Untitled Document
  ChemDraw02182016242D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.7584   -0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3459   -1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5209   -1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084   -0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5209   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3459   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084   -2.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2834   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709   -2.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0459   -2.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6334   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0459   -1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709   -1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6334   -0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1916   -0.7851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718   -0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5614    0.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9334    2.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7584    2.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199    2.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  3  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
 11 12  2  0      
 12 13  1  0      
 13  8  2  0      
 12 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  2  0      
 18 19  1  0      
 19 20  2  0      
 20 21  1  0      
 21 16  2  0      
 19 22  1  0      
 22 23  1  0      
 23 24  1  0      
 24 25  1  0      
 24 26  2  0      
V    1 3
V    2 2
V    3 1
V    4 6
V    5 5
V    6 4
V    8 3
V    9 4
V   10 5
V   11 6
V   12 1
V   13 2
V   16 4
V   17 3
V   18 2
V   19 1
V   20 6
V   21 5
V   22 3
V   23 2
V   24 1
M  END
>  <Catalog Number> (1)
A1709

>  <Item Name> (1)
GW9508

>  <Formula> (1)
C22H21NO3

>  <MolWeight> (1)
347.41

>  <CAS Number> (1)
885101-89-3

>  <Target> (1)
GPCR/G protein

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A1709

$$$$

Untitled Document
  ChemDraw06111414102D
 16 17  0  0  0  0  0  0  0  0999 V2000
    2.1436   -0.4271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505   -1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4401   -1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7228   -1.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7159   -0.4390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4194    0.8033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009    0.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9071    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470   -0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1219    0.1338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9049   -1.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1505    1.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  6  7  2  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12  8  1  0      
  8  5  1  1      
 11 13  1  6      
 12 14  1  6      
 10 15  1  1      
 15 16  1  0      
M  END
>  <Catalog Number> (1)
A1915

>  <Item Name> (1)
Zebularine

>  <Formula> (1)
C9H12N2O5

>  <MolWeight> (1)
228.2

>  <CAS Number> (1)
3690-10-6

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A1915

$$$$

Untitled Document
  ChemDraw06111414202D
 44 47  0  0  0  0  0  0  0  0999 V2000
   -1.4289    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.8563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  6  7  1  1      
  1  8  1  6      
  5  9  1  6      
  4 10  1  0      
 10 11  1  0      
  2 12  1  6      
 13 12  1  6      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 13  1  0      
 14 19  1  1      
 18 20  1  1      
 15 21  1  6      
 16 22  1  6      
 23 22  1  6      
 23 24  1  0      
 24 25  1  0      
 25 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 23  1  0      
 28 29  1  1      
 29 30  1  0      
 24 31  1  1      
 25 32  1  6      
 26 33  1  6      
 33 34  1  1      
 34 35  1  0      
 35 36  1  0      
 36 37  1  0      
 37 38  1  0      
 38 39  1  0      
 39 34  1  0      
 39 40  1  6      
 38 41  1  1      
 37 42  1  0      
 35 43  1  6      
 43 44  1  0      
M  END
>  <Catalog Number> (1)
A2431

>  <Item Name> (1)
Acarbose

>  <Formula> (1)
C25H43NO18

>  <MolWeight> (1)
645.6

>  <CAS Number> (1)
56180-94-0

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A2431

$$$$

Untitled Document
  ChemDraw08041709182D
 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.0101    2.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1180    3.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4637    3.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7014    3.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5935    2.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    2.3603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8803    3.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6426    4.1247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8312    2.5472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233    1.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0390    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1469    0.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9092    0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171   -0.5376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7794   -0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338   -0.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3259    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5636    0.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1961   -0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994   -0.2349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269   -0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2114   -1.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3889   -1.4683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6426   -2.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8873   -1.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3408   -2.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1031   -3.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575   -2.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6496   -1.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2110   -4.1247    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4706   -1.8579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  2  0      
  5  6  1  0      
  1  6  2  0      
  7  8  3  0      
  2  7  1  0      
 10 11  1  0      
 13 14  1  0      
 14 15  2  0      
 15 16  1  0      
 16 17  2  0      
 17 18  1  0      
 13 18  2  0      
 19 20  2  0      
 20 21  1  0      
 21 22  2  0      
 22 23  1  0      
 19 23  1  0      
 22 24  1  0      
 16 19  1  0      
 25 26  1  0      
 26 27  2  0      
 27 28  1  0      
 28 29  2  0      
 29 30  1  0      
 25 30  2  0      
 28 31  1  0      
 26 32  1  0      
 15 25  1  0      
 12 13  1  0      
 11 12  1  0      
  9 10  1  0      
  5  9  1  0      
M  END
>  <Catalog Number> (1)
A3011

