413142D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.9216    5.7632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.9216    4.4617    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6935    5.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8021    7.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3152    5.7798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1403    7.8702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1239    3.7227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8131    3.8164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6935    4.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    6.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9216    8.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (152)
2219

>  <Formula> (152)
C25H32N2O6

>  <MolWeight> (152)
456.53138

>  <Cat> (152)
S3970

>  <Name> (152)
Vindoline

>  <Synonyms> (152)
N/A

>  <Target> (152)
Microtubule Associated

>  <Form> (152)
free base

>  <CAS> (152)
2182-14-1

>  <URL> (152)
http://selleckchem.com/products/vindoline.html

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/06282413142D

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.3521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (153)
2222

>  <Formula> (153)
C18H34Cl2N2O5S

>  <MolWeight> (153)
461.44396

>  <Cat> (153)
S2457

>  <Name> (153)
Clindamycin HCl

>  <Synonyms> (153)
N/A

>  <Target> (153)
Bacterial

>  <Form> (153)
Hydrochloride

>  <CAS> (153)
21462-39-5

>  <URL> (153)
http://selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

$$$$
untitled.cdx
csChFnd80/06282413142D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6827    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (154)
2237

>  <Formula> (154)
C22H24BrFN4O2

>  <MolWeight> (154)
475.3539632

>  <Cat> (154)
S1046

>  <Name> (154)
Vandetanib (ZD6474)

>  <Synonyms> (154)
ZD6474

>  <Target> (154)
Apoptosis related,Autophagy,EGFR,ROS,VEGFR

>  <Form> (154)
free base

>  <CAS> (154)
443913-73-3

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

$$$$
untitled.cdx
csChFnd80/06282413142D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  1  5  1  0  0  0  0
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  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (155)
2241

>  <Formula> (155)
C21H46NO4P

>  <MolWeight> (155)
407.568001

>  <Cat> (155)
S3056

>  <Name> (155)
Miltefosine

>  <Synonyms> (155)
Hexadecylphosphocholine

>  <Target> (155)
Akt

>  <Form> (155)
free base

>  <CAS> (155)
58066-85-6

>  <URL> (155)
http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
Amikacin sulfate.cdx
csChFnd80/06282413142D

 50 50  0  0  0  0  0  0  0  0999 V2000
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    6.2902    9.3886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (156)
2247

>  <Formula> (156)
C22H47N5O21S2

>  <MolWeight> (156)
781.75948

>  <Cat> (156)
S3065

>  <Name> (156)
Amikacin disulfate

>  <Synonyms> (156)
BB-K8

>  <Target> (156)
Bacterial

>  <Form> (156)
Sulfate

>  <CAS> (156)
39831-55-5

>  <URL> (156)
http://selleckchem.com/products/amikacin-sulfate.html

$$$$
Plerixafor.cdx
csChFnd80/06282413142D

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PI3K

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free base

>  <CAS> (158)
1201438-56-3

>  <URL> (158)
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>  <Mol_ID> (159)
2290

>  <Formula> (159)
C45H50ClN7O7S

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>  <Name> (159)
Venetoclax (ABT-199)

>  <Synonyms> (159)
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>  <Target> (159)
Autophagy,Bcl-2

>  <Form> (159)
free base

>  <CAS> (159)
1257044-40-8

>  <URL> (159)
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    8.8758    2.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592    3.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392    3.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3796   11.6846    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7741    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0652    3.5396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1251    2.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8275    1.2790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2017    1.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5610    5.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9859    3.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2581    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7734    1.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.4107    5.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8356    3.6682    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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  4  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
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 56 58  1  0  0  0  0
M  END
>  <Mol_ID> (160)
2291

>  <Formula> (160)
C42H56F2N8O6

>  <MolWeight> (160)
806.9408464

>  <Cat> (160)
S7015

>  <Name> (160)
Birinapant (TL32711)

>  <Synonyms> (160)
TL32711

>  <Target> (160)
Apoptosis related,HIV,IAP

>  <Form> (160)
free base

>  <CAS> (160)
1260251-31-7

>  <URL> (160)
http://selleckchem.com/products/birinapant-tl32711.html

$$$$
(+)-JQ1.cdx
csChFnd80/06282413142D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.9352    9.3659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4126    7.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3320    9.2213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1573    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3467    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5667    6.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6391    8.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6266    9.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446    7.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375    7.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10  4  1  0  0  0  0
  2 11  1  0  0  0  0
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 14  7  1  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 10 24  1  6  0  0  0
M  END
>  <Mol_ID> (161)
2296

>  <Formula> (161)
C23H25ClN4O2S

>  <MolWeight> (161)
456.9882

>  <Cat> (161)
S7110

>  <Name> (161)
(+)-JQ1

>  <Synonyms> (161)
N/A

>  <Target> (161)
Autophagy,Epigenetic Reader Domain,NSD,Target Protein Ligand

>  <Form> (161)
free base

>  <CAS> (161)
1268524-70-4

>  <URL> (161)
http://selleckchem.com/products/jq1.html

$$$$
Embelin.cdx
csChFnd80/06282413142D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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    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    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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (162)
2315

>  <Formula> (162)
C17H26O4

>  <MolWeight> (162)
294.38594

>  <Cat> (162)
S7025

>  <Name> (162)
Embelin

>  <Synonyms> (162)
Embelic Acid, NSC 91874

>  <Target> (162)
Antineoplastic and Immunosuppressive Antibiotics,IAP

>  <Form> (162)
free base

>  <CAS> (162)
550-24-3

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

$$$$
Sodium orthovanadate.cdx
csChFnd80/06282413142D

  8  4  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.0951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    2.0951    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.0951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4780    1.1175    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0780    1.1175    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.7780   -0.2825    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (163)
2368

>  <Formula> (163)
Na3O4V

>  <MolWeight> (163)
183.90841

>  <Cat> (163)
S2000

>  <Name> (163)
Sodium orthovanadate

>  <Synonyms> (163)
N/A

>  <Target> (163)
ATPase

>  <Form> (163)
Sodium Salt

>  <CAS> (163)
13721-39-6

>  <URL> (163)
http://selleckchem.com/products/Sodium-orthovanadate.html

$$$$
Flubendazole.cdx
csChFnd80/06282413142D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5573    2.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9496    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5190    3.6954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6472    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0423    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    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  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
  4 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  4  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (164)
2407

>  <Formula> (164)
C16H12FN3O3

>  <MolWeight> (164)
313.2831832

>  <Cat> (164)
S1837

>  <Name> (164)
Flubendazole

>  <Synonyms> (164)
Flumoxanal, NSC 313680

>  <Target> (164)
Autophagy,Parasite

>  <Form> (164)
free base

>  <CAS> (164)
31430-15-6

>  <URL> (164)
http://selleckchem.com/products/flubendazole-flutelmium.html

$$$$
Nefopam HCl.cdx
csChFnd80/06282413142D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    1.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    1.2889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    2.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    3.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    4.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    4.6688    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (165)
2420

>  <Formula> (165)
C17H20ClNO

>  <MolWeight> (165)
289.7998

>  <Cat> (165)
S4180

>  <Name> (165)
Nefopam HCl

>  <Synonyms> (165)
Fenazoxine hydrochloride

>  <Target> (165)
Sodium Channel

>  <Form> (165)
Hydrochloride

>  <CAS> (165)
23327-57-3

>  <URL> (165)
http://selleckchem.com/products/nefopam-hcl.html

$$$$
GDC-0152.cdx
csChFnd80/06282413142D

 35 38  0  0  0  0  0  0  0  0999 V2000
   10.7475    8.9928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4475   10.2052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8169    9.9141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9632    8.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6842    7.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1756    7.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3880    8.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6005    7.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6005    6.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3880    5.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
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 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 31 35  1  1  0  0  0
M  END
>  <Mol_ID> (166)
2429

>  <Formula> (166)
C25H34N6O3S

>  <MolWeight> (166)
498.64086

>  <Cat> (166)
S7010

>  <Name> (166)
GDC-0152

>  <Synonyms> (166)
N/A

>  <Target> (166)
IAP

>  <Form> (166)
free base

>  <CAS> (166)
873652-48-3

>  <URL> (166)
http://selleckchem.com/products/gdc-0152.html

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/06282413142D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6953    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (167)
2477

>  <Formula> (167)
C25H29N3O3

>  <MolWeight> (167)
419.51606

>  <Cat> (167)
S7912

>  <Name> (167)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (167)
N/A

>  <Target> (167)
PD-1/PD-L1

>  <Form> (167)
free base

>  <CAS> (167)
1675203-84-5

>  <URL> (167)
http://selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
MCB-613.cdx
csChFnd80/06282413142D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (168)
2481

>  <Formula> (168)
C20H20N2O

>  <MolWeight> (168)
304.3856

>  <Cat> (168)
S7913

>  <Name> (168)
MCB-613

>  <Synonyms> (168)
N/A

>  <Target> (168)
ROS

>  <Form> (168)
free base

>  <CAS> (168)
1162656-22-5

>  <URL> (168)
http://selleckchem.com/products/mcb-613.html

$$$$
14028-44-5.cdx
csChFnd80/06282413142D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (169)
2540

>  <Formula> (169)
C17H16ClN3O

>  <MolWeight> (169)
313.78144

>  <Cat> (169)
S4218

>  <Name> (169)
Amoxapine

>  <Synonyms> (169)
CL 67772,Asendin

>  <Target> (169)
Amino acid transporter,GlyT

>  <Form> (169)
free base

>  <CAS> (169)
14028-44-5

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

$$$$
NSC 405020.cdx
csChFnd80/06282413142D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    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
  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
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (170)
2542

>  <Formula> (170)
C12H15Cl2NO

>  <MolWeight> (170)
260.1596

>  <Cat> (170)
S8072

>  <Name> (170)
NSC 405020

>  <Synonyms> (170)
N/A

>  <Target> (170)
MMP

>  <Form> (170)
free base

>  <CAS> (170)
7497-07-6

>  <URL> (170)
http://selleckchem.com/products/nsc-405020.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/06282413142D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    5.5879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6204    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8286    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2081    5.5927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    9.7854    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 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
 21 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (171)
2553

>  <Formula> (171)
C17H15BrF2N4O3

>  <MolWeight> (171)
441.2268064

>  <Cat> (171)
S7007

>  <Name> (171)
Binimetinib (MEK162)

>  <Synonyms> (171)
ARRY-162,ARRY-438162

>  <Target> (171)
Apoptosis related,Autophagy,MEK

>  <Form> (171)
free base

>  <CAS> (171)
606143-89-9

>  <URL> (171)
http://selleckchem.com/products/mek162.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/06282413142D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.9828    8.5482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3458    8.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8959    7.0133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2232    5.6454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8409    5.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8092    6.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757    5.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    6.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4009    7.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    8.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2352   10.4452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1022    9.3524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9841   10.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545   10.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827    5.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4622    4.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1056    3.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7346    2.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0720    1.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4446    3.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3383    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1125    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5374    7.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    5.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7498    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9623    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  2  0  0  0  0
  6  8  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 18 23  2  0  0  0  0
 21 24  1  0  0  0  0
  5 18  1  0  0  0  0
  3 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (172)
2559

>  <Formula> (172)
C22H22ClN5O2

>  <MolWeight> (172)
423.89538

>  <Cat> (172)
S7189

>  <Name> (172)
Molibresib (I-BET-762)

>  <Synonyms> (172)
GSK525762, GSK525762A

>  <Target> (172)
Epigenetic Reader Domain

>  <Form> (172)
free base

>  <CAS> (172)
1260907-17-2

>  <URL> (172)
http://selleckchem.com/products/i-bet-762.html

$$$$

csChFnd80/06282413142D

 29 28  0  0  0  0  0  0  0  0999 V2000
    3.3123    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123    3.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4194    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    5.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4194    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3509    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1219    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1194    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.1386    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4248    1.6509    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    8.2193    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5169    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241    2.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2193    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3265    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6240    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5193    5.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7264    3.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3240    5.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1195    5.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7239    5.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5334    0.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
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 20 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (173)
2561

>  <Formula> (173)
C18H19Na2O8P

>  <MolWeight> (173)
440.291961

>  <Cat> (173)
S7204

>  <Name> (173)
Fosbretabulin (Combretastatin A4 Phosphate (CA4P)) Disodium

>  <Synonyms> (173)
CA 4DP

>  <Target> (173)
Apoptosis related,Microtubule Associated

>  <Form> (173)
Disodium salt

>  <CAS> (173)
168555-66-6

>  <URL> (173)
http://selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-disodium-ca4p-disodium.html

$$$$
Bardoxolone Methyl.cdx
csChFnd80/06282413142D

 40 44  0  0  0  0  0  0  0  0999 V2000
    9.7022    7.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157    8.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1271    7.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1251    5.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9136    5.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9095    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1310    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1310    3.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3302    5.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2106    1.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7325    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
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 20 26  2  0  0  0  0
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 17 28  1  1  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
 33 34  3  0  0  0  0
 15 33  1  0  0  0  0
 25 35  1  0  0  0  0
  9 36  1  1  0  0  0
  8 37  1  6  0  0  0
 22 38  1  1  0  0  0
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 12 40  1  6  0  0  0
M  END
>  <Mol_ID> (174)
2577

>  <Formula> (174)
C32H43NO4

>  <MolWeight> (174)
505.68812

>  <Cat> (174)
S8078

>  <Name> (174)
Bardoxolone Methyl

>  <Synonyms> (174)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester, CDDO-Me

>  <Target> (174)
Apoptosis related,Autophagy,Ferroptosis,I¦ÊB/IKK,NF-¦ÊB,Nrf2

>  <Form> (174)
free base

>  <CAS> (174)
218600-53-4

>  <URL> (174)
http://selleckchem.com/products/bardoxolone-methyl.html

$$$$
benzthiazide.cdx
csChFnd80/06282413142D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.9103    3.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9103    1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2405    3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
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  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
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 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (175)
2596

>  <Formula> (175)
C15H14ClN3O4S3

>  <MolWeight> (175)
431.93736

>  <Cat> (175)
S4308

>  <Name> (175)
Benzthiazide

>  <Synonyms> (175)
Benzothiazide

>  <Target> (175)
Others

>  <Form> (175)
Free Base

>  <CAS> (175)
91-33-8

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

$$$$
isoxicam.cdx
csChFnd80/06282413142D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1769    0.0000 C   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
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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
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  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
  8 21  1  0  0  0  0
  7 22  2  0  0  0  0
  7 23  2  0  0  0  0
M  END
>  <Mol_ID> (176)
2614

>  <Formula> (176)
C14H13N3O5S

>  <MolWeight> (176)
335.33512

>  <Cat> (176)
S4398

>  <Name> (176)
Isoxicam

>  <Synonyms> (176)
N/A

>  <Target> (176)
Others

>  <Form> (176)
Free Base

>  <CAS> (176)
34552-84-6

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

$$$$
metaproterenol sulfate(orciprenaline sulfate).cdx
csChFnd80/06282413142D

 35 34  0  0  0  0  0  0  0  0999 V2000
    1.2712   10.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7056    9.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960   10.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788   11.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732    8.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9228    8.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 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
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (177)
2618

>  <Formula> (177)
C22H36N2O10S

>  <MolWeight> (177)
520.59364

>  <Cat> (177)
S4335

>  <Name> (177)
Metaproterenol Sulfate

>  <Synonyms> (177)
Orciprenaline Sulfate

>  <Target> (177)
Others

>  <Form> (177)
sulfate

>  <CAS> (177)
5874-97-5

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

$$$$
terfenadine.cdx
csChFnd80/06282413142D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (178)
2635

>  <Formula> (178)
C32H41NO2

>  <MolWeight> (178)
471.67344

>  <Cat> (178)
S4353

>  <Name> (178)
Terfenadine

>  <Synonyms> (178)
N/A

>  <Target> (178)
Calcium Channel,Caspase,Histamine Receptor,NCX,Potassium Channel

>  <Form> (178)
Free Base

>  <CAS> (178)
50679-08-8

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

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (179)
2643

>  <Formula> (179)
C20H22N2O5

>  <MolWeight> (179)
370.39908

>  <Cat> (179)
S7295

>  <Name> (179)
Apabetalone (RVX-208)

>  <Synonyms> (179)
RVX-000222

>  <Target> (179)
Epigenetic Reader Domain

>  <Form> (179)
free base

>  <CAS> (179)
1044870-39-4

>  <URL> (179)
http://selleckchem.com/products/rvx-208.html

$$$$
Sorafenib.cdx
csChFnd80/06282413142D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (180)
2661

>  <Formula> (180)
C21H16ClF3N4O3

>  <MolWeight> (180)
464.8249496

>  <Cat> (180)
S7397

>  <Name> (180)
Sorafenib (BAY 43-9006)

>  <Synonyms> (180)
NSC-724772,BAY 43-9006

>  <Target> (180)
Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR

>  <Form> (180)
Free Base

>  <CAS> (180)
284461-73-0

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

$$$$
TG003.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (181)
2665

>  <Formula> (181)
C13H15NO2S

>  <MolWeight> (181)
249.3287

>  <Cat> (181)
S7320

>  <Name> (181)
TG003

>  <Synonyms> (181)
N/A

>  <Target> (181)
CDK

>  <Form> (181)
free base

>  <CAS> (181)
300801-52-9

>  <URL> (181)
http://selleckchem.com/products/tg003.html

$$$$
LM-3162.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (182)
2688

>  <Formula> (182)
C18H12Cl2N4O4S

>  <MolWeight> (182)
451.28328

>  <Cat> (182)
S7369

>  <Name> (182)
4EGI-1

>  <Synonyms> (182)
N/A

>  <Target> (182)
Apoptosis related,eIF,mTOR

>  <Form> (182)
free base

>  <CAS> (182)
315706-13-9

>  <URL> (182)
http://selleckchem.com/products/4egi-1.html

$$$$
LEE011-2.cdx
csChFnd80/06282413142D

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Ribociclib (LEE011)

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>  <Target> (183)
CDK

>  <Form> (183)
free base

>  <CAS> (183)
1211441-98-3

>  <URL> (183)
http://selleckchem.com/products/lee011.html

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>  <MolWeight> (184)
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CK-636