>  <Item Name> (1)
CHIR-99021 (CT99021)

>  <Formula> (1)
C22H18Cl2N8

>  <MolWeight> (1)
465.34

>  <CAS Number> (1)
252917-06-9

>  <Target> (1)
PI3K/Akt/mTOR Signaling

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3011

$$$$

Untitled Document
  ChemDraw03192009062D
 34 36  0  0  0  0  0  0  0  0999 V2000
    2.2849    0.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560    0.6176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1415    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5730    0.6176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5730   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2874   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0019   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0019    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2874    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1415    1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560    2.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560    3.0926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704    1.8551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849    2.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9994   -3.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5669   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9590   -1.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7422   -2.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -3.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5254   -3.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929   -2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850   -1.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097   -1.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849   -1.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9994   -1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9994   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164    1.0301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560   -1.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1415   -2.2699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
  5 10  1  0      
  4 11  2  0      
 11 12  1  0      
 12 13  2  0      
  2 14  1  0      
 12 14  1  0      
 14 15  1  0      
 16 17  2  0      
 17 18  1  0      
 17 19  1  0      
 19 20  2  0      
 20 21  1  0      
 21 22  2  0      
 22 23  1  0      
 23 24  2  0      
 19 24  1  0      
  3 25  1  0      
 25 26  1  0      
 26 27  2  0      
 27 28  1  0      
 28 29  2  0      
 29 30  1  0      
 30 31  2  0      
 31 26  1  0      
  9 32  1  1      
 27 33  1  0      
 33 34  3  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  35
M  SMT   1 ^CN
M  SBV   1  35    0.7145    0.4125
M  END
>  <Catalog Number> (1)
A3156

>  <Item Name> (1)
Alogliptin Benzoate

>  <Formula> (1)
C25H27N5O4

>  <MolWeight> (1)
461.51

>  <CAS Number> (1)
850649-62-6

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3156

$$$$

Untitled Document
  ChemDraw06111414372D
 40 44  0  0  0  0  0  0  0  0999 V2000
   -2.1341   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8397   -0.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8221   -1.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0990   -2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3935   -1.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110   -0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704   -2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352   -1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7231   -0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0176    0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231    0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462   -0.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341    0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4110    0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8397    0.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8221    1.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276   -2.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4962   -2.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6713   -2.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628   -0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859   -0.0914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -2.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352    1.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8572    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962    2.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713    2.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -0.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5628    0.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2859    0.0914    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
    0.7407   -1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6879    1.2524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286    0.0305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  5  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10  6  1  0      
  9 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 10  2  0      
 11 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 12  1  0      
 17 19  1  0      
 19 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 18  1  0      
  3 23  2  0      
  4 24  1  0      
  4 25  1  0      
  2 26  1  0      
 26 27  3  0      
  6 28  1  1      
  5 29  1  6      
 13 30  2  0      
 17 31  1  1      
 21 32  1  0      
 21 33  1  0      
 31 34  2  0      
 31 35  1  0      
 35 36  1  0      
  9 37  1  1      
 11 38  1  6      
 12 39  1  1      
 18 40  1  1      
M  END
>  <Catalog Number> (1)
A3221

>  <Item Name> (1)
Bardoxolone methyl

>  <Formula> (1)
C32H43NO4

>  <MolWeight> (1)
505.69

>  <CAS Number> (1)
218600-53-4

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3221

$$$$

Untitled Document
  ChemDraw07031409512D
 23 26  0  0  0  0  0  0  0  0999 V2000
    0.5173   -1.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729   -0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -0.4361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    0.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6813    0.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6012   -1.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6829    0.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829   -1.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   -0.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2911   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7907   -0.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5173    0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907   -0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5645    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5645   -1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1513   -1.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331    0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2331   -1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2927    1.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311    1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681    1.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  1      
  1 18  1  0      
 12  2  1  1      
  2 20  1  0      
  3 14  1  0      
  3 19  1  0      
 11  4  1  6      
 15  5  1  1      
  6 18  2  0      
  7 19  2  0      
  8 20  2  0      
  9 10  1  0      
  9 11  1  6      
  9 14  1  0      
  9 15  1  1      
 10 12  1  0      
 10 17  1  1      
 10 18  1  6      
 11 13  1  0      
 11 16  1  1      
 12 13  1  0      
 15 19  1  0      
 16 21  1  0      
 16 22  1  0      
 16 23  1  0      
 17 20  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
M  END
>  <Catalog Number> (1)
A3241

>  <Item Name> (1)
Bilobalide

>  <Formula> (1)
C15H18O8

>  <MolWeight> (1)
326.3

>  <CAS Number> (1)
33570-04-6

>  <Target> (1)
Neuroscience

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3241

$$$$

Untitled Document
  ChemDraw10151416202D
 27 28  0  0  0  0  0  0  0  0999 V2000
   -1.6499    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8874    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8874    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8874    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499    3.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -3.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8874   -2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  6  2  0      
  1 22  1  0      
  2  3  2  0      
  2 24  1  0      
  3  4  1  0      
  4  5  2  0      
  5  6  1  0      
  5  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9 10  1  0      
  9 11  2  0      
 10 12  2  0      
 12 13  1  0      
 12 14  1  0      
 13 15  2  0      
 15 16  1  0      
 16 17  1  0      
 16 21  2  0      
 17 18  2  0      
 18 19  1  0      
 19 20  2  0      
 19 25  1  0      
 20 21  1  0      
 20 26  1  0      
 22 23  1  0      
 26 27  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
M  END
>  <Catalog Number> (1)
A3335

>  <Item Name> (1)
Curcumin

>  <Formula> (1)
C21H20O6

>  <MolWeight> (1)
368.38

>  <CAS Number> (1)
458-37-7

>  <Target> (1)
Immunology/Inflammation

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3335

$$$$

Untitled Document
  ChemDraw02272010412D
 36 41  0  0  0  0  0  0  0  0999 V2000
    2.3227    1.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1477    1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3270    3.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5623    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519    3.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9081    0.9877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1477    0.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102   -0.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133   -0.6560    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702   -1.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8404   -1.7755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595   -1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -1.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557   -1.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0874    2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2311    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020    1.8106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0280    2.8390    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4773    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581    1.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716    0.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685    0.4955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5519    1.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3488    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5623    0.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9789   -0.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1820   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -1.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0732   -1.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0732   -2.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -3.1298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557   -2.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  3  2  0      
  2  4  2  0      
  5  3  1  0      
  4  6  1  0      
  6  5  2  0      
  1  7  1  0      
  7  8  1  0      
  8  9  2  0      
  8 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14 10  2  0      
 14 15  1  0      
 12 16  1  0      
  2 17  1  0      
 17 18  1  0      
 18 19  2  0      
 19 20  1  0      
 20 21  1  0      
 21 17  2  0      
 19 22  1  0      
 22 23  1  0      
 23 24  2  0      
 24 20  1  0      
 24 25  1  0      
 25 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 31  1  0      
 31 26  1  0      
 16 32  2  0      
 32 33  1  0      
 33 34  2  0      
 34 35  1  0      
 35 36  2  0      
 36 16  1  0      
V    1 20
V    2 21
V    3 22
V    4 23
V    5 24
V    6 25
M  END
>  <Catalog Number> (1)
A3821

>  <Item Name> (1)
SRT2104 (GSK2245840)