>  <Synonyms> (184)
CK-0944636

>  <Target> (184)
Actin,Microtubule Associated

>  <Form> (184)
free base

>  <CAS> (184)
442632-72-6

>  <URL> (184)
http://selleckchem.com/products/ck-636.html

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>  <Formula> (185)
C28H18N2O6

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4E1RCat

>  <Synonyms> (185)
N/A

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eIF

>  <Form> (185)
free base

>  <CAS> (185)
328998-25-0

>  <URL> (185)
http://selleckchem.com/products/4e1rcat.html

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>  <MolWeight> (186)
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>  <Name> (186)
Birabresib (OTX015)

>  <Synonyms> (186)
MK 8628

>  <Target> (186)
Epigenetic Reader Domain,NSD

>  <Form> (186)
free base

>  <CAS> (186)
202590-98-5

>  <URL> (186)
http://selleckchem.com/products/otx015.html

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>  <Mol_ID> (187)
2733

>  <Formula> (187)
C32H43N5O2

>  <MolWeight> (187)
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>  <Cat> (187)
S7088

>  <Name> (187)
UNC1215

>  <Synonyms> (187)
N/A

>  <Target> (187)
Epigenetic Reader Domain

>  <Form> (187)
free base

>  <CAS> (187)
1415800-43-9

>  <URL> (187)
http://selleckchem.com/products/nuc1215.html

$$$$
LM-3093 AZD9291.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (188)
2734

>  <Formula> (188)
C28H33N7O2

>  <MolWeight> (188)
499.60732

>  <Cat> (188)
S7297

>  <Name> (188)
Osimertinib (AZD9291)

>  <Synonyms> (188)
Mereletinib

>  <Target> (188)
EGFR

>  <Form> (188)
free base

>  <CAS> (188)
1421373-65-0

>  <URL> (188)
http://selleckchem.com/products/azd9291.html

$$$$
INH1.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (189)
2759

>  <Formula> (189)
C18H16N2OS

>  <MolWeight> (189)
308.39744

>  <Cat> (189)
S7493

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INH1

>  <Synonyms> (189)
IBT 13131

>  <Target> (189)
Microtubule Associated

>  <Form> (189)
free base

>  <CAS> (189)
313553-47-8

>  <URL> (189)
http://selleckchem.com/products/inh1.html

$$$$
INH6.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (190)
2769

>  <Formula> (190)
C19H18N2OS

>  <MolWeight> (190)
322.42402

>  <Cat> (190)
S7494

>  <Name> (190)
INH6

>  <Synonyms> (190)
N/A

>  <Target> (190)
Microtubule Associated

>  <Form> (190)
free base

>  <CAS> (190)
1001753-24-7

>  <URL> (190)
http://selleckchem.com/products/inh6.html

$$$$
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M  END
>  <Mol_ID> (191)
2777

>  <Formula> (191)
C19H18ClN5OS

>  <MolWeight> (191)
399.89712

>  <Cat> (191)
S7304

>  <Name> (191)
CPI-203

>  <Synonyms> (191)
N/A

>  <Target> (191)
Epigenetic Reader Domain

>  <Form> (191)
free base

>  <CAS> (191)
1446144-04-2

>  <URL> (191)
http://selleckchem.com/products/cpi-203.html

$$$$
Pepstatin A.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (192)
2789

>  <Formula> (192)
C34H63N5O9

>  <MolWeight> (192)
685.89212

>  <Cat> (192)
S7381

>  <Name> (192)
Pepstatin A

>  <Synonyms> (192)
Pepstatin

>  <Target> (192)
Autophagy,Cysteine Protease,HIV Protease

>  <Form> (192)
free base

>  <CAS> (192)
26305-03-3

>  <URL> (192)
http://selleckchem.com/products/pepstatin-a.html

$$$$
deltarasin.cdx
csChFnd80/06282413142D

 46 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (193)
2805

>  <Formula> (193)
C40H37N5O

>  <MolWeight> (193)
603.75468

>  <Cat> (193)
S7224

>  <Name> (193)
Deltarasin

>  <Synonyms> (193)
N/A

>  <Target> (193)
PDE,Ras

>  <Form> (193)
free base

>  <CAS> (193)
1440898-61-2

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

$$$$
LCL161.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (194)
2827

>  <Formula> (194)
C26H33FN4O3S

>  <MolWeight> (194)
500.6286232

>  <Cat> (194)
S7009

>  <Name> (194)
LCL161

>  <Synonyms> (194)
N/A

>  <Target> (194)
IAP,Mitochondrial Metabolism

>  <Form> (194)
free base

>  <CAS> (194)
1005342-46-0

>  <URL> (194)
http://selleckchem.com/products/lcl161.html

$$$$
MI-3.cdx
csChFnd80/06282413142D

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  4  7  1  0  0  0  0
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  3 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
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M  END
>  <Mol_ID> (195)
2841

>  <Formula> (195)
C18H25N5S2

>  <MolWeight> (195)
375.5546

>  <Cat> (195)
S7619

>  <Name> (195)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (195)
N/A

>  <Target> (195)
Histone Methyltransferase,MLL

>  <Form> (195)
free base

>  <CAS> (195)
1271738-59-0

>  <URL> (195)
http://selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
Heparin sodium.cdx
csChFnd80/06282413142D

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    0.5691    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (196)
2848

>  <Formula> (196)
C33H47N3O39R4S6-8

>  <MolWeight> (196)
1302.11298

>  <Cat> (196)
S1346

>  <Name> (196)
Heparin sodium

>  <Synonyms> (196)
N/A

>  <Target> (196)
Autophagy,Factor Xa,Thrombin

>  <Form> (196)
Sodium salt

>  <CAS> (196)
9041-08-1

>  <URL> (196)
http://selleckchem.com/products/Heparin-sodium.html

$$$$
Nutlin-3b.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (197)
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>  <Formula> (197)
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>  <MolWeight> (197)
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>  <Cat> (197)
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Nutlin-3b

>  <Synonyms> (197)
(+)-Nutlin-3

>  <Target> (197)
MDM2/MDMX

>  <Form> (197)
free base

>  <CAS> (197)
675576-97-3

>  <URL> (197)
http://selleckchem.com/products/nutlin-3b.html

$$$$
RG7388.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (198)
2862

>  <Formula> (198)
C31H29Cl2F2N3O4

>  <MolWeight> (198)
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>  <Cat> (198)
S7205

>  <Name> (198)
Idasanutlin (RG-7388)

>  <Synonyms> (198)
N/A

>  <Target> (198)
MDM2/MDMX

>  <Form> (198)
free base

>  <CAS> (198)
1229705-06-9

>  <URL> (198)
http://selleckchem.com/products/idasanutlin-rg-7388.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/06282413142D

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>  <Mol_ID> (199)
2865

>  <Formula> (199)
C18H25N5S2

>  <MolWeight> (199)
375.5546

>  <Cat> (199)
S7618

>  <Name> (199)
MI-2 (Menin-MLL Inhibitor)

>  <Synonyms> (199)
N/A

>  <Target> (199)
Histone Methyltransferase,MLL

>  <Form> (199)
free base

>  <CAS> (199)
1271738-62-5

>  <URL> (199)
http://selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
3469-LCZ696.cdx
csChFnd80/06282413142D

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   20.7884    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1511    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8721   10.3694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9354    9.3290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6354    8.1166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0048    8.4077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5760    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7884    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7884    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0008    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2133    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0008    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4257    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0008    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5760    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3635    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2133    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0008    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6381    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8506    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2598   21.4976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.5037   21.4976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.3817   11.7415    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   26.4549    8.5707    0.0000 R   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
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 13 15  1  0  0  0  0
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 11 17  1  1  0  0  0
  9 18  1  1  0  0  0
 18 19  1  0  0  0  0
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  7 26  2  0  0  0  0
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 30  7  1  0  0  0  0
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 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  2  0  0  0  0
 52 54  1  0  0  0  0
 50 55  1  0  0  0  0
 50 56  1  1  0  0  0
 56 57  1  0  0  0  0
 56 58  2  0  0  0  0
 55 59  1  0  0  0  0
 55 60  1  0  0  0  0
 54 61  1  0  0  0  0
 61 62  1  0  0  0  0
A   66
5/2H2O
M  END
>  <Mol_ID> (200)
2866

>  <Formula> (200)
C48H58N6Na3O8R+3

>  <MolWeight> (200)
915.97883

>  <Cat> (200)
S7678

>  <Name> (200)
Sacubitril/valsartan (LCZ696)

>  <Synonyms> (200)
Sacubitril, Valsartan

>  <Target> (200)
Angiotensin Receptor,Apoptosis related,Neprilysin

>  <Form> (200)
Sodium salt hydrate

>  <CAS> (200)
936623-90-4

>  <URL> (200)
http://selleckchem.com/products/lcz696.html

$$$$
PF-06463922.cdx
csChFnd80/06282413142D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.0363    2.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7402    2.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7327    3.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0988    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7407    6.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7533    7.2456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4028    7.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0569    6.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6909    4.9157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0489    3.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    9.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7055    6.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3498    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    8.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9040    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3609    3.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144    0.2770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3438    3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9730    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0410    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 15 17  1  0  0  0  0
  6 18  1  0  0  0  0
 10 19  1  6  0  0  0
  3 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  4  2  0  0  0  0
  1 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25  2  1  0  0  0  0
  2 26  2  0  0  0  0
 26  1  1  0  0  0  0
 23 27  1  0  0  0  0
 21 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  3  0  0  0  0
M  END
>  <Mol_ID> (201)
2867

>  <Formula> (201)
C21H19FN6O2

>  <MolWeight> (201)
406.4129632

>  <Cat> (201)
S7536

>  <Name> (201)
Lorlatinib?(PF-6463922)

>  <Synonyms> (201)
N/A

>  <Target> (201)
ALK,Apoptosis related,ROS1

>  <Form> (201)
free base

>  <CAS> (201)
1454846-35-5

>  <URL> (201)
http://selleckchem.com/products/pf-06463922.html

$$$$
Ledipasvir (GS5885) .cdx
csChFnd80/06282413142D

 65 74  0  0  0  0  0  0  0  0999 V2000
    9.6210    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2197    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5191    7.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8246    6.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5253    7.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8246    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4234    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9216    7.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1228    7.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6277    6.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0234    6.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7241    7.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0234    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6222    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0998    8.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2345    9.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9662   10.2009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4438   10.3474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2992    9.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    8.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3100    6.7751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5057    6.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0222   10.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0990   11.1397    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9426   11.1421    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.6547    9.6589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.8659   10.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8527   11.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6326   12.4688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.4236   11.7474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2827   11.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2143   12.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2143   13.8383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0019   11.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4220   14.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0034   14.5373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4220   15.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5357    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 17 20  1  0  0  0  0
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 22 18  1  0  0  0  0
 23 21  1  1  0  0  0
 14 24  2  0  0  0  0
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 27 14  1  0  0  0  0
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 31 33  1  0  0  0  0
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 12 35  1  0  0  0  0
 35  1  1  0  0  0  0
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 42 23  1  0  0  0  0
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 38 43  1  1  0  0  0
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 45 44  1  1  0  0  0
 44 46  2  0  0  0  0
 45 47  1  0  0  0  0
 45 48  1  0  0  0  0
 47 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 32 55  1  0  0  0  0
 55 56  2  0  0  0  0
 57 55  1  6  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  1  0  0  0  0
 58 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 62 65  2  0  0  0  0
M  END
>  <Mol_ID> (202)
2869

>  <Formula> (202)
C49H54F2N8O6

>  <MolWeight> (202)
888.9998664

>  <Cat> (202)
S7579

>  <Name> (202)
Ledipasvir (GS5885)

>  <Synonyms> (202)
N/A

>  <Target> (202)
COVID-19,HCV Protease

>  <Form> (202)
free base

>  <CAS> (202)
1256388-51-8

>  <URL> (202)
http://selleckchem.com/products/ledipasvir-gs5885.html

$$$$
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free base

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1300031-52-0

>  <URL> (203)
http://selleckchem.com/products/gsk1324726a-i-bet726.html

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Defactinib (VS-6063)

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PF-04554878

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FAK

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free base

>  <CAS> (204)
1073154-85-4

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

$$$$
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free base

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1334921-03-7

>  <URL> (205)
http://selleckchem.com/products/tai-1.html

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1395084-25-9

>  <URL> (206)
http://selleckchem.com/products/ms436.html

$$$$
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S7766

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Cabotegravir (GSK1265744)

>  <Synonyms> (207)
GSK744, S/GSK1265744

>  <Target> (207)
Integrase

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free base

>  <CAS> (207)
1051375-10-0

>  <URL> (207)
http://selleckchem.com/products/cabotegravir-gsk744-gsk1265744.html

$$$$
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csChFnd80/06282413142D

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>  <Mol_ID> (208)
2932

>  <Formula> (208)
C43H59NO17

>  <MolWeight> (208)
861.92506

>  <Cat> (208)
S7787

>  <Name> (208)
Docetaxel Trihydrate

>  <Synonyms> (208)
RP56976 (NSC 628503) Trihydrate

>  <Target> (208)
Microtubule Associated

>  <Form> (208)
Trihydrate

>  <CAS> (208)
148408-66-6

>  <URL> (208)
http://selleckchem.com/products/docetaxel-trihydrate.html

$$$$
Erlotinib free Base.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (209)
2939

>  <Formula> (209)
C22H23N3O4

>  <MolWeight> (209)
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>  <Cat> (209)
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>  <Name> (209)
Erlotinib (OSI-774)

>  <Synonyms> (209)
CP358774, NSC 718781, Tarceva

>  <Target> (209)
Autophagy,EGFR

>  <Form> (209)
free base

>  <CAS> (209)
183321-74-6

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

$$$$
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csChFnd80/06282413142D

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>  <Mol_ID> (210)
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>  <Formula> (210)
C29H34Cl2FN3O3

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MI-773 (SAR405838)

>  <Synonyms> (210)
N/A

>  <Target> (210)
MDM2/MDMX,p53

>  <Form> (210)
free base

>  <CAS> (210)
1303607-60-4

>  <URL> (210)
http://selleckchem.com/products/mi-773-sar405838.html

$$$$
Combretastatin A4.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (211)
2948

>  <Formula> (211)
C18H20O5

>  <MolWeight> (211)
316.3484

>  <Cat> (211)
S7783

>  <Name> (211)
Combretastatin A4

>  <Synonyms> (211)
N/A

>  <Target> (211)
Microtubule Associated

>  <Form> (211)
free base

>  <CAS> (211)
117048-59-6

>  <URL> (211)
http://selleckchem.com/products/combretastatin-a4.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (212)
2984

>  <Formula> (212)
C21H21F3IN3O2

>  <MolWeight> (212)
531.3100196

>  <Cat> (212)
S8041

>  <Name> (212)
Cobimetinib (GDC-0973)

>  <Synonyms> (212)
RG7420,XL518

>  <Target> (212)
Apoptosis related,MEK

>  <Form> (212)
free base

>  <CAS> (212)
934660-93-2

>  <URL> (212)
http://selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (213)
2985

>  <Formula> (213)
C21H22Cl2N4O2

>  <MolWeight> (213)
433.33098

>  <Cat> (213)
S7854

>  <Name> (213)
Ulixertinib (BVD-523)

>  <Synonyms> (213)
VRT752271

>  <Target> (213)
ERK

>  <Form> (213)
free base

>  <CAS> (213)
869886-67-9

>  <URL> (213)
http://selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
RG7112 (RO5045337).cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (214)
3000

>  <Formula> (214)
C38H48Cl2N4O4S

>  <MolWeight> (214)
727.78312

>  <Cat> (214)
S7030

>  <Name> (214)
RG-7112

>  <Synonyms> (214)
RO5045337

>  <Target> (214)
MDM2/MDMX,p53

>  <Form> (214)
free base

>  <CAS> (214)
939981-39-2

>  <URL> (214)
http://selleckchem.com/products/rg-7112.html

$$$$
Vorapaxar (SCH 530348).cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (215)
3013

>  <Formula> (215)
C29H33FN2O4

>  <MolWeight> (215)
492.5817232

>  <Cat> (215)
S8067

>  <Name> (215)
Vorapaxar (MK-5348)

>  <Synonyms> (215)
SCH 530348

>  <Target> (215)
PAR

>  <Form> (215)
free base

>  <CAS> (215)
618385-01-6

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

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (216)
3064

>  <Formula> (216)
C29H33NO5

>  <MolWeight> (216)
475.57602

>  <Cat> (216)
S7911

>  <Name> (216)
BMS-1 (PD-1/PD-L1 inhibitor 1)

>  <Synonyms> (216)
PD1-PDL1-IN1

>  <Target> (216)
PD-1/PD-L1

>  <Form> (216)
free base

>  <CAS> (216)
1675201-83-8

>  <URL> (216)
http://selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/06282413142D

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>  <Mol_ID> (217)
3084

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C28H22ClF3N6O3

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Ivosidenib (AG-120)

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Dehydrogenase

>  <Form> (217)
free base

>  <CAS> (217)
1448347-49-6

>  <URL> (217)
http://selleckchem.com/products/ag-120-Ivosidenib.html

$$$$
SMER28.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (218)
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C11H10BrN3

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SMER28

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N/A

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Autophagy

>  <Form> (218)
free base

>  <CAS> (218)
307538-42-7

>  <URL> (218)
http://selleckchem.com/products/smer28.html

$$$$
BI-78D3.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (219)
3115

>  <Formula> (219)
C13H9N5O5S2

>  <MolWeight> (219)
379.37106

>  <Cat> (219)
S8201

>  <Name> (219)
BI-78D3

>  <Synonyms> (219)
N/A

>  <Target> (219)
JNK

>  <Form> (219)
free base

>  <CAS> (219)
883065-90-5

>  <URL> (219)
http://selleckchem.com/products/bi-78d3.html

$$$$
MI-136.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (220)
3123

>  <Formula> (220)
C23H21F3N6S

>  <MolWeight> (220)
470.5132496

>  <Cat> (220)
S7815

>  <Name> (220)
MI-136

>  <Synonyms> (220)
N/A

>  <Target> (220)
Histone Methyltransferase,MLL

>  <Form> (220)
free base

>  <CAS> (220)
1628316-74-4

>  <URL> (220)
http://selleckchem.com/products/mi-136.html

$$$$
GSK481.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (221)
3124

>  <Formula> (221)
C21H19N3O4

>  <MolWeight> (221)
377.39326

>  <Cat> (221)
S8169

>  <Name> (221)
GSK481

>  <Synonyms> (221)
N/A

>  <Target> (221)
RIP kinase

>  <Form> (221)
free base

>  <CAS> (221)
1622849-58-4

>  <URL> (221)
http://selleckchem.com/products/gsk481.html

$$$$
Kobe0065.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (222)
3144

>  <Formula> (222)
C15H11ClF3N5O4S

>  <MolWeight> (222)
449.7921496

>  <Cat> (222)
S8303

>  <Name> (222)
Kobe0065

>  <Synonyms> (222)
N/A

>  <Target> (222)
Ras

>  <Form> (222)
free base

>  <CAS> (222)
436133-68-5

>  <URL> (222)
http://selleckchem.com/products/kobe0065.html

$$$$
IQ-1.cdx
csChFnd80/06282413142D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (223)
3150

>  <Formula> (223)
C21H22N4O2

>  <MolWeight> (223)
362.42498

>  <Cat> (223)
S8248

>  <Name> (223)
IQ-1

>  <Synonyms> (223)
N/A

>  <Target> (223)
PP2A,Wnt/beta-catenin

>  <Form> (223)
free base

>  <CAS> (223)
331001-62-8

>  <URL> (223)
http://selleckchem.com/products/iq-1.html

$$$$
Necrosulfonamide.cdx
csChFnd80/06282413142D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.0903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1903    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 16 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (224)
3196

>  <Formula> (224)
C18H15N5O6S2

>  <MolWeight> (224)
461.4716

>  <Cat> (224)
S8251

>  <Name> (224)
Necrosulfonamide

>  <Synonyms> (224)
N/A

>  <Target> (224)
Mixed Lineage Kinase

>  <Form> (224)
free base

>  <CAS> (224)
1360614-48-7

>  <URL> (224)
http://selleckchem.com/products/necrosulfonamide.html

$$$$
NSC228155.cdx
csChFnd80/06282413142D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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  1  2  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (225)
3204

>  <Formula> (225)
C11H6N4O4S

>  <MolWeight> (225)
290.25474

>  <Cat> (225)
S8312

>  <Name> (225)
NSC228155

>  <Synonyms> (225)
N/A

>  <Target> (225)
EGFR

>  <Form> (225)
free base

>  <CAS> (225)
113104-25-9

>  <URL> (225)
http://selleckchem.com/products/nsc228155.html

$$$$
Alantolactone.cdx
csChFnd80/06282413142D

 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
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  4  7  2  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (226)
3222

>  <Formula> (226)
C15H20O2

>  <MolWeight> (226)
232.3181

>  <Cat> (226)
S8318

>  <Name> (226)
Alantolactone

>  <Synonyms> (226)
helenin, helenine, Eupatal

>  <Target> (226)
TGF-beta/Smad

>  <Form> (226)
free base

>  <CAS> (226)
546-43-0

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

$$$$
SKL2001.cdx
csChFnd80/06282413142D

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SKL2001

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N/A

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Wnt/beta-catenin

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free base

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909089-13-0

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http://selleckchem.com/products/skl2001.html

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3226

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C29H32F3N5O3

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S7833

>  <Name> (228)
OICR-9429

>  <Synonyms> (228)
N/A

>  <Target> (228)
Histone Methyltransferase,WDR5

>  <Form> (228)
free base

>  <CAS> (228)
1801787-56-3

>  <URL> (228)
http://selleckchem.com/products/oicr-9429.html

$$$$
untitled.cdx
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C38H47ClN4O4

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NVP-CGM097

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>  <Target> (229)
MDM2/MDMX

>  <Form> (229)
free base

>  <CAS> (229)
1313363-54-0

>  <URL> (229)
http://selleckchem.com/products/nvp-cgm097.html

$$$$
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C43H66N6O8

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UNC3866

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N/A

>  <Target> (230)
Histone Methyltransferase

>  <Form> (230)
free base

>  <CAS> (230)
1872382-47-2

>  <URL> (230)
http://selleckchem.com/products/unc3866.html

$$$$
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>  <Mol_ID> (231)
3268

>  <Formula> (231)
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>  <Synonyms> (231)
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>  <Target> (231)
FGFR

>  <Form> (231)
free base

>  <CAS> (231)
102586-30-1

>  <URL> (231)
http://selleckchem.com/products/nsc12.html

$$$$
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>  <Formula> (232)
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>  <Cat> (232)
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>  <Synonyms> (232)
N/A

>  <Target> (232)
STAT

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free base

>  <CAS> (232)
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>  <URL> (232)
http://selleckchem.com/products/bp-1-102.html

$$$$
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>  <Mol_ID> (233)
3292

>  <Formula> (233)
C24H23F3N6S

>  <MolWeight> (233)
484.5398296

>  <Cat> (233)
S7816

>  <Name> (233)
MI-463

>  <Synonyms> (233)
N/A

>  <Target> (233)
Histone Methyltransferase,MLL

>  <Form> (233)
free base

>  <CAS> (233)
1628317-18-9

>  <URL> (233)
http://selleckchem.com/products/mi-463.html

$$$$
PNU-74654.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (234)
3294

>  <Formula> (234)
C19H16N2O3

>  <MolWeight> (234)
320.34194

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S8429

>  <Name> (234)
PNU-74654

>  <Synonyms> (234)
N/A

>  <Target> (234)
Wnt/beta-catenin

>  <Form> (234)
free base

>  <CAS> (234)
113906-27-7

>  <URL> (234)
http://selleckchem.com/products/pnu-74654.html

$$$$
S8275-eFT-508.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (235)
3295

>  <Formula> (235)
C17H20N6O2

>  <MolWeight> (235)
340.3797

>  <Cat> (235)
S8275

>  <Name> (235)
Tomivosertib (eFT-508)

>  <Synonyms> (235)
N/A

>  <Target> (235)
eIF,MNK,PD-1/PD-L1

>  <Form> (235)
free base

>  <CAS> (235)
1849590-01-7

>  <URL> (235)
http://selleckchem.com/products/eft-508.html

$$$$
BH3I-1.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (236)
3301

>  <Formula> (236)
C15H14BrNO3S2

>  <MolWeight> (236)
400.31056

>  <Cat> (236)
S8177

>  <Name> (236)
BH3I-1

>  <Synonyms> (236)
N/A

>  <Target> (236)
Bcl-2

>  <Form> (236)
free base

>  <CAS> (236)
300817-68-9

>  <URL> (236)
http://selleckchem.com/products/bh3i-1.html

$$$$
10074-G5.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (237)
3329

>  <Formula> (237)
C18H12N4O3

>  <MolWeight> (237)
332.31288

>  <Cat> (237)
S8426

>  <Name> (237)
10074-G5

>  <Synonyms> (237)
N/A

>  <Target> (237)
Myc

>  <Form> (237)
free base

>  <CAS> (237)
413611-93-5

>  <URL> (237)
http://selleckchem.com/products/10074-g5.html

$$$$
LF3.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (238)
3331

>  <Formula> (238)
C20H24N4O2S2

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416.56016

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S8474

>  <Name> (238)
LF3

>  <Synonyms> (238)
N/A

>  <Target> (238)
Wnt/beta-catenin

>  <Form> (238)
free base

>  <CAS> (238)
664969-54-4

>  <URL> (238)
http://selleckchem.com/products/lf3.html

$$$$
EED226.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (239)
3338

>  <Formula> (239)
C17H15N5O3S

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369.3977

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S8496

>  <Name> (239)
EED226

>  <Synonyms> (239)
N/A

>  <Target> (239)
Epigenetic Reader Domain,Histone Methyltransferase

>  <Form> (239)
free base

>  <CAS> (239)
2083627-02-3

>  <URL> (239)
http://selleckchem.com/products/eed226.html

$$$$
INF39.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (240)
3364

>  <Formula> (240)
C12H13ClO2

>  <MolWeight> (240)
224.68342

>  <Cat> (240)
S8559

>  <Name> (240)
INF39

>  <Synonyms> (240)
N/A

>  <Target> (240)
NLRP3

>  <Form> (240)
free base

>  <CAS> (240)
866028-26-4

>  <URL> (240)
http://selleckchem.com/products/inf39.html

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/06282413142D

 32 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (241)
3368

>  <Formula> (241)
C22H39ClN2O6S

>  <MolWeight> (241)
495.07286

>  <Cat> (241)
S8594

>  <Name> (241)
Tirofiban Hydrochloride

>  <Synonyms> (241)
MK-383 Hydrochloride

>  <Target> (241)
Integrin

>  <Form> (241)
hydrochloride hydrate

>  <CAS> (241)
150915-40-5

>  <URL> (241)
http://selleckchem.com/products/tirofiban-hydrochlorid.html

$$$$
Marinopyrrole A (Maritoclax).cdx
csChFnd80/06282413142D

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3380

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C22H12Cl4N2O4

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S7126

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Marinopyrrole A (Maritoclax)

>  <Synonyms> (242)
N/A

>  <Target> (242)
Bcl-2

>  <Form> (242)
free base

>  <CAS> (242)
1227962-62-0

>  <URL> (242)
http://selleckchem.com/products/marinopyrrole-a-maritoclax.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/06282413142D

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    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5 14  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 26 29  1  0  0  0  0
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 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 13 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 13  1  0  0  0  0
M  END
>  <Mol_ID> (243)
3399

>  <Formula> (243)
C29H44N8O3

>  <MolWeight> (243)
552.71146

>  <Cat> (243)
S7754

>  <Name> (243)
Gilteritinib (ASP2215)

>  <Synonyms> (243)
N/A

>  <Target> (243)
Axl,FLT3

>  <Form> (243)
free base

>  <CAS> (243)
1254053-43-4

>  <URL> (243)
http://selleckchem.com/products/gilteritinib-asp2215.html

$$$$
S3721 Bilastine.cdx
csChFnd80/06282413142D

 34 37  0  0  0  0  0  0  0  0999 V2000
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   16.4626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    2.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0722    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3674    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0519    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2116    5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 16  3  1  0  0  0  0
 22  4  1  0  0  0  0
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 23  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
 17  7  1  0  0  0  0
  7 15  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  2  0  0  0  0
 15 10  1  0  0  0  0
 14 11  1  0  0  0  0
 12 20  1  0  0  0  0
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 25 16  1  0  0  0  0
 21 17  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 18  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 24  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (244)
3427

>  <Formula> (244)
C28H37N3O3

>  <MolWeight> (244)
463.61168

>  <Cat> (244)
S3721

>  <Name> (244)
Bilastine

>  <Synonyms> (244)
N/A

>  <Target> (244)
Histamine Receptor

>  <Form> (244)
free base

>  <CAS> (244)
202189-78-4

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

$$$$

csChFnd80/06282413142D

  1  0  0  0  0  0  0  0  0  0999 V2000
    7.5250   -9.3000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No structure
M  END
>  <Mol_ID> (245)
3472

>  <Formula> (245)
R

>  <Cat> (245)
S5132

>  <Name> (245)
Casanthranol

>  <Synonyms> (245)
N/A

>  <Target> (245)
Others

>  <CAS> (245)
8024-48-4

>  <URL> (245)
http://selleckchem.com/products/casanthranol.html

$$$$
S5112 alpha-Arbutin.cdx
csChFnd80/06282413142D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8473    3.4811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8473    2.0672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6474    1.3781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6474    4.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4237    3.4811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0474    4.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6593    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    1.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2118    4.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    4.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4709    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8947    1.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  1  7  1  6  0  0  0
  3  2  1  0  0  0  0
  2  8  1  6  0  0  0
  3  9  1  1  0  0  0
  3  5  1  0  0  0  0
  6  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  6  0  0  0
  6 13  1  1  0  0  0
 10  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 18 12  1  0  0  0  0
 17 12  2  0  0  0  0
 19 13  1  0  0  0  0
 17 14  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (246)
3496

>  <Formula> (246)
C12H16O7

>  <MolWeight> (246)
272.25124

>  <Cat> (246)
S5112

>  <Name> (246)
alpha-Arbutin

>  <Synonyms> (246)
alpha-Arbutoside, 4-hydroxyphenyl-D-lucopyranoside

>  <Target> (246)
Others

>  <Form> (246)
free base

>  <CAS> (246)
84380-01-8

>  <URL> (246)
http://selleckchem.com/products/alpha-arbutin.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/06282413142D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (247)
3498

>  <Formula> (247)
C6H6Na3O9P

>  <MolWeight> (247)
322.049511

>  <Cat> (247)
S5115

>  <Name> (247)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (247)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (247)
c-Met

>  <Form> (247)
sodium salt

>  <CAS> (247)
66170-10-3

>  <URL> (247)
http://selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
S5094 Maduramycin Ammonium.cdx
csChFnd80/06282413142D

 72 77  0  0  0  0  0  0  0  0999 V2000
    9.7501    7.4366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9835    6.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332    6.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0548    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1809    7.2858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6062    6.2604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6575    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (248)
3543

>  <Formula> (248)
C47H83NO17

>  <MolWeight> (248)
934.15842

>  <Cat> (248)
S5094

>  <Name> (248)
Maduramycin Ammonium

>  <Synonyms> (248)
N/A

>  <Target> (248)
Parasite

>  <CAS> (248)
84878-61-5

>  <URL> (248)
http://selleckchem.com/products/maduramycin-ammonium.html

$$$$
SR-18292.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (249)
3556

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C23H30N2O2

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366.4965

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S8528

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SR-18292

>  <Synonyms> (249)
N/A

>  <Target> (249)
PGC-1¦Á

>  <Form> (249)
free base

>  <CAS> (249)
2095432-55-4

>  <URL> (249)
http://selleckchem.com/products/sr-18292.html

$$$$
S5314 HTHQ.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (250)
3674

>  <Formula> (250)
C15H24O2

>  <MolWeight> (250)
236.34986

>  <Cat> (250)
S5314

>  <Name> (250)
HTHQ (1-O-Hexyl-2,3,5-trimethylhydroquinone)

>  <Synonyms> (250)
N/A

>  <Target> (250)
ROS

>  <CAS> (250)
148081-72-5

>  <URL> (250)
http://selleckchem.com/products/hthq-1-o-hexyl-2-3-5-trimethylhydroquinone.html

$$$$
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csChFnd80/06282413142D

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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  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
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (251)
3682

>  <Formula> (251)
C26H33NO2

>  <MolWeight> (251)
391.54572

>  <Cat> (251)
S5233

>  <Name> (251)
Fenretinide (NSC 374551)

>  <Synonyms> (251)
4-hydroxy(phenyl)retinamide, 4-HPR, MK-4016

>  <Target> (251)
Retinoid Receptor

>  <Form> (251)
free base

>  <CAS> (251)
65646-68-6

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

$$$$
S5246 Entecavir.cdx
csChFnd80/06282413142D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9772    5.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4252    4.0227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7872    6.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6272    7.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    5.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7637    3.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151    2.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9515    7.6142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4017    7.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7751    2.2053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8880    4.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508    1.7576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1966    7.1452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4017    9.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9159    1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0336    0.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7835    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 15  2  0  0  0  0
 12 18  1  6  0  0  0
 12 14  1  0  0  0  0
 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (252)
3683

>  <Formula> (252)
C12H15N5O3

>  <MolWeight> (252)
277.2792

>  <Cat> (252)
S5246

>  <Name> (252)
Entecavir

>  <Synonyms> (252)
BMS200475,SQ34676

>  <Target> (252)
Reverse Transcriptase

>  <Form> (252)
free base

>  <CAS> (252)
142217-69-4

>  <URL> (252)
https://www.selleckchem.com/products/s5246-entecavir.html

$$$$
S5250 Darunavir.cdx
csChFnd80/06282413142D

 40 43  0  0  0  0  0  0  0  0999 V2000
    4.8415    5.9368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540    6.6368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4603    2.3334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2667    5.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3780    1.2620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1166    1.7358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4782    2.4352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6017    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6291    5.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667    4.5358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4782    3.8364    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9031    2.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    7.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540    8.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2593    0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6933    1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    0.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    4.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182    5.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    3.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    3.8353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2075    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    5.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    5.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    3.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5499    3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    8.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4671    6.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    6.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307    8.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422   10.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    8.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9101    8.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6861    8.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5423    3.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2811    0.1922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
  5  2  1  0  0  0  0
 16  2  1  0  0  0  0
  3  8  1  0  0  0  0
 13  3  1  0  0  0  0
 19  3  2  0  0  0  0
  4  7  1  0  0  0  0
  6  4  1  0  0  0  0
 26  4  1  0  0  0  0
  4 39  1  1  0  0  0
 11  5  1  0  0  0  0
 18  6  1  0  0  0  0
  6 40  1  1  0  0  0
  6  9  1  0  0  0  0
  7 13  1  6  0  0  0
 17  7  1  0  0  0  0
 12  8  1  0  0  0  0
  9 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  2  0  0  0  0
 12 11  1  0  0  0  0
 11 24  1  6  0  0  0
 12 20  1  6  0  0  0
 31 16  1  0  0  0  0
 18 30  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 22  1  0  0  0  0
 23 29  2  0  0  0  0
 25 23  1  0  0  0  0
 28 23  1  0  0  0  0
 30 26  1  0  0  0  0
 32 27  1  0  0  0  0
 33 27  2  0  0  0  0
 34 31  1  0  0  0  0
 35 31  1  0  0  0  0
 36 32  2  0  0  0  0
 37 33  1  0  0  0  0
 36 38  1  0  0  0  0
 38 37  2  0  0  0  0
M  END
>  <Mol_ID> (253)
3684

>  <Formula> (253)
C27H37N3O7S

>  <MolWeight> (253)
547.66358

>  <Cat> (253)
S5250

>  <Name> (253)
Darunavir

>  <Synonyms> (253)
TMC114,DRV

>  <Target> (253)
COVID-19,HIV Protease

>  <Form> (253)
free base

>  <CAS> (253)
206361-99-1

>  <URL> (253)
http://selleckchem.com/products/darunavir.html

$$$$
S5291 Sulfisomidin.cdx
csChFnd80/06282413142D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8305    5.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    4.8997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    4.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    3.6867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9185    6.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    5.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468    6.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    2.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4627    7.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    0.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (254)
3691