>  <Formula> (1)
C26H24N6O2S2

>  <MolWeight> (1)
516.64

>  <CAS Number> (1)
1093403-33-8

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3821

$$$$

Untitled Document
  ChemDraw02202015122D
 65 68  0  0  0  0  0  0  0  0999 V2000
   -0.9183    3.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6818    3.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2325    2.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0196    2.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560    1.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    2.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785    3.5855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378    3.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1135    4.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    4.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    5.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6301    2.9088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1889    2.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5722    1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965    1.4475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377    2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4545    2.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889    0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3230    0.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9132   -0.4258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6439   -0.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5051    0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079   -0.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316    0.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482   -0.9496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5053   -0.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0169    0.3880    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594    1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7651    0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026   -1.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4662   -1.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0169   -1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8039   -2.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0403   -2.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4896   -2.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2629   -0.8695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465   -0.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0807   -0.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6709    0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015   -0.0562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5798    0.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -1.5462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5954   -2.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2122   -2.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878   -3.0075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9467   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299   -1.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -3.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614   -4.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712   -4.8808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1405   -4.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2792   -3.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235   -4.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -4.4277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639   -5.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209   -4.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325   -4.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -3.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -3.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3185    0.2566    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348    0.2566    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2490    0.2359    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473   -0.2591    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1635   -0.2797    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  1  7  1  0      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
 10 11  2  0      
 11  7  1  0      
 10 12  1  0      
  8 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 13  1  0      
 19 16  1  1      
 19 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 23  1  0      
 23 19  1  0      
 22 24  1  1      
 24 25  1  0      
 24 26  2  0      
 25 27  1  0      
 27 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 25  1  0      
 31 32  2  0      
 32 33  1  0      
 33 34  2  0      
 34 35  1  0      
 35 36  2  0      
 36 31  1  0      
 31 37  1  0      
 37 38  1  0      
 38 39  2  0      
 39 40  1  0      
 40 41  2  0      
 41 37  1  0      
 40 42  1  0      
 38 43  1  0      
 43 44  1  0      
 44 45  1  0      
 45 46  1  0      
 46 47  1  0      
 47 48  1  0      
 48 43  1  0      
 49 46  1  1      
 49 50  1  0      
 50 51  1  0      
 51 52  1  0      
 52 53  1  0      
 53 49  1  0      
 52 54  1  1      
 54 55  1  0      
 54 56  2  0      
 55 57  1  0      
 57 58  1  0      
 58 59  1  0      
 59 60  1  0      
 60 55  1  0      
M  END
>  <Catalog Number> (1)
A3865

>  <Item Name> (1)
Teneligliptin hydrobromide

>  <Formula> (1)
C44H65Br5N12O2S2

>  <MolWeight> (1)
1257.72

>  <CAS Number> (1)
906093-29-6

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3865

$$$$

Untitled Document
  ChemDraw06111414582D
 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.0744    2.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129    1.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504    1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005    2.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6132    3.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4757    3.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    2.5432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2119    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493    2.4359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0372    0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501   -0.4657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5873   -2.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248   -2.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2749   -1.4186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -1.4830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8623   -0.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4124   -1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8251   -2.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6876   -2.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752   -3.4961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -3.3887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377    0.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124   -1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  4  7  1  0      
  1  8  1  0      
  8  9  3  0      
  2 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 11  1  0      
 12 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 17  1  0      
 21 23  1  6      
 14 24  2  0      
 16 25  2  0      
 15 26  1  0      
M  END
>  <Catalog Number> (1)
A3888

>  <Item Name> (1)
Trelagliptin

>  <Formula> (1)
C18H20FN5O2

>  <MolWeight> (1)
357.38

>  <CAS Number> (1)
865759-25-7

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3888

$$$$

Untitled Document
  ChemDraw07041410212D
 31 34  0  0  0  0  0  0  0  0999 V2000
    2.6185    0.7463    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652   -0.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    0.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1847   -0.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    1.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847    1.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    1.4926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128   -0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6701    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226   -0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6701   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4079   -0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274   -0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226   -1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274   -1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6799   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6799    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6701   -1.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6799   -1.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3494    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3591    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8640    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1164    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   -0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111    1.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7235    1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27  1  1  0      
  1 31  1  0      
  2  8  1  0      
  2 12  1  0      
  3 13  1  0      
  3 22  1  0      
  4 18  1  0      
  5 30  2  0      
  6 31  2  0      
  7 30  1  0      
 31  7  1  0      
  8  9  1  0      
  8 13  1  0      
  8 14  1  1      
  9 10  1  0      
 10 11  1  0      
 11 12  2  0      
 11 15  1  0      
 12 16  1  0      
 15 18  2  0      
 15 19  1  0      
 16 17  2  0      
 16 20  1  0      
 17 18  1  0      
 17 21  1  0      
 22 24  1  0      
 22 25  2  0      
 23 26  1  0      
 28 23  1  0      
 23 29  2  0      
 24 28  2  0      
 29 25  1  0      
 27 26  1  1      
 27 30  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
M  END
>  <Catalog Number> (1)
A3893