>  <Formula> (254)
C12H14N4O2S

>  <MolWeight> (254)
278.33016

>  <Cat> (254)
S5291

>  <Name> (254)
sulfaisodimidine

>  <Synonyms> (254)
Sulfamethin, Sulfaisodimidine

>  <Target> (254)
Bacterial

>  <Form> (254)
free base

>  <CAS> (254)
515-64-0

>  <URL> (254)
http://selleckchem.com/products/sulfaisodimidine.html

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/06282413142D

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.4512    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    2.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8786    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    4.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0742    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    4.9179    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2608    0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    6.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0923    4.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2608    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    6.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    6.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0998    8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    9.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    4.0206    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.5205    4.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    2.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7205    4.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    5.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (255)
3770

>  <Formula> (255)
C21H30NO5P

>  <MolWeight> (255)
407.440361

>  <Cat> (255)
S5256

>  <Name> (255)
Benproperine phosphate

>  <Synonyms> (255)
Blascorid, Pirexyl phosphate

>  <Target> (255)
Actin,Microtubule Associated

>  <Form> (255)
phosphate

>  <CAS> (255)
19428-14-9

>  <URL> (255)
http://selleckchem.com/products/benproperine-phosphate.html

$$$$
S5588 Creatine.cdx
csChFnd80/06282413142D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (256)
3893

>  <Formula> (256)
C4H9N3O2

>  <MolWeight> (256)
131.13316

>  <Cat> (256)
S5588

>  <Name> (256)
Creatine

>  <Synonyms> (256)
Methylguanidoacetic acid

>  <Target> (256)
IFN,JAK

>  <Form> (256)
free base

>  <CAS> (256)
57-00-1

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

$$$$
S5594 ¦Á-Terpineol.cdx
csChFnd80/06282413142D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.1199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1483    4.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0624    3.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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  1  5  1  0  0  0  0
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  2  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (257)
3894

>  <Formula> (257)
C10H18O

>  <MolWeight> (257)
154.24932

>  <Cat> (257)
S5594

>  <Name> (257)
¦Á-Terpineol

>  <Synonyms> (257)
N/A

>  <Target> (257)
Prostaglandin Receptor

>  <Form> (257)
free base

>  <CAS> (257)
10482-56-1

>  <URL> (257)
http://selleckchem.com/products/alpha-terpineol.html

$$$$
S5596 (1S)-(-)-¦Á-Pinene.cdx
csChFnd80/06282413142D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.1829    1.8303    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1320    4.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2776    1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    3.0775    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1661    5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5184    5.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2807    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2776    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    2.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219    0.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    4.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
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  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  6  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (258)
3896

>  <Formula> (258)
C10H16

>  <MolWeight> (258)
136.23404

>  <Cat> (258)
S5596

>  <Name> (258)
(1S)-(-)-¦Á-Pinene

>  <Synonyms> (258)
N/A

>  <Target> (258)
GABA Receptor

>  <Form> (258)
free base

>  <CAS> (258)
7785-26-4

>  <URL> (258)
http://selleckchem.com/products/1s-alpha-pinene.html

$$$$
S5388 Betrixaban.cdx
csChFnd80/06282413142D

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.7073    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    2.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    4.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091    4.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    6.3037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    7.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648    6.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    8.3978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    7.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    6.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    4.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    4.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    4.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    4.9023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    2.8032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9201    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1319    4.2080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3448    4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5612    4.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7718    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7718    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5603    7.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3442    6.3018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9844    7.0046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9201    6.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    6.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 21 30  2  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
>  <Mol_ID> (259)
3939

>  <Formula> (259)
C23H22ClN5O3

>  <MolWeight> (259)
451.90548

>  <Cat> (259)
S5388

>  <Name> (259)
Betrixaban

>  <Synonyms> (259)
PRT054021

>  <Target> (259)
Factor Xa

>  <Form> (259)
free base

>  <CAS> (259)
330942-05-7

>  <URL> (259)
https://www.selleckchem.com/products/betrixaban.html

$$$$
S5540 Landiolol hydrochloride.cdx
csChFnd80/06282413142D

 37 38  0  0  0  0  0  0  0  0999 V2000
    7.2156    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4277    2.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6397    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2156    0.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0035    2.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518    2.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0467    4.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2473    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2473    2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0348    2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4654    4.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6745    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8881    4.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0994    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3119    4.8986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5238    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7360    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9480    4.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   24.1601    6.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8047    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.3722    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5884    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8047    2.7946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8881    6.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    2.7358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4324    4.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588    4.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566    3.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    2.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253    2.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1270    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
 16 17  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 22 27  1  0  0  0  0
 20 24  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
 15 16  1  0  0  0  0
 14 28  1  1  0  0  0
  9 12  1  0  0  0  0
  3  6  1  0  0  0  0
  5 29  1  0  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (260)
3964

>  <Formula> (260)
C25H40ClN3O8

>  <MolWeight> (260)
546.0534

>  <Cat> (260)
S5540

>  <Name> (260)
Landiolol hydrochloride

>  <Synonyms> (260)
ONO-1101 hydrochloride

>  <Target> (260)
Adrenergic Receptor

>  <Form> (260)
hydrochloride

>  <CAS> (260)
144481-98-1

>  <URL> (260)
https://www.selleckchem.com/products/landiolol-hydrochloride.html

$$$$
S9409 Kavain.cdx
csChFnd80/06282413142D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8364    2.7961    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6156    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8364    4.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0369    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    2.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    2.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    6.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492    0.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6695    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8915    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8957    0.7072    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  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
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 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (261)
4035

>  <Formula> (261)
C14H14O3

>  <MolWeight> (261)
230.25916

>  <Cat> (261)
S9409

>  <Name> (261)
Kavain

>  <Synonyms> (261)
(+)-Kavain

>  <Target> (261)
GABA Receptor

>  <Form> (261)
free base

>  <CAS> (261)
500-64-1

>  <URL> (261)
https://www.selleckchem.com/products/kavain.html

$$$$

csChFnd80/06282413142D

 29 30  0  0  0  0  0  0  0  0999 V2000
   13.0622    1.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2746    3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2746    4.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0622    5.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0622    6.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 12 13  1  0  0  0  0
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 25 26  1  0  0  0  0
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (262)
4119

>  <Formula> (262)
C21H27ClN2O5

>  <MolWeight> (262)
422.90248

>  <Cat> (262)
S5925

>  <Name> (262)
Olodaterol hydrochloride

>  <Synonyms> (262)
BI-1744 HCl

>  <Target> (262)
Adrenergic Receptor

>  <Form> (262)
hydrochloride

>  <CAS> (262)
869477-96-3

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

$$$$

csChFnd80/06282413142D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 22 23  2  0  0  0  0
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M  END
>  <Mol_ID> (263)
4135

>  <Formula> (263)
C17H13ClNO5P

>  <MolWeight> (263)
377.715581

>  <Cat> (263)
S8409

>  <Name> (263)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (263)
N/A

>  <Target> (263)
Epigenetic Reader Domain

>  <Form> (263)
Free Base

>  <CAS> (263)
18228-17-6

>  <URL> (263)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/06282413142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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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  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
  6 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
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M  END
>  <Mol_ID> (264)
4146

>  <Formula> (264)
C20H21N3O5S

>  <MolWeight> (264)
415.46284

>  <Cat> (264)
S8714

>  <Name> (264)
INCB057643

>  <Synonyms> (264)
N/A

>  <Target> (264)
Epigenetic Reader Domain

>  <Form> (264)
Free Base

>  <CAS> (264)
1820889-23-3

>  <URL> (264)
http://www.selleckchem.com/products/incb057643.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/06282413142D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   11.7320    1.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5466    5.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1445    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
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  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
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 24 29  1  0  0  0  0
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M  END
>  <Mol_ID> (265)
4172

>  <Formula> (265)
C29H39NO9

>  <MolWeight> (265)
545.62126

>  <Cat> (265)
S9015

>  <Name> (265)
Homoharringtonine (CGX-635)

>  <Synonyms> (265)
Omacetaxine mepesuccinate, HHT, Myelostat, NSC 141633

>  <Target> (265)
STAT

>  <CAS> (265)
26833-87-4

>  <URL> (265)
https://www.selleckchem.com/products/homoharringtonine.html

$$$$
S9020 Dihydrotanshinone I.cdx
csChFnd80/06282413142D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4098    3.0706    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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  7 18  2  0  0  0  0
  6 19  2  0  0  0  0
 13 20  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (266)
4174

>  <Formula> (266)
C18H14O3

>  <MolWeight> (266)
278.30196

>  <Cat> (266)
S9020

>  <Name> (266)
Dihydrotanshinone I

>  <Synonyms> (266)
15,16-dihydrotanshinone I

>  <Target> (266)
Others

>  <Form> (266)
free base

>  <CAS> (266)
87205-99-0

>  <URL> (266)
https://www.selleckchem.com/products/dihydrotanshinone-i.html

$$$$
S9055 Salvianolic acid A.cdx
csChFnd80/06282413142D

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.6566    5.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    6.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499    3.4964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8856    3.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    3.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6566    4.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    4.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405    4.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    5.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3842    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    6.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    5.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9639    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5973    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    7.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1756    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1756    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5032    5.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5383    1.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    2.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4600    3.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    4.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5973    3.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5170    8.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    7.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9631    1.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3795    4.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9393    5.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3842    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    7.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9387    8.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8089    1.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  8  1  2  0  0  0  0
 11  2  2  0  0  0  0
 14  3  2  0  0  0  0
 28  3  1  0  0  0  0
  5  4  1  6  0  0  0
 21  4  2  0  0  0  0
 29  4  1  0  0  0  0
  5 10  1  0  0  0  0
 15  5  1  0  0  0  0
  6  8  1  0  0  0  0
  9  6  2  0  0  0  0
  7  9  1  0  0  0  0
 10  7  1  0  0  0  0
 22  7  2  0  0  0  0
 23  8  1  0  0  0  0
 25 11  1  0  0  0  0
 12 18  1  0  0  0  0
 16 12  2  0  0  0  0
 32 12  1  0  0  0  0
 13 20  1  0  0  0  0
 31 13  1  0  0  0  0
 13 17  2  0  0  0  0
 24 14  1  0  0  0  0
 34 14  1  0  0  0  0
 19 15  1  0  0  0  0
 36 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 35 17  1  0  0  0  0
 18 19  2  0  0  0  0
 30 19  1  0  0  0  0
 20 25  2  0  0  0  0
 23 24  2  0  0  0  0
 33 25  1  0  0  0  0
 26 30  2  0  0  0  0
 27 33  2  0  0  0  0
M  END
>  <Mol_ID> (267)
4191

>  <Formula> (267)
C26H22O10

>  <MolWeight> (267)
494.44688

>  <Cat> (267)
S9055

>  <Name> (267)
Salvianolic acid A

>  <Synonyms> (267)
Dan Phenolic Acid A

>  <Target> (267)
Immunology & Inflammation related

>  <Form> (267)
free base

>  <CAS> (267)
96574-01-5

>  <URL> (267)
https://www.selleckchem.com/products/salvianolic-acid-a.html

$$$$
S9084 Rhoifolin.cdx
csChFnd80/06282413142D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 17 14  1  1  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  6  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 27 23  1  1  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  6  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  6  0  0  0
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  6  0  0  0
 37 40  1  6  0  0  0
 37 38  1  0  0  0  0
 38 41  1  1  0  0  0
M  END
>  <Mol_ID> (268)
4219

>  <Formula> (268)
C27H30O14

>  <MolWeight> (268)
578.5187

>  <Cat> (268)
S9084

>  <Name> (268)
Rhoifolin

>  <Synonyms> (268)
Rhoifoloside, Apigenin 7-O-neohesperidoside, Apigenin-7-O-rhamnoglucoside

>  <Target> (268)
Anti-infection,Immunology & Inflammation related

>  <Form> (268)
free base

>  <CAS> (268)
17306-46-6

>  <URL> (268)
https://www.selleckchem.com/products/rhoifolin.html

$$$$
S9100 Fraxinellone.cdx
csChFnd80/06282413142D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4309    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7621    3.9416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4309    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    4.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    4.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414    5.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687    2.8160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621    1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    1.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    5.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925    6.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094    0.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9181    6.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786    7.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  6  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (269)
4234

>  <Formula> (269)
C14H16O3

>  <MolWeight> (269)
232.27504

>  <Cat> (269)
S9100

>  <Name> (269)
Fraxinellone

>  <Target> (269)
Immunology & Inflammation related

>  <Form> (269)
free base

>  <CAS> (269)
28808-62-0

>  <URL> (269)
https://www.selleckchem.com/products/fraxinellone.html

$$$$
S9142 Sparteine.cdx
csChFnd80/06282413142D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.2170    3.8173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1993    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5970    1.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1054    2.6306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    1.4084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9005    2.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    3.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6137    3.8200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2968    2.5976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4091    3.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7261    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3232    5.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    5.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619    0.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1993    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
  2 10  1  0  0  0  0
 10  1  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 12 18  1  6  0  0  0
  9 19  1  1  0  0  0
  1 12  1  0  0  0  0
  1 20  1  6  0  0  0
  2  3  1  0  0  0  0
  2 21  1  6  0  0  0
M  END
>  <Mol_ID> (270)
4269

>  <Formula> (270)
C15H26N2

>  <MolWeight> (270)
234.38034

>  <Cat> (270)
S9142

>  <Name> (270)
Sparteine

>  <Target> (270)
Sodium Channel

>  <Form> (270)
free base

>  <CAS> (270)
492-08-0

>  <URL> (270)
https://www.selleckchem.com/products/sparteine.html

$$$$
S9265 7-Epitaxol.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (271)
4359

>  <Formula> (271)
C47H51NO14

>  <MolWeight> (271)
853.90614

>  <Cat> (271)
S9265

>  <Name> (271)
7-Epitaxol

>  <Synonyms> (271)
7-Epipaclitaxel

>  <Target> (271)
Others

>  <CAS> (271)
105454-04-4

>  <URL> (271)
https://www.selleckchem.com/products/7-epitaxol.html

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (272)
4397

>  <Formula> (272)
C21H22O7

>  <MolWeight> (272)
386.39518

>  <Cat> (272)
S9315

>  <Name> (272)
Praeruptorin A

>  <Target> (272)
Akt,Calcium Channel,p38 MAPK

>  <Form> (272)
free base

>  <CAS> (272)
73069-25-7

>  <URL> (272)
https://www.selleckchem.com/products/praeruptorin-a-1.html

$$$$
P1017 Octreotide Acetate.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (273)
4406

>  <Formula> (273)
C49H66N10O10S2

>  <MolWeight> (273)
1019.23934

>  <Cat> (273)
P1017

>  <Name> (273)
Octreotide (SMS 201-995) acetate

>  <Synonyms> (273)
D-Phe-c[Cys-Phe-D-Trp-Lys-Thr-Cys]-Thr-ol

>  <Form> (273)
Acetate

>  <CAS> (273)
79517-01-4

>  <URL> (273)
http://selleckchem.com/products/octreotide-acetate.html

$$$$
S5278 Tedizolid.cdx
csChFnd80/06282413142D

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>  <Mol_ID> (274)
4420

>  <Formula> (274)
C17H15FN6O3

>  <MolWeight> (274)
370.3378032

>  <Cat> (274)
S5278

>  <Name> (274)
Tedizolid (TR-700)

>  <Target> (274)
Antibiotics,Bacterial

>  <CAS> (274)
856866-72-3

>  <URL> (274)
https://www.selleckchem.com/products/tedizolid.html

$$$$
S5605 Tos-Arg-OMe.HCl.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (275)
4468

>  <Formula> (275)
C14H23ClN4O4S

>  <MolWeight> (275)
378.87482

>  <Cat> (275)
S5605

>  <Name> (275)
Tos-Arg-OMe HCl

>  <Target> (275)
Others

>  <Form> (275)
free base

>  <CAS> (275)
1784-03-8

>  <URL> (275)
https://www.selleckchem.com/products/tos-arg-ome-hcl.html

$$$$
S5067 Losartan.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (276)
4546

>  <Formula> (276)
C22H23ClN6O

>  <MolWeight> (276)
422.91062

>  <Cat> (276)
S5067

>  <Name> (276)
Losartan

>  <Synonyms> (276)
DuP-753

>  <Target> (276)
Angiotensin Receptor

>  <Form> (276)
free base

>  <CAS> (276)
114798-26-4

>  <URL> (276)
https://www.selleckchem.com/products/losartan.html

$$$$
S5654 Indacaterol.cdx
csChFnd80/06282413142D

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M  END
>  <Mol_ID> (277)
4556

>  <Formula> (277)
C24H28N2O3

>  <MolWeight> (277)
392.49072

>  <Cat> (277)
S5654

>  <Name> (277)
Indacaterol

>  <Synonyms> (277)
N/A

>  <Target> (277)
Adrenergic Receptor

>  <Form> (277)
free base

>  <CAS> (277)
312753-06-3

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

$$$$
S5657 Ertapenem sodium.cdx
csChFnd80/06282413142D

 36 38  0  0  0  0  0  0  0  0999 V2000
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    3.2834    5.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
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 19  6  1  0  0  0  0
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 20  8  1  0  0  0  0
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 12  9  1  6  0  0  0
 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (278)
4558

>  <Formula> (278)
C22H24N3NaO7S

>  <MolWeight> (278)
497.49663

>  <Cat> (278)
S5657

>  <Name> (278)
Ertapenem sodium

>  <Synonyms> (278)
MK826

>  <Target> (278)
Antibiotics

>  <Form> (278)
sodium salt

>  <CAS> (278)
153773-82-1

>  <URL> (278)
http://selleckchem.com/products/ertapenem-sodium.html

$$$$
S5659 Emedastine.cdx
csChFnd80/06282413142D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (279)
4559

>  <Formula> (279)
C17H26N4O

>  <MolWeight> (279)
302.41454

>  <Cat> (279)
S5659

>  <Name> (279)
Emedastine

>  <Synonyms> (279)
N/A

>  <Target> (279)
Histamine Receptor

>  <Form> (279)
free base

>  <CAS> (279)
87233-61-2

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

$$$$
S5716 Abemaciclib.cdx
csChFnd80/06282413142D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (280)
4566

>  <Formula> (280)
C27H32F2N8

>  <MolWeight> (280)
506.5933864

>  <Cat> (280)
S5716

>  <Name> (280)
Abemaciclib (LY2835219)