>  <Item Name> (1)
Troglitazone

>  <Formula> (1)
C24H27NO5S

>  <MolWeight> (1)
441.54

>  <CAS Number> (1)
97322-87-7

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A3893

$$$$

Untitled Document
  ChemDraw07041410562D
 34 36  0  0  0  0  0  0  0  0999 V2000
   -0.6503   -2.3304    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -2.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2855   -2.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2836   -2.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924    2.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904    1.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0171   -1.6952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608    1.3369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256    0.2367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3177   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8507   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509   -1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509   -0.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2175   -1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2175   -0.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0511   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505   -1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309    1.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3217    1.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9549    2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151   -1.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    2.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2533    2.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2553   -1.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256    0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151   -1.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201   -2.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0511    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201   -0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2553   -1.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9827    2.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0      
  1  4  2  0      
  1  8  1  0      
  1 22  1  0      
  2 18  2  0      
  5 23  2  0      
  6 27  2  0      
 12  7  1  6      
  7 18  1  0      
  8 18  1  0      
  9 19  1  0      
  9 23  1  0      
  9 27  1  0      
 10 27  1  0      
 10 28  1  0      
 11 13  1  0      
 11 14  1  0      
 11 17  1  1      
 15 12  1  0      
 12 16  1  0      
 13 15  1  0      
 16 14  1  0      
 19 20  1  0      
 20 21  2  0      
 20 31  1  0      
 21 23  1  0      
 21 24  1  0      
 22 29  1  0      
 22 30  2  0      
 24 34  1  0      
 25 26  1  0      
 25 28  1  0      
 32 26  1  0      
 26 33  2  0      
 29 32  2  0      
 33 30  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
M  END
>  <Catalog Number> (1)
A4033

>  <Item Name> (1)
Glimepiride

>  <Formula> (1)
C24H34N4O5S

>  <MolWeight> (1)
490.62

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

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4033

$$$$

Untitled Document
  ChemDraw06111415152D
 35 39  0  0  0  0  0  0  0  0999 V2000
    0.8147    1.6988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085    0.3494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203   -1.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5645    0.0573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -3.2773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525   -1.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4996   -0.4056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439    1.0222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0498    2.5006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    1.0723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0078   -2.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953   -2.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310   -2.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0436   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6187   -0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648    0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248   -0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1941    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3807    0.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8839    0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    1.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9335   -1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9706    0.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591    1.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8744    2.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178    1.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3084    1.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    0.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    3.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1330    1.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517    0.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5236   -0.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897    3.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    2.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0      
  2 21  2  0      
  3 12  1  0      
  3 15  1  0      
  3 16  1  0      
  4 16  1  0      
  4 17  1  0      
  4 19  1  0      
 11  5  1  1      
  6 16  2  0      
  6 18  1  0      
  7 18  1  0      
  7 21  1  0      
  7 23  1  0      
  8 20  1  0      
  8 21  1  0      
  8 22  1  0      
  9 25  2  0      
  9 26  1  0      
 10 25  1  0      
 10 27  2  0      
 11 12  1  0      
 11 13  1  0      
 13 14  1  0      
 14 15  1  0      
 17 18  2  0      
 17 20  1  0      
 19 24  1  0      
 22 25  1  0      
 24 29  3  0      
 26 28  1  0      
 26 30  2  0      
 27 28  1  0      
 27 32  1  0      
 28 31  2  0      
 29 33  1  0      
 30 34  1  0      
 31 35  1  0      
 34 35  2  0      
M  END
>  <Catalog Number> (1)
A4034