>  <Synonyms> (280)
LY2835219

>  <Target> (280)
CDK

>  <Form> (280)
free base

>  <CAS> (280)
1231929-97-7

>  <URL> (280)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5476 Rolapitant.cdx
csChFnd80/06282413142D

 35 38  0  0  0  0  0  0  0  0999 V2000
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   11.1752    9.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6181    0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9621    0.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9618    2.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0959    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  7  8  1  0  0  0  0
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  7 11  1  1  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 10 20  1  6  0  0  0
 10 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 10  1  0  0  0  0
 20 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 20  1  0  0  0  0
 23 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 23 34  1  1  0  0  0
 33 35  2  0  0  0  0
M  END
>  <Mol_ID> (281)
4570

>  <Formula> (281)
C25H26F6N2O2

>  <MolWeight> (281)
500.4765592

>  <Cat> (281)
S5476

>  <Name> (281)
Rolapitant

>  <Synonyms> (281)
SCH-619734

>  <Target> (281)
Neurokinin Receptor

>  <CAS> (281)
552292-08-7

>  <URL> (281)
https://www.selleckchem.com/products/rolapitant.html

$$$$

csChFnd80/06282413142D

 36 41  0  0  0  0  0  0  0  0999 V2000
    2.4138    7.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6262    4.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 10 20  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  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  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 34 29  1  0  0  0  0
  1 35  1  0  0  0  0
 35 36  3  0  0  0  0
M  END
>  <Mol_ID> (282)
4578

>  <Formula> (282)
C30H34N4O2

>  <MolWeight> (282)
482.61656

>  <Cat> (282)
S2762

>  <Name> (282)
Alectinib (CH5424802)

>  <Synonyms> (282)
AF-802, RG-7853,CH5424802

>  <Target> (282)
ALK

>  <Form> (282)
Free Base

>  <CAS> (282)
1256580-46-7

>  <URL> (282)
http://www.selleckchem.com/products/ch5424802.html

$$$$

csChFnd80/06282413142D

 23 22  0  0  0  0  0  0  0  0999 V2000
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    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7995    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 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
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 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (283)
4607

>  <Formula> (283)
C19H32BrNO2

>  <MolWeight> (283)
386.36688

>  <Cat> (283)
S5038

>  <Name> (283)
Valethamate Bromide

>  <Synonyms> (283)
Ediposin

>  <Target> (283)
Others

>  <Form> (283)
Bromide

>  <CAS> (283)
90-22-2

>  <URL> (283)
http://www.selleckchem.com/products/valethamate-bromide.html

$$$$

csChFnd80/06282413142D

 25 25  0  0  0  0  0  0  0  0999 V2000
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    0.7000    3.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
  9 13  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (284)
4612

>  <Formula> (284)
C18H30N2O4S

>  <MolWeight> (284)
370.5068

>  <Cat> (284)
S5179

>  <Name> (284)
Ropivacaine Mesilate

>  <Synonyms> (284)
Ropivacaine Mesylate

>  <Target> (284)
Others

>  <Form> (284)
Mesilate

>  <CAS> (284)
854056-07-8

>  <URL> (284)
http://www.selleckchem.com/products/ropivacaine-mesilate.html

$$$$

csChFnd80/06282413142D

 76 79  0  0  0  0  0  0  0  0999 V2000
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   28.7993   11.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1007   12.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8057   13.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1086   15.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7107   15.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.6150   16.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8134   16.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1173   17.4266    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
 44 45  1  0  0  0  0
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  1  2  1  0  0  0  0
 26 47  2  0  0  0  0
 31 48  1  0  0  0  0
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 31 50  1  0  0  0  0
 48 49  1  0  0  0  0
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 10  5  1  0  0  0  0
 23 24  1  0  0  0  0
 51 52  2  0  0  0  0
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 52 53  1  0  0  0  0
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 53 54  2  0  0  0  0
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  3  4  1  0  0  0  0
 55 57  1  0  0  0  0
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 11 12  1  0  0  0  0
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 59 60  1  0  0  0  0
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 50 62  1  6  0  0  0
  9 13  1  0  0  0  0
 62 63  1  0  0  0  0
 29 30  1  0  0  0  0
 63 64  1  0  0  0  0
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 30 31  1  0  0  0  0
 65 66  1  0  0  0  0
 13 14  1  0  0  0  0
 66 67  2  0  0  0  0
  1 32  1  6  0  0  0
 67 68  1  0  0  0  0
 68 63  2  0  0  0  0
  5  6  2  0  0  0  0
 66 69  1  0  0  0  0
  2 33  1  0  0  0  0
 67 70  1  0  0  0  0
  2 15  1  0  0  0  0
 70 71  1  0  0  0  0
 32 34  1  0  0  0  0
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 34 35  2  0  0  0  0
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 15 16  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (285)
4630

>  <Formula> (285)
C58H80Cl2N2O14

>  <MolWeight> (285)
1100.1668

>  <Cat> (285)
S5673

>  <Name> (285)
Mivacurium chloride

>  <Synonyms> (285)
N/A

>  <Target> (285)
Others

>  <Form> (285)
chloride

>  <CAS> (285)
106861-44-3

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

$$$$

csChFnd80/06282413142D

 27 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
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 13 18  2  0  0  0  0
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 15 19  2  0  0  0  0
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 17 20  1  0  0  0  0
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 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (286)
4645

>  <Formula> (286)
C23H33IN2O

>  <MolWeight> (286)
480.42539

>  <Cat> (286)
S5697

>  <Name> (286)
Isopropamide Iodide

>  <Synonyms> (286)
N/A

>  <Target> (286)
Others

>  <Form> (286)
Iodide

>  <CAS> (286)
71-81-8

>  <URL> (286)
http://www.selleckchem.com/products/isopropamide-Iodide.html

$$$$

csChFnd80/06282413142D

 27 28  0  0  0  0  0  0  0  0999 V2000
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    3.6374    4.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9316    1.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  8  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
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 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (287)
4646

>  <Formula> (287)
C19H24N2O6

>  <MolWeight> (287)
376.40366

>  <Cat> (287)
S5698

>  <Name> (287)
Ketorolac tromethamine salt

>  <Synonyms> (287)
N/A

>  <Target> (287)
COX

>  <Form> (287)
tromethamine salt

>  <CAS> (287)
74103-07-4

>  <URL> (287)
http://www.selleckchem.com/products/ketorolac-tromethamine-salt.html

$$$$

csChFnd80/06282413142D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8459    5.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    6.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    6.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    4.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2650    5.6599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    7.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    5.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9027    6.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1144    5.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 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
 10 16  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (288)
4649

>  <Formula> (288)
C22H24N2O2

>  <MolWeight> (288)
348.43816

>  <Cat> (288)
S5718

>  <Name> (288)
Acrivastine

>  <Synonyms> (288)
BW825C

>  <Target> (288)
Histamine Receptor

>  <Form> (288)
Free Base

>  <CAS> (288)
87848-99-5

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

$$$$

csChFnd80/06282413142D

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>  <Mol_ID> (289)
4651

>  <Formula> (289)
C38H46F4N6O9S

>  <MolWeight> (289)
838.8652528

>  <Cat> (289)
S5720

>  <Name> (289)
Glecaprevir

>  <Synonyms> (289)
ABT-493

>  <Target> (289)
HCV Protease

>  <Form> (289)
Free Base

>  <CAS> (289)
1365970-03-1

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

$$$$

csChFnd80/06282413142D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (290)
4720

>  <Formula> (290)
C18H19F3N2O4S2

>  <MolWeight> (290)
448.4796696

>  <Cat> (290)
S5815

>  <Name> (290)
WAY-316606

>  <Synonyms> (290)
N/A

>  <Target> (290)
SFRP,Wnt/beta-catenin

>  <Form> (290)
Free Base

>  <CAS> (290)
915759-45-4

>  <URL> (290)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/06282413142D

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>  <Mol_ID> (291)
4733

>  <Formula> (291)
C17H34O4

>  <MolWeight> (291)
302.44946

>  <Cat> (291)
S5829

>  <Name> (291)
Monomyristin

>  <Synonyms> (291)
Glyceryl myristate; 2,3-Dihydroxypropyl tetradecanoate

>  <Target> (291)
Fungal

>  <Form> (291)
Free Base

>  <CAS> (291)
589-68-4

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

$$$$

csChFnd80/06282413142D

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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 11  2  0  0  0  0
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 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
 16 29  1  0  0  0  0
M  END
>  <Mol_ID> (292)
4739

>  <Formula> (292)
C24H24N4O

>  <MolWeight> (292)
384.47356

>  <Cat> (292)
S8775

>  <Name> (292)
HS-1371

>  <Synonyms> (292)
N/A

>  <Target> (292)
RIP kinase

>  <Form> (292)
Free Base

>  <CAS> (292)
2158197-70-5

>  <URL> (292)
http://www.selleckchem.com/products/hs-1371.html

$$$$

csChFnd80/06282413142D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.6052    5.7985    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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  9 10  2  0  0  0  0
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 11  7  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 23  1  0  0  0  0
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  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (293)
4742

>  <Formula> (293)
C19H21N3O3S

>  <MolWeight> (293)
371.45334

>  <Cat> (293)
S8789

>  <Name> (293)
SSE15206

>  <Synonyms> (293)
N/A

>  <Target> (293)
Microtubule Associated

>  <Form> (293)
Free Base

>  <CAS> (293)
1370046-40-4

>  <URL> (293)
http://www.selleckchem.com/products/sse15206.html

$$$$

csChFnd80/06282413142D

 39 43  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
  7 15  1  1  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25  5  1  0  0  0  0
  5 26  1  1  0  0  0
  2 27  1  1  0  0  0
  4 28  1  1  0  0  0
 12 29  1  1  0  0  0
 14 30  1  1  0  0  0
  3 31  1  6  0  0  0
 32 15  1  0  0  0  0
 17 33  1  6  0  0  0
 34 25  1  0  0  0  0
 16 35  1  1  0  0  0
 23 36  1  6  0  0  0
  2  9  1  0  0  0  0
 20 18  1  0  0  0  0
 24 21  1  0  0  0  0
 12  8  1  0  0  0  0
 14  5  1  0  0  0  0
  6 37  1  1  0  0  0
  2  3  1  0  0  0  0
  9 38  1  6  0  0  0
  3  1  1  0  0  0  0
  8 39  1  6  0  0  0
M  END
>  <Mol_ID> (294)
4786

>  <Formula> (294)
C30H48O6

>  <MolWeight> (294)
504.69852

>  <Cat> (294)
S9502

>  <Name> (294)
Madecassic acid

>  <Synonyms> (294)
Brahmic acid

>  <Target> (294)
COX,Immunology & Inflammation related,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (294)
Free Base

>  <CAS> (294)
18449-41-7

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

$$$$

csChFnd80/06282413142D

 29 29  0  0  0  0  0  0  0  0999 V2000
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   12.1244    2.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (295)
4801

>  <Formula> (295)
C24H37ClN2O2

>  <MolWeight> (295)
421.01578

>  <Cat> (295)
S9566

>  <Name> (295)
Bepridil hydrochloride

>  <Synonyms> (295)
CERM 1978

>  <Target> (295)
Calcium Channel

>  <Form> (295)
hydrochloride

>  <CAS> (295)
74764-40-2

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

$$$$

csChFnd80/06282413142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (296)
5043

>  <Formula> (296)
C20H18F2N6O

>  <MolWeight> (296)
396.3933264

>  <Cat> (296)
S8787

>  <Name> (296)
GSK'547

>  <Synonyms> (296)
N/A

>  <Target> (296)
RIP kinase

>  <Form> (296)
free base

>  <CAS> (296)
2226735-55-1

>  <URL> (296)
http://www.selleck.cn/products/gsk547.html

$$$$

csChFnd80/06282413142D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (297)
5113

>  <Formula> (297)
C23H21N5O3

>  <MolWeight> (297)
415.44454

>  <Cat> (297)
S2780

>  <Name> (297)
I-BET151 (GSK1210151A)

>  <Synonyms> (297)
N/A

>  <Target> (297)
Epigenetic Reader Domain

>  <Form> (297)
Free Base

>  <CAS> (297)
1300031-49-5

>  <URL> (297)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/06282413142D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (298)
5149

>  <Formula> (298)
C12H19Cl2NO

>  <MolWeight> (298)
264.19136

>  <Cat> (298)
S6407

>  <Name> (298)
Tulobuterol hydrochloride

>  <Synonyms> (298)
N/A

>  <Target> (298)
Androgen Receptor

>  <Form> (298)
hydrochloride

>  <CAS> (298)
56776-01-3

>  <URL> (298)
http://www.selleck.cn/products/tulobuterol-hydrochloride.html

$$$$

csChFnd80/06282413142D

 52 55  0  0  0  0  0  0  0  0999 V2000
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 36 20  1  0  0  0  0
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 42 21  1  0  0  0  0
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M  END
>  <Mol_ID> (299)
5164

>  <Formula> (299)
C41H71N3O8

>  <MolWeight> (299)
734.01774

>  <Cat> (299)
S6423

>  <Name> (299)
Tildipirosin

>  <Synonyms> (299)
N/A

>  <Target> (299)
Antibiotics

>  <Form> (299)
Free Base

>  <CAS> (299)
328898-40-4

>  <URL> (299)
http://www.selleck.cn/products/tildipirosin.html

$$$$

csChFnd80/06282413142D

 23 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (300)
5174

>  <Formula> (300)
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>  <MolWeight> (300)
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>  <Cat> (300)
S6435

>  <Name> (300)
Mequitazine

>  <Synonyms> (300)
LM-209

>  <Target> (300)
Histamine Receptor

>  <Form> (300)
Free Base

>  <CAS> (300)
29216-28-2

>  <URL> (300)
http://www.selleck.cn/products/mequitazine.html

$$$$

csChFnd80/06282413142D

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  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (301)
5199

>  <Formula> (301)
C14H7Cl2NO3

>  <MolWeight> (301)
308.11628

>  <Cat> (301)
S6465

>  <Name> (301)
Tafamidis

>  <Synonyms> (301)
N/A

>  <Target> (301)
5-HT Receptor

>  <Form> (301)
Free Base

>  <CAS> (301)
594839-88-0

>  <URL> (301)
http://www.selleck.cn/products/tafamidis.html

$$$$

csChFnd80/06282413142D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (302)
5202

>  <Formula> (302)
C16H22N4O

>  <MolWeight> (302)
286.37208

>  <Cat> (302)
S6469

>  <Name> (302)
Thonzylamine

>  <Synonyms> (302)
Neohetramine

>  <Target> (302)
AChR,Histamine Receptor

>  <Form> (302)
Free Base

>  <CAS> (302)
91-85-0

>  <URL> (302)
http://www.selleck.cn/products/thonzylamine.html

$$$$

csChFnd80/06282413142D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (303)
5216

>  <Formula> (303)
C31H32BrNO4S2

>  <MolWeight> (303)
626.62408

>  <Cat> (303)
S7934

>  <Name> (303)
SR9243

>  <Synonyms> (303)
N/A

>  <Target> (303)
Liver X Receptor

>  <Form> (303)
Free Base

>  <CAS> (303)
1613028-81-1

>  <URL> (303)
http://www.selleck.cn/products/sr9243.html

$$$$

csChFnd80/06282413142D

 40 44  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (304)
5217

>  <Formula> (304)
C29H39ClN7O2P

>  <MolWeight> (304)
584.092421

>  <Cat> (304)
S8229

>  <Name> (304)
Brigatinib (AP26113)

>  <Synonyms> (304)
N/A

>  <Target> (304)
ALK,EGFR,FLT3,IGF-1R,ROS1

>  <Form> (304)
Free Base

>  <CAS> (304)
1197953-54-0

>  <URL> (304)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/06282413142D

 33 37  0  0  0  0  0  0  0  0999 V2000
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435-97-2,53621-47-9 (sodium salt)

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211555-08-7

>  <URL> (308)
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454453-49-7

>  <URL> (309)
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2244904-70-7

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1818314-88-3

>  <URL> (312)
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2328073-61-4

>  <URL> (313)
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>  <Mol_ID> (314)
6588

>  <Formula> (314)
C27H38O3

>  <MolWeight> (314)
410.58882

>  <Cat> (314)
S6589

>  <Name> (314)
Norethisterone Enanthate

>  <Synonyms> (314)
Norethindrone Enanthate

>  <Target> (314)
Others

>  <Form> (314)
Free Base

>  <CAS> (314)
3836-23-5

>  <URL> (314)
http://www.selleck.cn/products/norethisterone-enanthate.html

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>  <Mol_ID> (315)
6595

>  <Formula> (315)
C14H11NO2S

>  <MolWeight> (315)
257.30764

>  <Cat> (315)
S6607

>  <Name> (315)
YL-109

>  <Synonyms> (315)
N/A

>  <Target> (315)
Others

>  <Form> (315)
Free Base

>  <CAS> (315)
36341-25-0

>  <URL> (315)
http://www.selleck.cn/products/yl-109.html

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6633

>  <Formula> (316)
C21H23ClFNO2

>  <MolWeight> (316)
375.8642232

>  <Cat> (316)
S6727

>  <Name> (316)
AX-024 HCl

>  <Synonyms> (316)
N/A

>  <Target> (316)
CD markers,IFN,Interleukins,TNF-alpha

>  <Form> (316)
Hydrochloride

>  <CAS> (316)
1704801-24-0

>  <URL> (316)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/06282413142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (317)
6653

>  <Formula> (317)
C24H20N2O3

>  <MolWeight> (317)
384.4272

>  <Cat> (317)
S6752

>  <Name> (317)
Y16

>  <Synonyms> (317)
N/A

>  <Target> (317)
Rho

>  <Form> (317)
Free Base

>  <CAS> (317)
429653-73-6

>  <URL> (317)
http://www.selleck.cn/products/y16.html

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M  END
>  <Mol_ID> (318)
6719

>  <Formula> (318)
C23H19ClF2N2O3

>  <MolWeight> (318)
444.8583664

>  <Cat> (318)
S6673

>  <Name> (318)
CCG-222740

>  <Synonyms> (318)
N/A

>  <Target> (318)
Actin,Rho

>  <Form> (318)
Free Base

>  <CAS> (318)
1922098-69-8

>  <URL> (318)
http://www.selleck.cn/products/ccg-222740.html

$$$$

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M  END
>  <Mol_ID> (319)
6736

>  <Formula> (319)
C21H23N4O7PS2

>  <MolWeight> (319)
538.533681

>  <Cat> (319)
S8927

>  <Name> (319)
GSK2983559 (compound 3)

>  <Synonyms> (319)
RIP2 kinase inhibitor 1, RIPK2-IN-1

>  <Target> (319)
RIP kinase

>  <Form> (319)
Free Base

>  <CAS> (319)
1579965-12-0

>  <URL> (319)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (320)
6753

>  <Formula> (320)
C15H13N3O2S

>  <MolWeight> (320)
299.34762

>  <Cat> (320)
S2418

>  <Name> (320)
Frentizole

>  <Synonyms> (320)
Frentizol

>  <Target> (320)
Beta Amyloid

>  <Form> (320)
Free Base

>  <CAS> (320)
26130-02-9

>  <URL> (320)
http://www.selleck.cn/products/frentizole.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (321)
6759

>  <Formula> (321)
C25H24N2O6

>  <MolWeight> (321)
448.46786

>  <Cat> (321)
S2436

>  <Name> (321)
Pranidipine

>  <Synonyms> (321)
Acalas, OPC 13340

>  <Target> (321)
Calcium Channel

>  <Form> (321)
Free Base

>  <CAS> (321)
99522-79-9

>  <URL> (321)
http://www.selleck.cn/products/pranidipine.html

$$$$

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 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
  3 37  1  1  0  0  0
  2 38  1  1  0  0  0
M  END
>  <Mol_ID> (322)
6760

>  <Formula> (322)
C23H30Cl2NNa2O6P

>  <MolWeight> (322)
564.346701

>  <Cat> (322)
S2441

>  <Name> (322)
Estramustine phosphate sodium

>  <Synonyms> (322)
EMP, Emcyt, Estracyt

>  <Target> (322)
Microtubule Associated

>  <Form> (322)
phosphate sodium

>  <CAS> (322)
52205-73-9

>  <URL> (322)
http://www.selleck.cn/products/estramustine-phosphate-sodium.html

$$$$

csChFnd80/06282413142D

 18 19  0  0  0  0  0  0  0  0999 V2000
   11.5290    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9290    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
   13.6290    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  7 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 14  1  0  0  0  0
  2  5  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
>  <Mol_ID> (323)
6761

>  <Formula> (323)
C13H17N3O2

>  <MolWeight> (323)
247.29298

>  <Cat> (323)
S2444

>  <Name> (323)
Parbendazole

>  <Synonyms> (323)
SKF 29044

>  <Target> (323)
Microtubule Associated

>  <Form> (323)
Free Base

>  <CAS> (323)
14255-87-9

>  <URL> (323)
http://www.selleck.cn/products/parbendazole.html

$$$$

csChFnd80/06282413142D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 F   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
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 O   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
   10.9119    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5 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
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (324)
6788

>  <Formula> (324)
C15H11ClF3NO

>  <MolWeight> (324)
313.7021496

>  <Cat> (324)
S8951

>  <Name> (324)
TED-347

>  <Synonyms> (324)
N/A

>  <Target> (324)
TEAD,YAP

>  <Form> (324)
Free Base

>  <CAS> (324)
2378626-29-8

>  <URL> (324)
http://www.selleckchem.com/products/ted-347.html

$$$$

csChFnd80/06282413142D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6405    7.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4280    7.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    7.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2060    5.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4171    5.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6323    5.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8553    7.9377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1553    9.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5553    6.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0653    8.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9936    5.1529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154    5.7295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4698    3.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9873    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  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
 13 16  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 23 26  1  0  0  0  0
 15 20  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (325)
6801

>  <Formula> (325)
C16H11F4N3O2S

>  <MolWeight> (325)
385.3360528

>  <Cat> (325)
S6685

>  <Name> (325)
Mavacoxib

>  <Synonyms> (325)
Trocoxil

>  <Target> (325)
COX

>  <Form> (325)
Free Base

>  <CAS> (325)
170569-88-7

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

$$$$

csChFnd80/06282413142D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0911    4.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7939    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    3.6314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    4.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (326)
6822

>  <Formula> (326)
C12H8ClNO4S

>  <MolWeight> (326)
297.71422

>  <Cat> (326)
S6796

>  <Name> (326)
BTB-1

>  <Synonyms> (326)
N/A

>  <Target> (326)
Kinesin

>  <Form> (326)
Free Base

>  <CAS> (326)
86030-08-2

>  <URL> (326)
http://www.selleckchem.com/products/btb-1.html

$$$$

csChFnd80/06282413142D

 27 29  0  0  0  0  0  0  0  0999 V2000
   14.8233    6.1668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4539    5.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5865    3.9140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5233    4.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9156    4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7693    3.4157    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.3080    4.6617    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.0620    6.2004    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.4834    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
  1  5  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
  5  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 19 24  1  0  0  0  0
 13 16  1  0  0  0  0
 14 26  1  0  0  0  0
 12 27  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (327)
6871

>  <Formula> (327)
C18H18F3N3O3

>  <MolWeight> (327)
381.3490296

>  <Cat> (327)
S0436

>  <Name> (327)
Pleconaril

>  <Synonyms> (327)
APO-P001, Picovir, VP 63843, WIN 63843

>  <Target> (327)
Enterovirus

>  <Form> (327)
Free Base

>  <CAS> (327)
153168-05-9

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

$$$$

csChFnd80/06282413142D

 45 48  0  0  0  0  0  0  0  0999 V2000
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    2.1544    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    2.0951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    8.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107    4.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7336    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107    6.7253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0651    6.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0651    7.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7336    7.8580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5792    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3419    3.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2107    7.9378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1055    8.3621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8144    9.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   10.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    9.2274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2775    5.3253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4900    6.0253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4900    7.4253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7336    6.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    8.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1929   11.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7223    8.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1055    6.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    4.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5800    4.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    4.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4028    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0404    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7860    3.6427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0269    1.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6928    1.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 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  1  1  0  0  0  0
 14 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 11  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  1  0  0  0  0
 10 23  1  0  0  0  0
 17 24  2  0  0  0  0
 19 25  1  6  0  0  0
 21 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
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 26  1  0  0  0  0
 20 30  1  0  0  0  0
 22 33  1  1  0  0  0
 25 34  1  0  0  0  0
 28 35  2  0  0  0  0
 32 36  1  1  0  0  0
 26 37  1  1  0  0  0
 30 38  1  1  0  0  0
 31 38  1  6  0  0  0
 30 39  1  0  0  0  0
 20 40  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (328)
6887

>  <Formula> (328)
C32H43ClN2O9

>  <MolWeight> (328)
635.14482

>  <Cat> (328)
S2447

>  <Name> (328)
Ansamitocin p-3 (Maytansinol isobutyrate, NSC292222)

>  <Synonyms> (328)
Antibiotic C 15003P3

>  <Target> (328)
ADC Cytotoxin,Microtubule Associated

>  <Form> (328)
Free Base

>  <CAS> (328)
66584-72-3

>  <URL> (328)
http://www.selleckchem.com/products/ansamitocin-p-3-maytansinol-isobutyrate.html

$$$$

csChFnd80/06282413142D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8437    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6934    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6934    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    4.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5411    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5411    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    8.3988    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7536    6.9988    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3012    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
  9 29  1  0  0  0  0
M  END
>  <Mol_ID> (329)
6964

>  <Formula> (329)
C23H29Cl2N3O

>  <MolWeight> (329)
434.40186

>  <Cat> (329)
S0346

>  <Name> (329)
NAcM-OPT

>  <Synonyms> (329)
N/A

>  <Target> (329)
ADC Cytotoxin,E2 conjugating

>  <Form> (329)
free base

>  <CAS> (329)
2089293-61-6

>  <URL> (329)
http://www.selleckchem.com/products/nacm-opt.html

$$$$

csChFnd80/06282413142D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.6644    0.7534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    7.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    6.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.2390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    8.4425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0993    9.3087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    1.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    5.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    4.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    6.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    7.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    8.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    7.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   10.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    7.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 15  2  0  0  0  0
  3 20  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 24  1  0  0  0  0
  6 27  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  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
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (330)
6972

>  <Formula> (330)
C22H16ClN3O2

>  <MolWeight> (330)
389.83434

>  <Cat> (330)
S0444

>  <Name> (330)
Indibulin

>  <Synonyms> (330)
ZIO 301, D 24851, Zybulin

>  <Target> (330)
Apoptosis related,Microtubule Associated

>  <Form> (330)
free base

>  <CAS> (330)
204205-90-3

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

$$$$

csChFnd80/06282413142D

 65 71  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4952    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
    2.4250    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    9.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    9.6029    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
    3.6332    5.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    6.2904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539    5.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    6.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    7.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539    8.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    8.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6871    7.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8995    8.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8995    9.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6871   10.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    9.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1078   10.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3160    9.7881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1078   11.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5243   10.4856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7325    9.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5343   11.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5142   11.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7325    8.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9450    7.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1575    8.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1575    9.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9450   10.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3657    7.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5739    8.3881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.7823    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5739    9.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7823   10.4808    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.9947    9.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9947    8.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2071    7.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4196    8.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4196    9.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2071   10.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7823    6.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9905    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  2  0  0  0  0
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 29 30  1  0  0  0  0
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 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 53  1  0  0  0  0
 37 59  1  0  0  0  0
 59 60  1  0  0  0  0
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 45 46  1  0  0  0  0
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M  END
>  <Mol_ID> (331)
7001

>  <Formula> (331)
C47H55ClF3N5O6S3

>  <MolWeight> (331)
974.6127096

>  <Cat> (331)
S1001

>  <Name> (331)
Navitoclax (ABT-263)

>  <Synonyms> (331)
N/A

>  <Target> (331)
Bcl-2

>  <Form> (331)
free base

>  <CAS> (331)
923564-51-6

>  <URL> (331)
http://www.selleckchem.com/products/ABT-263.html

$$$$

csChFnd80/06282413142D

 37 39  0  0  0  0  0  0  0  0999 V2000
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   12.8812   10.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0978   10.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0978   12.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8812   12.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8812   14.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4521   12.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6687    7.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  3  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
 11 13  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
 14 13  1  1  0  0  0
 19 20  1  1  0  0  0
 16 21  1  1  0  0  0
 18 22  1  6  0  0  0
 16 23  1  6  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 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
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M  END
>  <Mol_ID> (332)
7078

>  <Formula> (332)
C25H24O12

>  <MolWeight> (332)
516.45086

>  <Cat> (332)
S3301

>  <Name> (332)
Cynarin

>  <Synonyms> (332)
Cynarine

>  <Target> (332)
CD markers,Glutathione,Nrf2,ROS

>  <Form> (332)
free base

>  <CAS> (332)
30964-13-7

>  <URL> (332)
http://www.selleckchem.com/products/cynarin.html

$$$$

csChFnd80/06282413142D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    9.7096    6.3040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6506    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0705    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
  2 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
  4  2  1  0  0  0  0
  4 23  1  1  0  0  0
M  END
>  <Mol_ID> (333)
7100

>  <Formula> (333)
C20H20N2O

>  <MolWeight> (333)
304.3856

>  <Cat> (333)
S6845

>  <Name> (333)
GRL0617

>  <Synonyms> (333)
N/A

>  <Target> (333)
DUB,SARS-CoV

>  <Form> (333)
free base

>  <CAS> (333)
1093070-16-6

>  <URL> (333)
http://www.selleckchem.com/products/grl0617.html

$$$$

csChFnd80/06282413142D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 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
M  END
>  <Mol_ID> (334)
7101

>  <Formula> (334)
C15H18Cl2N2O2S

>  <MolWeight> (334)
361.28662

>  <Cat> (334)
S6847

>  <Name> (334)
ML-9 HCl

>  <Synonyms> (334)
ML-9 hydrochloride

>  <Target> (334)
Akt,Autophagy,Calcium Channel,MLCK

>  <Form> (334)
hydrochloride

>  <CAS> (334)
105637-50-1

>  <URL> (334)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/06282413142D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 F   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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    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
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
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 10 11  2  0  0  0  0
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  9 14  2  0  0  0  0
 17 18  2  0  0  0  0
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 24 25  2  0  0  0  0
 17 25  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 16 24  1  0  0  0  0
 15 16  1  0  0  0  0
 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (335)
7120

>  <Formula> (335)
C15H13F3N6O2

>  <MolWeight> (335)
366.2979296

>  <Cat> (335)
S6893

>  <Name> (335)
PIN1 inhibitor API-1

>  <Synonyms> (335)
N/A

>  <Target> (335)
DNA/RNA Synthesis

>  <Form> (335)
free base

>  <CAS> (335)
680622-70-2

>  <URL> (335)
http://www.selleckchem.com/products/pin1-inhibitor-api-1.html

$$$$

csChFnd80/06282413142D

 38 41  0  0  0  0  0  0  0  0999 V2000
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    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   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
   10.9120    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
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   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7570    6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3946    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1822    6.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1166    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  1  0  0  0  0
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  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
 16 17  1  0  0  0  0
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 15 16  1  0  0  0  0
 13 14  1  0  0  0  0
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 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
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 31 36  2  0  0  0  0
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M  END
>  <Mol_ID> (336)
7124

>  <Formula> (336)
C33H36N2O3

>  <MolWeight> (336)
508.65054

>  <Cat> (336)
S6905

>  <Name> (336)
MCP110

>  <Synonyms> (336)
N/A

>  <Target> (336)
Raf,Ras

>  <Form> (336)
free base

>  <CAS> (336)
521310-51-0

>  <URL> (336)
http://www.selleckchem.com/products/mcp110.html

$$$$

csChFnd80/06282413142D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    8.8168    6.1715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6043    5.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877    1.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3877    2.7433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  1  5  1  0  0  0  0
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  2  6  1  1  0  0  0
 10 11  1  0  0  0  0
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 13 20  1  0  0  0  0
  9 10  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (337)
7132

>  <Formula> (337)
C27H33N5O4S

>  <MolWeight> (337)
523.64702

>  <Cat> (337)
S8449

>  <Name> (337)
VH298

>  <Synonyms> (337)
N/A

>  <Target> (337)
E3 Ligase ,HIF,PROTAC

>  <Form> (337)
free base

>  <CAS> (337)
2097381-85-4

>  <URL> (337)
http://www.selleckchem.com/products/vh298.html

$$$$

csChFnd80/06282413142D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (338)
7145

>  <Formula> (338)
C25H16Cl2F6N2O2

>  <MolWeight> (338)
561.3031592

>  <Cat> (338)
S8906

>  <Name> (338)
MYCi975

>  <Synonyms> (338)
NUCC-0200975

>  <Target> (338)
Myc

>  <Form> (338)
free base

>  <CAS> (338)
2289691-01-4

>  <URL> (338)
http://www.selleckchem.com/products/myci975.html

$$$$

csChFnd80/06282413142D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (339)
7146

>  <Formula> (339)
C23H25F3N4O3

>  <MolWeight> (339)
462.4648096

>  <Cat> (339)
S8916

>  <Name> (339)
BI-3406

>  <Synonyms> (339)
N/A

>  <Target> (339)
Ras

>  <Form> (339)
free base

>  <CAS> (339)
2230836-55-0

>  <URL> (339)
http://www.selleckchem.com/products/bi-3406.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (340)
7164

>  <Formula> (340)
C35H34N2O7

>  <MolWeight> (340)
594.65366

>  <Cat> (340)
S9610

>  <Name> (340)
BMS-1001

>  <Synonyms> (340)
N/A

>  <Target> (340)
PD-1/PD-L1

>  <Form> (340)
free base

>  <CAS> (340)
2113650-03-4

>  <URL> (340)
http://www.selleckchem.com/products/bms-1001.html

$$$$

csChFnd80/06282413142D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2 25  2  0  0  0  0
  5  3  1  0  0  0  0
  3 11  1  0  0  0  0
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  4 25  1  0  0  0  0
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  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
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  8 16  2  0  0  0  0
 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (341)
7191

>  <Formula> (341)
C22H22N2O2

>  <MolWeight> (341)
346.42228

>  <Cat> (341)
S0515

>  <Name> (341)
PLpro inhibitor

>  <Synonyms> (341)
N/A

>  <Target> (341)
DUB,SARS-CoV

>  <Form> (341)
Free Base

>  <CAS> (341)
1093070-14-4

>  <URL> (341)
https://www.selleckchem.com/products/plpro-inhibitor.html

$$$$

csChFnd80/06282413142D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  CFW   6 B_NG_STER 3
M  END
>  <Mol_ID> (342)
7337

>  <Formula> (342)
C14H12N2O4

>  <MolWeight> (342)
272.25608

>  <Cat> (342)
S0856

>  <Name> (342)
KM91104

>  <Synonyms> (342)
N/A

>  <Target> (342)
ATPase

>  <Form> (342)
Free Base

>  <CAS> (342)
304481-60-5

>  <URL> (342)
https://www.selleckchem.com/products/km91104.html

$$$$

csChFnd80/06282413142D

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   12.6938    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8709    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0861    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4403    5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6556    4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8327    6.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (343)
7339

>  <Formula> (343)
C20H31NO3

>  <MolWeight> (343)
333.46504

>  <Cat> (343)
S0869

>  <Name> (343)
Carbetapentane

>  <Synonyms> (343)
Pentoxyverine, CB

>  <Target> (343)
Sigma Receptor

>  <Form> (343)
Free Base

>  <CAS> (343)
77-23-6

>  <URL> (343)
https://www.selleckchem.com/products/carbetapentane.html

$$$$

csChFnd80/06282413142D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  3  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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    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
   12.1244    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
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 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
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (344)
7342

>  <Formula> (344)
C19H15N3O5

>  <MolWeight> (344)
365.3395

>  <Cat> (344)
S0884

>  <Name> (344)
RA-9

>  <Synonyms> (344)
N/A

>  <Target> (344)
Apoptosis related,DUB

>  <Form> (344)
Free Base

>  <CAS> (344)
919091-63-7

>  <URL> (344)
https://www.selleckchem.com/products/ra-9.html

$$$$

csChFnd80/06282413142D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.9064    4.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1174    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    4.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682    3.0054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9940    1.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4605    4.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2064    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188    1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523    4.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7536    2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1218    2.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6085    4.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5493    3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0359    6.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (345)
7349