>  <Item Name> (1)
Linagliptin (BI-1356)

>  <Formula> (1)
C25H28N8O2

>  <MolWeight> (1)
472.5

>  <CAS Number> (1)
668270-12-0

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4034

$$$$

Untitled Document
  ChemDraw02202016502D
 35 34  0  0  0  0  0  0  0  0999 V2000
   -3.2323    0.6863    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8538    3.6954    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5015    3.5400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647    1.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691   -0.2184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958   -1.5226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2269   -0.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288   -1.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4622    1.7259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610   -0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744   -1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2578    0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7682    0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7312   -2.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8887    1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7168    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1974    2.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3693    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0237    2.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6782   -2.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -2.8191    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252   -3.6954    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5015   -2.9251    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4078    2.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    2.2159    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    1.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    3.0409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    1.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001    2.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3251    2.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0      
  2 22  1  0      
  3 24  1  0      
  4 16  2  0      
  5 10  1  0      
  5 12  1  0      
  5 16  1  0      
  6 11  1  0      
  6 13  1  0      
  6 17  1  0      
  7  8  1  0      
  7 13  2  0      
  8 17  2  0      
 15  9  1  1      
 10 11  1  0      
 12 13  1  0      
 14 15  1  0      
 14 16  1  0      
 15 18  1  0      
 18 19  1  0      
 19 20  1  0      
 19 21  2  0      
 20 23  2  0      
 21 22  1  0      
 22 24  2  0      
 23 24  1  0      
 17 25  1  0      
 25 26  1  0      
 25 27  1  0      
 25 28  1  0      
 30 31  2  0      
 30 32  2  0      
 30 33  1  0      
 33 34  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  25  26  27  28
M  SBL   1  1  27
M  SMT   1 CF3
M  SBV   1  27    0.0530    0.8232
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  6  30  31  32  33  34  35
M  SMT   2 H\s3\nPO\s4
M  END
>  <Catalog Number> (1)
A4036

>  <Item Name> (1)
Sitagliptin phosphate monohydrate

>  <Formula> (1)
C16H15F6N5O.H3PO4.H2O

>  <MolWeight> (1)
523.3

>  <CAS Number> (1)
654671-77-9

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4036

$$$$

Untitled Document
  ChemDraw02202017012D
 22 25  0  0  0  0  0  0  0  0999 V2000
    2.0005    1.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5278    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7413    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4673   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0268   -0.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632   -0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870    1.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685    0.1466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1148   -0.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9117   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951   -0.8066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253    0.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2920   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7413   -1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221   -1.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519   -1.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5055    0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190    1.0007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  1  4  1  0      
  4  5  1  0      
  5  6  1  0      
  3  7  1  0      
  1  8  1  0      
  3  9  1  0      
  5  9  1  0      
  8 10  1  0      
  6 10  1  0      
  7 10  1  0      
  1 11  1  0      
  5 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 15  1  0      
 14 16  2  0      
 15 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 20 15  1  0      
 17 21  1  1      
 21 22  3  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1 ^CN
M  SBV   1  24    0.2135   -0.7969
M  END
>  <Catalog Number> (1)
A4037

>  <Item Name> (1)
Vildagliptin (LAF-237)

>  <Formula> (1)
C17H25N3O2

>  <MolWeight> (1)
303.4

>  <CAS Number> (1)
274901-16-5

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4037

$$$$

Untitled Document
  ChemDraw02281418552D
 25 27  0  0  0  0  0  0  0  0999 V2000
    2.1160    0.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    2.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404    0.1719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878    0.2176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8959    0.5158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3624    1.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0659   -2.6913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1687    0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4677    0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423   -0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4150   -1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141   -0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0395    0.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659    1.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141   -0.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3887    0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677   -1.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950   -2.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696   -0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959   -1.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668   -2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0      
  2 17  2  0      
  3  9  1  0      
  3 12  1  0      
  3 13  1  0      
  4 13  1  0      
  4 15  1  0      
  4 16  1  0      
  8  5  1  1      
  6 16  1  0      
  6 17  1  0      
  6 19  1  0      
  7 25  3  0      
  8  9  1  0      
  8 10  1  0      
 10 11  1  0      
 11 12  1  0      
 13 14  2  0      
 14 17  1  0      
 15 18  1  0      
 18 20  1  0      
 18 21  2  0      
 20 22  2  0      
 20 25  1  0      
 21 23  1  0      
 22 24  1  0      
 23 24  2  0      
M  END
>  <Catalog Number> (1)
A4038