>  <Formula> (345)
C18H19N3O2S

>  <MolWeight> (345)
341.42736

>  <Cat> (345)
S1027

>  <Name> (345)
FL-411

>  <Synonyms> (345)
BRD4-IN-1

>  <Target> (345)
Autophagy,Epigenetic Reader Domain

>  <Form> (345)
Free Base

>  <CAS> (345)
2118944-88-8

>  <URL> (345)
https://www.selleckchem.com/products/fl-411.html

$$$$

csChFnd80/06282413142D

 45 48  0  0  0  0  0  0  0  0999 V2000
   18.4813    5.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6937    6.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9062    5.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4813    3.9822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2688    6.0822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0564    5.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8440    6.0822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8440    7.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6315    8.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6315    9.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4205   10.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2195    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2195    8.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4271    7.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2067    5.3822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8440    3.2822    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  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
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 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 19 23  1  0  0  0  0
 22 29  1  0  0  0  0
 17 21  1  0  0  0  0
 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 34 39  2  0  0  0  0
 40 41  1  0  0  0  0
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 37 40  1  0  0  0  0
 33 34  1  0  0  0  0
 33 44  2  0  0  0  0
 31 45  1  0  0  0  0
 30 31  1  0  0  0  0
  7 30  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (346)
7359

>  <Formula> (346)
C35H36F3N3O4

>  <MolWeight> (346)
619.6732496

>  <Cat> (346)
S2798

>  <Name> (346)
GW6471

>  <Synonyms> (346)
N/A

>  <Target> (346)
PPAR

>  <Form> (346)
Free Base

>  <CAS> (346)
880635-03-0 (436159-64-7 deprecated)

>  <URL> (346)
https://www.selleckchem.com/products/gw6471.html

$$$$

csChFnd80/06282413142D

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.2817    7.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4650    9.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2220    1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0049    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1502    9.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9415    5.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    9.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    8.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2135    6.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2261    9.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    6.8379    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  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  6  0  0  0
  9 14  1  0  0  0  0
  7 11  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 25 26  1  0  0  0  0
 27 32  1  0  0  0  0
 22 25  1  0  0  0  0
  2 19  1  0  0  0  0
M  END
>  <Mol_ID> (347)
7495

>  <Formula> (347)
C22H27ClN4O5

>  <MolWeight> (347)
462.92658

>  <Cat> (347)
S6921

>  <Name> (347)
Dorzagliatin

>  <Synonyms> (347)
HMS-5552, RO-5305552, Sinogliatin

>  <Target> (347)
Carbohydrate Metabolism

>  <Form> (347)
Free Base

>  <CAS> (347)
1191995-00-2

>  <URL> (347)
https://www.selleckchem.com/products/dorzagliatin.html

$$$$

csChFnd80/06282413142D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    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
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889    5.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    6.7180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5977    6.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3852    8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    8.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2059    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5059   10.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  3 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  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
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (348)
7541

>  <Formula> (348)
C19H15Cl2NO3

>  <MolWeight> (348)
376.2333

>  <Cat> (348)
S9718

>  <Name> (348)
TK216

>  <Synonyms> (348)
ONCT 216, SPH-8216

>  <Target> (348)
DNA/RNA Synthesis

>  <Form> (348)
Free Base

>  <CAS> (348)
1903783-48-1

>  <URL> (348)
https://www.selleckchem.com/products/tk216.html

$$$$

csChFnd80/06282413142D

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.6997    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    1.4002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2748    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1001    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    5.5499    3.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1501    0.8876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 10  1  0  0  0  0
  4  7  1  0  0  0  0
  2 14  1  1  0  0  0
M  END
>  <Mol_ID> (349)
7543

>  <Formula> (349)
C8H18N2O3S

>  <MolWeight> (349)
222.30512

>  <Cat> (349)
S9728

>  <Name> (349)
BSO (L-Buthionine-(S,R)-sulfoximine)

>  <Synonyms> (349)
L-Buthionine sulfoximine, l-BSO

>  <Target> (349)
¦ÃGCS

>  <Form> (349)
Free Base

>  <CAS> (349)
83730-53-4

>  <URL> (349)
https://www.selleckchem.com/products/bso-l-buthionine-s-r-sulfoximine.html

$$$$

csChFnd80/06282413142D

 27 31  0  0  0  0  0  0  0  0999 V2000
    3.7171    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  2  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  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
  9 18  2  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (350)
7555

>  <Formula> (350)
C20H12O7

>  <MolWeight> (350)
364.30508

>  <Cat> (350)
S5978

>  <Name> (350)
Gallein

>  <Synonyms> (350)
Pyrogallol phthalein

>  <Target> (350)
Dyes,PI3K

>  <Form> (350)
Free Base

>  <CAS> (350)
2103-64-2

>  <URL> (350)
http://www.selleckchem.com/products/gallein.html

$$$$

csChFnd80/06282413142D

 30 34  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6902    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7534    3.4653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0902    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7902    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0902    2.4249    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
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
  4 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  5  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (351)
7563

>  <Formula> (351)
C24H24N2O3S

>  <MolWeight> (351)
420.52396

>  <Cat> (351)
S9724

>  <Name> (351)
SZL P1-41

>  <Synonyms> (351)
N/A

>  <Target> (351)
Apoptosis related,E3 Ligase 

>  <Form> (351)
Free Base

>  <CAS> (351)
222716-34-9

>  <URL> (351)
http://www.selleckchem.com/products/szl-p1-41.html

$$$$

csChFnd80/06282413142D

 17 15  0  0  0  0  0  0  0  0999 V2000
    5.3214    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4873    0.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    1.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    1.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    1.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  2  0  0  0  0
  8 17  2  0  0  0  0
  9 12  1  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
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (352)
7614

>  <Formula> (352)
C9H16ClO6P

>  <MolWeight> (352)
286.646501

>  <Cat> (352)
S4611

>  <Name> (352)
TCEP Hydrochloride

>  <Synonyms> (352)
Tris(2-?carboxyethyl)?phosphine Hydrochloride

>  <Target> (352)
NF-¦ÊB

>  <Form> (352)
Hydrochloride

>  <CAS> (352)
51805-45-9

>  <URL> (352)
http://www.selleckchem.com/products/tcep-hydrochloride.html

$$$$

csChFnd80/06282413142D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2 15  1  0  0  0  0
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  4 27  1  0  0  0  0
  5 27  2  0  0  0  0
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  6  8  1  0  0  0  0
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  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (353)
7680

>  <Formula> (353)
C21H19NO5

>  <MolWeight> (353)
365.37926

>  <Cat> (353)
S0235

>  <Name> (353)
Lavendustin B

>  <Synonyms> (353)
N/A

>  <Target> (353)
GLUT,Integrase

>  <Form> (353)
Free Base

>  <CAS> (353)
125697-91-8

>  <URL> (353)
http://www.selleckchem.com/products/lavendustin-b.html

$$$$

csChFnd80/06282413142D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0623    4.2001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2155    6.5835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9155    5.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (354)
7686

>  <Formula> (354)
C17H22N2OS

>  <MolWeight> (354)
302.43438

>  <Cat> (354)
S5080

>  <Name> (354)
Neticonazole

>  <Synonyms> (354)
SS717

>  <Target> (354)
Fungal

>  <Form> (354)
Free Base

>  <CAS> (354)
130726-68-0

>  <URL> (354)
http://www.selleckchem.com/products/neticonazole.html

$$$$

csChFnd80/06282413142D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2628    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    2.9656    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    2.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    3.8870    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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 16 27  2  0  0  0  0
 16 28  2  0  0  0  0
M  END
>  <Mol_ID> (355)
7691

>  <Formula> (355)
C20H13BrN2O3S2

>  <MolWeight> (355)
473.36282

>  <Cat> (355)
S9670

>  <Name> (355)
Pitstop 2

>  <Synonyms> (355)
N/A

>  <Target> (355)
Others

>  <Form> (355)
Free Base

>  <CAS> (355)
1332879-52-3

>  <URL> (355)
http://www.selleckchem.com/products/pitstop-2.html

$$$$

csChFnd80/06282413142D

 36 41  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  6  0  0  0
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  3 17  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 34  1  0  0  0  0
 27 35  2  0  0  0  0
 28 32  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  2  0  0  0  0
 31 33  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (356)
7711

>  <Formula> (356)
C31H30N4O

>  <MolWeight> (356)
474.5961

>  <Cat> (356)
S3472

>  <Name> (356)
Metarrestin (ML246)

>  <Synonyms> (356)
N/A

>  <Target> (356)
DNA/RNA Synthesis

>  <Form> (356)
Free Base

>  <CAS> (356)
1443414-10-5

>  <URL> (356)
http://www.selleckchem.com/products/metarrestin.html

$$$$

csChFnd80/06282413142D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 26  1  0  0  0  0
  3 20  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 22 26  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (357)
7761

>  <Formula> (357)
C26H29NO2

>  <MolWeight> (357)
387.51396

>  <Cat> (357)
S8956

>  <Name> (357)
(Z)-4-Hydroxytamoxifen

>  <Synonyms> (357)
(Z)-4-OHT, trans-4-Hydroxytamoxifen, 4-Monohydroxytamoxifen

>  <Target> (357)
Estrogen/progestogen Receptor

>  <Form> (357)
Free Base

>  <CAS> (357)
68047-06-3

>  <URL> (357)
http://www.selleckchem.com/products/z-4-hydroxytamoxifen.html

$$$$

csChFnd80/06282413142D

 24 25  0  0  0  0  0  0  0  0999 V2000
   13.3458    5.6085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    1.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0693    0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    0.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7057    3.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9176    1.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3464    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2814    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0693    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    3.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5626    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    1.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3458    4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5624    3.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 19  1  0  0  0  0
  2 24  1  0  0  0  0
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  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 10 17  1  0  0  0  0
 12 16  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 15 19  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (358)
7788

>  <Formula> (358)
C18H16ClNO4

>  <MolWeight> (358)
345.77694

>  <Cat> (358)
S2973

>  <Name> (358)
SEC inhibitor KL-1

>  <Synonyms> (358)
KL-1

>  <Target> (358)
Others

>  <Form> (358)
Free Base

>  <CAS> (358)
900308-84-1

>  <URL> (358)
http://www.selleckchem.com/products/sec-inhibitor-kl-1.html

$$$$

csChFnd80/06282413142D

 44 48  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 23  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
 29 32  1  0  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  6  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  2  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (359)
7812

>  <Formula> (359)
C32H47FN6O4S

>  <MolWeight> (359)
630.8167832

>  <Cat> (359)
S8996

>  <Name> (359)
Revumenib

>  <Synonyms> (359)
SNDX-5613

>  <Target> (359)
MLL

>  <Form> (359)
Free Base

>  <CAS> (359)
2169919-21-3

>  <URL> (359)
http://www.selleckchem.com/products/sndx-5613.html

$$$$

csChFnd80/06282413142D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  2 13  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
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  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (360)
7842

>  <Formula> (360)
C8H4Cl2N2O2

>  <MolWeight> (360)
231.03556

>  <Cat> (360)
E0030

>  <Name> (360)
NS309

>  <Synonyms> (360)
N/A

>  <Target> (360)
Potassium Channel

>  <Form> (360)
Free Base

>  <CAS> (360)
18711-16-5

>  <URL> (360)
http://www.selleckchem.com/products/ns309.html

$$$$

csChFnd80/06282413142D

 28 29  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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4 26  2  0  0  0  0
  5 27  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 26  1  0  0  0  0
  8 28  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (361)
7849

>  <Formula> (361)
C19H24N4O4S

>  <MolWeight> (361)
404.48326

>  <Cat> (361)
S0187

>  <Name> (361)
M2I-1

>  <Synonyms> (361)
N/A

>  <Target> (361)
Mad2

>  <Form> (361)
Free Base

>  <CAS> (361)
312271-03-7

>  <URL> (361)
http://www.selleckchem.com/products/m2i-1.html

$$$$

csChFnd80/06282413142D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.9114    0.7294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3454    0.7065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3412    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9864    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4885    2.1283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7820    2.1126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2771    2.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000    2.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5776    1.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9765    4.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9114    2.1283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8542    2.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    2.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3454    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1229    4.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5557    2.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3412    4.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5557    4.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5583    0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7820    0.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  1  0  0  0
  2 16  1  0  0  0  0
  2 25  1  0  0  0  0
  3 21  1  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 23 26  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (362)
7891

>  <Formula> (362)
C21H26N2O5

>  <MolWeight> (362)
386.44154

>  <Cat> (362)
S4485

>  <Name> (362)
Olodaterol (BI 1744)

>  <Synonyms> (362)
N/A

>  <Target> (362)
Adrenergic Receptor

>  <Form> (362)
Free Base

>  <CAS> (362)
868049-49-4

>  <URL> (362)
http://www.selleckchem.com/products/olodaterol-bi-1744-.html

$$$$

csChFnd80/06282413142D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800    3.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7218    4.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    4.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    3.8574    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
    5.7792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5801    4.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    7.7699    6.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1503    8.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4812    7.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 21  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (363)
7901

>  <Formula> (363)
C17H11Cl2N3O2

>  <MolWeight> (363)
360.19414

>  <Cat> (363)
S6085

>  <Name> (363)
KY19382 (A3051)

>  <Synonyms> (363)
N/A

>  <Target> (363)
GSK-3,Wnt/beta-catenin

>  <Form> (363)
Free Base

>  <CAS> (363)
2226664-93-1

>  <URL> (363)
http://www.selleckchem.com/products/ky19382-a3051.html

$$$$

csChFnd80/06282413142D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.0150    3.5188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    8.4543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1732    6.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    7.1229    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1015    6.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3925    5.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7239    4.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    7.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  2  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  5 18  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (364)
7928

>  <Formula> (364)
C17H16BrNO3S

>  <MolWeight> (364)
394.28284

>  <Cat> (364)
S6954

>  <Name> (364)
CK-869

>  <Synonyms> (364)
CK 0157869

>  <Target> (364)
Microtubule Associated

>  <Form> (364)
Free Base

>  <CAS> (364)
388592-44-7

>  <URL> (364)
http://www.selleckchem.com/products/ck-869.html

$$$$

csChFnd80/06282413142D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7404   10.4604    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    2.2447    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5856    6.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    6.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    2.3480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5701    5.4149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0907    1.9469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4431    4.3203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2972    4.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6088    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2207    5.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    6.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3514    7.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    8.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439    9.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3478    9.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 17  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  1  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 22  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 23  2  0  0  0  0
 18 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> (365)
7936

>  <Formula> (365)
C19H17ClN4O2S

>  <MolWeight> (365)
400.88188

>  <Cat> (365)
S6993

>  <Name> (365)
(+)-JQ1 carboxylic acid

>  <Synonyms> (365)
(+)-JQ1-COOH

>  <Target> (365)
BET

>  <Form> (365)
Free Base

>  <CAS> (365)
202592-23-2

>  <URL> (365)
http://www.selleckchem.com/products/jq-1-carboxylic-acid.html

$$$$

csChFnd80/06282413142D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (366)
7980

>  <Formula> (366)
C2H5N3O2

>  <MolWeight> (366)
103.08

>  <Cat> (366)
E0158

>  <Name> (366)
N-Nitroso-N-methylurea

>  <Synonyms> (366)
NMU, MNU, NMH, 1-Methyl-1-nitrosourea, N-Methyl-Nnitrosourea, Methylnitrosourea

>  <Target> (366)
Others

>  <Form> (366)
Free Base

>  <CAS> (366)
684-93-5

>  <URL> (366)
http://www.selleckchem.com/products/n-nitroso-n-methylurea.html

$$$$

csChFnd80/06282413142D

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 13 16  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (367)
8012

>  <Formula> (367)
C15H9BrN2O3S

>  <MolWeight> (367)
377.21256

>  <Cat> (367)
E1042

>  <Name> (367)
SMIFH2

>  <Synonyms> (367)
N/A

>  <Target> (367)
Actin

>  <Form> (367)
Free Base

>  <CAS> (367)
340316-62-3

>  <URL> (367)
http://www.selleckchem.com/products/smifh2.html

$$$$

csChFnd80/06282413142D

 33 34  0  0  0  0  0  0  0  0999 V2000
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A   33
E
M  END
>  <Mol_ID> (368)
8042

>  <Formula> (368)
C24H27N3O4RS

>  <MolWeight> (368)
453.55388

>  <Cat> (368)
S3408

>  <Name> (368)
A286982

>  <Synonyms> (368)
N/A

>  <Target> (368)
Integrin

>  <Form> (368)
Free Base

>  <CAS> (368)
280749-17-9

>  <URL> (368)
http://www.selleckchem.com/products/a286982.html

$$$$

csChFnd80/06282413142D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (369)
8067

>  <Formula> (369)
C18H17FN2O

>  <MolWeight> (369)
296.3387832

>  <Cat> (369)
S7690

>  <Name> (369)
CK-666

>  <Synonyms> (369)
N/A

>  <Target> (369)
Actin

>  <Form> (369)
Free Base

>  <CAS> (369)
442633-00-3

>  <URL> (369)
http://www.selleckchem.com/products/ck-666.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (370)
8232

>  <Formula> (370)
C19H26ClN7O

>  <MolWeight> (370)
403.90904

>  <Cat> (370)
S0734

>  <Name> (370)
Aminopurvalanol A

>  <Synonyms> (370)
N/A

>  <Target> (370)
CDK

>  <Form> (370)
free base

>  <CAS> (370)
220792-57-4

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

$$$$

csChFnd80/06282413142D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0  0  0  0
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M  END
>  <Mol_ID> (371)
8264

>  <Formula> (371)
C10H8Cl2N4OS

>  <MolWeight> (371)
303.16772

>  <Cat> (371)
S1991

>  <Name> (371)
iKIX1

>  <Synonyms> (371)
N/A

>  <Target> (371)
Fungal

>  <Form> (371)
free base

>  <CAS> (371)
656222-54-7

>  <URL> (371)
http://www.selleckchem.com/products/ikix1.html

$$$$

csChFnd80/06282413142D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
  2 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 17 20  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (372)
8274

>  <Formula> (372)
C17H18ClN3O

>  <MolWeight> (372)
315.79732

>  <Cat> (372)
S3374

>  <Name> (372)
Verubulin hydrochloride

>  <Synonyms> (372)
MPC 6827 hydrochloride

>  <Target> (372)
Microtubule Associated

>  <Form> (372)
hydrochloride

>  <CAS> (372)
917369-31-4

>  <URL> (372)
http://www.selleckchem.com/products/verubulin-hydrochloride.html

$$$$

csChFnd80/06282413142D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0655    2.0985    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.9154    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1264    2.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9154    4.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1264    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3409    4.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (373)
8302

>  <Formula> (373)
C20H19NO3

>  <MolWeight> (373)
321.36976

>  <Cat> (373)
S6960

>  <Name> (373)
Auxinole

>  <Synonyms> (373)
N/A

>  <Target> (373)
Others

>  <Form> (373)
free base

>  <CAS> (373)
86445-22-9

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

$$$$

csChFnd80/06282413142D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6993    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  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
 11 16  2  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
 12 17  1  0  0  0  0
 10 11  1  0  0  0  0
  6 21  1  0  0  0  0
  4 22  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (374)
8403

>  <Formula> (374)
C16H16F3NO2S

>  <MolWeight> (374)
343.3639496

>  <Cat> (374)
E0778

>  <Name> (374)
o-3M3FBS

>  <Target> (374)
Calcium Channel

>  <Form> (374)
free base

>  <CAS> (374)
313981-55-4

>  <URL> (374)
http://www.selleckchem.com/products/o-3m3fbs.html

$$$$

csChFnd80/06282413142D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2744    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9782    2.2305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 15  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
  5 18  1  0  0  0  0
M  END
>  <Mol_ID> (375)
8418

>  <Formula> (375)
C12H11N3O4S

>  <MolWeight> (375)
293.29844

>  <Cat> (375)
E0794

>  <Name> (375)
MID-1

>  <Target> (375)
IGF-1R

>  <Form> (375)
free base

>  <CAS> (375)
312608-54-1

>  <URL> (375)
http://www.selleckchem.com/products/mid-1.html

$$$$

csChFnd80/06282413142D

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8000    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3988    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6111    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6111    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8236    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 13 26  1  0  0  0  0
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 14 32  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
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 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (376)
8424

>  <Formula> (376)
C23H25N3O4S2

>  <MolWeight> (376)
471.5923

>  <Cat> (376)
E0808

>  <Name> (376)
BI-6C9

>  <Target> (376)
Apoptosis related

>  <Form> (376)
free base

>  <CAS> (376)
791835-21-7

>  <URL> (376)
http://www.selleckchem.com/products/bl-6C9.html

$$$$

csChFnd80/06282413142D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2785    6.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0560    4.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  0  0  0  0
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 26 23  2  0  0  0  0
  7  6  2  0  0  0  0
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 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (377)
8441

>  <Formula> (377)
C22H18N2OS

>  <MolWeight> (377)
358.45612

>  <Cat> (377)
E0936

>  <Name> (377)
IGS-1.76

>  <Target> (377)
Calcium Channel

>  <Form> (377)
free base

>  <CAS> (377)
313480-47-6

>  <URL> (377)
http://www.selleckchem.com/products/igs-1-76.html

$$$$

csChFnd80/06282413142D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   10.9117    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5241    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2117    6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  6 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 20 23  1  0  0  0  0
  4 17  1  0  0  0  0
M  END
>  <Mol_ID> (378)
8445

>  <Formula> (378)
C17H24ClN3O2

>  <MolWeight> (378)
337.84436

>  <Cat> (378)
E0943

>  <Name> (378)
NBD-556

>  <Target> (378)
HIV Protease

>  <Form> (378)
free base

>  <CAS> (378)
333353-44-9

>  <URL> (378)
http://www.selleckchem.com/products/nbd-556.html

$$$$

csChFnd80/06282413142D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6992    2.0999    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
M  END
>  <Mol_ID> (379)
8447

>  <Formula> (379)
C15H12N2O3

>  <MolWeight> (379)
268.26738

>  <Cat> (379)
E0945

>  <Name> (379)
BIA

>  <Synonyms> (379)
TMBIM6 antagonist BIA

>  <Target> (379)
Akt,Calcium Channel

>  <Form> (379)
free base

>  <CAS> (379)
134271-74-2

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

$$$$

csChFnd80/06282413142D

 33 37  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
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  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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  8  9  1  0  0  0  0
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 10  4  1  0  0  0  0
  8 11  2  0  0  0  0
  6 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 18  2  0  0  0  0
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 22 16  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (380)
8461

>  <Formula> (380)
C24H21N5O4

>  <MolWeight> (380)
443.45464

>  <Cat> (380)
E1059

>  <Name> (380)
UNC6934

>  <Target> (380)
NSD

>  <Form> (380)
free base

>  <CAS> (380)
2561494-77-5

>  <URL> (380)
http://www.selleckchem.com/products/unc6934.html

$$$$

csChFnd80/06282413142D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  1  6  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
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  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (381)
8469

>  <Formula> (381)
C7H10N2

>  <MolWeight> (381)
122.1677

>  <Cat> (381)
E1087

>  <Name> (381)
5-amino-2,4-dimethylpyridine?(5A-DMP)

>  <Synonyms> (381)
N/A

>  <Target> (381)
E3 Ligase 

>  <Form> (381)
free base

>  <CAS> (381)
1193-71-1

>  <URL> (381)
http://www.selleckchem.com/products/5-amino-2-4-dimethylpyridine-5a-dmp.html

$$$$

csChFnd80/06282413142D

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2411853-34-2

>  <URL> (382)
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8486

>  <Formula> (383)
C27H29NO4

>  <MolWeight> (383)
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>  <Cat> (383)
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>  <Target> (383)
DNA/RNA Synthesis

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free base

>  <CAS> (383)
330834-54-3

>  <URL> (383)
http://www.selleckchem.com/products/agx51.html

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csChFnd80/06282413142D

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8495

>  <Formula> (384)
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>  <MolWeight> (384)
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>  <Cat> (384)
E1190

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>  <Target> (384)
p21

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free base

>  <CAS> (384)
1394011-91-6

>  <URL> (384)
http://www.selleckchem.com/products/uc2288.html

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8512

>  <Formula> (385)
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>  <MolWeight> (385)
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>  <Cat> (385)
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JNK

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>  <CAS> (385)
40045-50-9

>  <URL> (385)
http://www.selleckchem.com/products/su3327.html

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csChFnd80/06282413142D

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>  <CAS> (386)
1228280-29-2

>  <URL> (386)
http://www.selleckchem.com/products/ky-05009.html

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    5.8489    6.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8346    0.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9499    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6122    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.3503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1183    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4832    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3884    8.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0235    8.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839    6.5725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941    5.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
  1 12  1  0  0  0  0
  6 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  1  2  0  0  0  0
 13  2  2  0  0  0  0
  8 17  2  0  0  0  0
 18 19  1  0  0  0  0
  5 18  1  6  0  0  0
 20 21  1  0  0  0  0
  9 20  1  0  0  0  0
 22 23  1  0  0  0  0
 14 22  1  0  0  0  0
 24 25  1  0  0  0  0
 15 24  1  0  0  0  0
 26 27  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <Mol_ID> (387)
8551

>  <Formula> (387)
C21H25NO5

>  <MolWeight> (387)
371.4269

>  <Cat> (387)
E2631

>  <Name> (387)
Colcemid

>  <Synonyms> (387)
Demecolcine

>  <Target> (387)
Apoptosis related

>  <Form> (387)
free base

>  <CAS> (387)
477-30-5

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

$$$$

csChFnd80/06282413142D

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.1054    8.7410    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.2123    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    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
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6060    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    5.3327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0385    6.6641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0487    7.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4080    6.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4208    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8496    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1256   10.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7533    8.3787    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 O   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
    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  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
 14 18  1  1  0  0  0
 13 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  9 23  1  0  0  0  0
 23 24  1  0  0  0  0
  4 24  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  1  0  0  0
 17 26  2  0  0  0  0
 17 27  1  0  0  0  0
  8 28  1  1  0  0  0
  2 29  1  6  0  0  0
  6 30  1  1  0  0  0
M  END
>  <Mol_ID> (388)
8571

>  <Formula> (388)
C24H39NaO4

>  <MolWeight> (388)
414.55383

>  <Cat> (388)
E2683

>  <Name> (388)
Ursodeoxycholic acid sodium

>  <Target> (388)
Others

>  <Form> (388)
Sodium salt

>  <CAS> (388)
2898-95-5

>  <URL> (388)
http://www.selleckchem.com/products/ursodeoxycholic-acid-sodium.html

$$$$

csChFnd80/06282413142D

 22 21  0  0  0  0  0  0  0  0999 V2000
   14.5491    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  3  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
    4.8498    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7248    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1864    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  2  0  0  0  0
  1 14  1  0  0  0  0
 11 15  1  0  0  0  0
  7 16  1  0  0  0  0
  3 17  1  0  0  0  0
 18 19  1  0  0  0  0
 11 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (389)
8573

>  <Formula> (389)
C19H34O3

>  <MolWeight> (389)
310.47146

>  <Cat> (389)
E2686

>  <Name> (389)
Methoprene

>  <Target> (389)
Others

>  <Form> (389)
free base

>  <CAS> (389)
40596-69-8

>  <URL> (389)
http://www.selleckchem.com/products/methoprene.html

$$$$

csChFnd80/06282413142D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1001    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  1  0  0  0  0
  1  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
  6  8  1  0  0  0  0
  3 15  1  0  0  0  0
  2 16  1  0  0  0  0
M  END
>  <Mol_ID> (390)
8589

>  <Formula> (390)
C11H8Cl2N2O

>  <MolWeight> (390)
255.10002

>  <Cat> (390)
E2832

>  <Name> (390)
LCS-1

>  <Target> (390)
SOD

>  <Form> (390)
free base

>  <CAS> (390)
41931-13-9

>  <URL> (390)
http://www.selleckchem.com/products/lcs-1.html

$$$$
>  <Mol_ID> (391)
8615

>  <Cat> (391)
P1165

>  <Name> (391)
Pep2m, myristoylated (TFA)

>  <Target> (391)
GluR

>  <Form> (391)
free base

>  <URL> (391)
http://www.selleckchem.com/products/pep2m--myristoylated--tfa-.html

$$$$

csChFnd80/06282413142D

177177  0  0  0  0  0  0  0  0999 V2000
   38.7975    6.9999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.5851    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.0099    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7975    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3727    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2224    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.0099    4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5851    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1603    6.2999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   36.3727    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4348    6.2999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.5851   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9478    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1603    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6472    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4348    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   43.6472    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   35.1603   13.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3106    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5230    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7354    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.2845    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0720    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8596    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0981    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3106    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7354    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.4969    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.2845    4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.2845    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8596    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8857    6.2999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0981    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3106   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9478    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   29.0981   11.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5230   11.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.9217    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (392)
8621

>  <Formula> (392)
C105H188N42O30

>  <MolWeight> (392)
2518.87962

>  <Cat> (392)
P1220

>  <Name> (392)
tat-nr2b9c

>  <Synonyms> (392)
Nerinetide, NA-1

>  <Target> (392)
Others

>  <Form> (392)
free base

>  <CAS> (392)
500992-11-0

>  <URL> (392)
http://www.selleckchem.com/products/tat-nr2b9c.html

$$$$
>  <Mol_ID> (393)
8647

>  <Cat> (393)
E0524

>  <Name> (393)
Spinosad

>  <Target> (393)
AChR,Anti-infection

>  <Form> (393)
free base

>  <CAS> (393)
168316-95-8

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

$$$$

csChFnd80/06282413142D

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 23 40  1  0  0  0  0
M  END
>  <Mol_ID> (394)
8655

>  <Formula> (394)
C28H27F3N8S

>  <MolWeight> (394)
564.6277896

>  <Cat> (394)
S7817

>  <Name> (394)
MI-503

>  <Synonyms> (394)
N/A

>  <Target> (394)
Histone Methyltransferase,MLL

>  <Form> (394)
free base

>  <CAS> (394)
1857417-13-0

>  <URL> (394)
http://www.selleckchem.com/products/mi-503.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (395)
8674

>  <Formula> (395)
C47H74O19

>  <MolWeight> (395)
943.07906

>  <Cat> (395)
E0680

>  <Name> (395)
Deslanoside

>  <Synonyms> (395)
Desacetyllanatoside C

>  <Target> (395)
ATPase

>  <Form> (395)
free base

>  <CAS> (395)
17598-65-1

>  <URL> (395)
http://www.selleckchem.com/products/deslanoside.html

$$$$

csChFnd80/06282413142D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (396)
8676

>  <Formula> (396)
C25H28O6

>  <MolWeight> (396)
424.48622

>  <Cat> (396)
E2644

>  <Name> (396)
Tetramethylcurcumin

>  <Synonyms> (396)
FLLL31

>  <Target> (396)
STAT

>  <Form> (396)
free base

>  <CAS> (396)
52328-97-9

>  <URL> (396)
http://www.selleckchem.com/products/tetramethylcurcumin.html

$$$$

csChFnd80/06282413142D

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 26 28  2  0  0  0  0
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (397)
8708

>  <Formula> (397)
C30H30Cl2N4O4

>  <MolWeight> (397)
581.4896

>  <Cat> (397)
S8059

>  <Name> (397)
Nutlin-3a

>  <Synonyms> (397)
(-)-Nutlin-3

>  <Target> (397)
Apoptosis related,Autophagy,MDM2/MDMX,p53

>  <Form> (397)
Free base

>  <CAS> (397)
675576-98-4

>  <URL> (397)
http://www.selleckchem.com/products/nutlin-3a.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (398)
8719

>  <Formula> (398)
C32H32F3N3O2

>  <MolWeight> (398)
547.6105896

>  <Cat> (398)
S8431

>  <Name> (398)
SPD304

>  <Target> (398)
TNF-alpha

>  <Form> (398)
Free base

>  <CAS> (398)
869998-49-2

>  <URL> (398)
http://www.selleckchem.com/products/spd304.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (399)
8789

>  <Formula> (399)
C17H14FN3O2

>  <MolWeight> (399)
311.3103632

>  <Cat> (399)
S3376

>  <Name> (399)
RBPJ Inhibitor-1 (RIN1)

>  <Synonyms> (399)
N/A

>  <Target> (399)
Notch

>  <Form> (399)
Free base

>  <CAS> (399)
2682114-39-0

>  <URL> (399)
http://www.selleckchem.com/products/rin1.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (400)
8824

>  <Formula> (400)
C26H31N7O

>  <MolWeight> (400)
457.57064

>  <Cat> (400)
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>  <Name> (400)
C25-140

>  <Synonyms> (400)
N/A

>  <Target> (400)
NF-¦ÊB,Others

>  <Form> (400)
Free base

>  <CAS> (400)
1358099-18-9

>  <URL> (400)
http://www.selleckchem.com/products/c25-140.html

$$$$

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>  <Mol_ID> (401)
8852

>  <Formula> (401)
C30H42FN5O3

>  <MolWeight> (401)
539.6845832

>  <Cat> (401)
S8681

>  <Name> (401)
Tolinapant (ASTX660)

>  <Synonyms> (401)
N/A

>  <Target> (401)
IAP

>  <Form> (401)
Free base

>  <CAS> (401)
1799328-86-1

>  <URL> (401)
http://www.selleckchem.com/products/astx660.html

$$$$

csChFnd80/06282413142D

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>  <Mol_ID> (402)
8882

>  <Formula> (402)
C32H47FN6O4S

>  <MolWeight> (402)
630.8167832

>  <Cat> (402)
S8934

>  <Name> (402)
VTP50469

>  <Synonyms> (402)
N/A

>  <Target> (402)
Histone Methyltransferase,MLL

>  <Form> (402)
Free base

>  <CAS> (402)
2169916-18-9

>  <URL> (402)
http://www.selleckchem.com/products/vtp50469.html

$$$$

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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (403)
8892

>  <Formula> (403)
C33H35N6O7P

>  <MolWeight> (403)
658.640761

>  <Cat> (403)
S8968

>  <Name> (403)
PRI-724

>  <Synonyms> (403)
C-82 prodrug, ICG-001 analog

>  <Target> (403)
Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (403)
Free base

>  <CAS> (403)
1422253-38-0

>  <URL> (403)
http://www.selleckchem.com/products/pri-724.html

$$$$

csChFnd80/06282413142D

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>  <Mol_ID> (404)
8947

>  <Formula> (404)
C22H27N3O4S

>  <MolWeight> (404)
429.53248

>  <Cat> (404)
E0488

>  <Name> (404)
BC-LI-0186

>  <Target> (404)
DNA/RNA Synthesis

>  <Form> (404)
Free base

>  <CAS> (404)
695207-56-8

>  <URL> (404)
http://www.selleckchem.com/products/bc-li-0186.html

$$$$

csChFnd80/06282413142D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (405)
8984

>  <Formula> (405)
C13H10ClN3O

>  <MolWeight> (405)
259.691

>  <Cat> (405)
E1245

>  <Name> (405)
Ro5-3335

>  <Target> (405)
Others

>  <Form> (405)
Free base

>  <CAS> (405)
30195-30-3

>  <URL> (405)
http://www.selleckchem.com/products/ro5-3335.html

$$$$

csChFnd80/06282413142D

141147  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (406)
9040

>  <Formula> (406)
C93H144ClN23O21S2

>  <MolWeight> (406)
2019.86296

>  <Cat> (406)
S8164

>  <Name> (406)
YAP-TEAD Inhibitor 1 (Peptide 17)

>  <Synonyms> (406)
N/A

>  <Target> (406)
TEAD,YAP

>  <Form> (406)
Free base

>  <CAS> (406)
1659305-78-8

>  <URL> (406)
http://www.selleckchem.com/products/yap-tead-inhibitor-1-peptide-17.html

$$$$

csChFnd80/06282413142D

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M  END
>  <Mol_ID> (407)
9046

>  <Formula> (407)
C237H370N66O69S

>  <MolWeight> (407)
5279.9395

>  <Cat> (407)
S8554

>  <Name> (407)
Super-TDU

>  <Synonyms> (407)
N/A

>  <Target> (407)
TEAD,YAP

>  <Form> (407)
Free base

>  <CAS> (407)
1599441-71-0

>  <URL> (407)
http://www.selleckchem.com/products/super-tdu.html

$$$$