>  <Item Name> (1)
Alogliptin (SYR-322)

>  <Formula> (1)
C18H21N5O2

>  <MolWeight> (1)
339.39

>  <CAS Number> (1)
850649-61-5

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4038

$$$$

Untitled Document
  ChemDraw03202011102D
 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.8216   -2.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5361   -2.5383    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1236   -1.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2505   -2.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9486   -3.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9752    0.1978    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2608    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2608    1.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5463    1.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318    1.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0472    1.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    2.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2351    3.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556    3.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6373    2.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4161    2.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623    1.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2627    1.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752    1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5002    1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127    1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377    1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5002    0.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752    0.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0472    0.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5463    0.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    0.3084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    0.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  2  4  1  0      
  2  5  1  0      
  6  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 15  1  0      
  9 15  1  0      
 15 16  2  0      
 11 17  2  0      
 17 18  1  0      
 18 19  2  0      
 19 20  1  0      
 20 21  2  0      
 21 22  1  0      
 21 23  1  0      
 23 24  2  0      
 18 24  1  0      
 17 25  1  0      
 25 26  1  0      
 10 26  1  0      
 26 27  2  0      
  7 27  1  0      
 22 28  1  0      
 28 29  1  0      
M  END
>  <Catalog Number> (1)
A4156

>  <Item Name> (1)
Rucaparib (AG-014699,PF-01367338)

>  <Formula> (1)
C19H18FN3O.H3PO4

>  <MolWeight> (1)
421.36

>  <CAS Number> (1)
459868-92-9

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4156

$$$$

Untitled Document
  ChemDraw03202011272D
 35 39  0  0  0  0  0  0  0  0999 V2000
   -1.0717    2.3650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.7150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.9525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    3.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681   -0.9267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882   -0.1420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8332   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681    0.6426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8332    0.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0486   -1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771   -1.9886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924   -2.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0791   -3.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340   -3.6025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186   -3.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4902   -2.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9856   -0.8151    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9 10  2  0      
  1 10  1  0      
  5 10  1  0      
 11 12  2  0      
 11 13  1  0      
  2 11  1  0      
 14 15  1  0      
 15 16  2  0      
 16 17  1  0      
 17 18  2  0      
 18 19  1  0      
 14 19  2  0      
 20 21  1  0      
 21 22  1  0      
 22 23  1  0      
 23 24  2  0      
 20 24  1  0      
 25 26  1  0      
 26 27  2  0      
 21 25  2  0      
 22 27  1  0      
 29 30  1  0      
 30 31  1  0      
 31 32  1  0      
 32 33  1  0      
 33 34  1  0      
 29 34  1  0      
 28 29  1  0      
 23 28  1  0      
 15 26  1  0      
 13 14  1  0      
M  END
>  <Catalog Number> (1)
A4180

>  <Item Name> (1)
SRT1720 HCl

>  <Formula> (1)
C25H23N7OS.HCl

>  <MolWeight> (1)
506.02

>  <CAS Number> (1)
1001645-58-4

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4180

$$$$

Untitled Document
  ChemDraw11151811082D
 17 18  0  0  0  0  0  0  0  0999 V2000
    3.2413    0.6868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8808   -1.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2413    1.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648    0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846    0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327   -0.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385    0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8582   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874    1.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7677    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610   -0.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8129    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932    0.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5158    1.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0      
  2 10  1  0      
  3 16  1  0      
  4  6  1  0      
  4  7  1  0      
  4  8  2  0      
  5 11  1  0      
  5 12  2  0      
  7 10  2  0      
  9  8  1  0      
 13  9  2  0      
 10 13  1  0      
 11 14  2  0      
 15 12  1  0      
 14 16  1  0      
 16 15  2  0      
  6 17  2  0      
  5 17  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 7
V    8 8
V    9 9
V   10 10
V   11 11
V   12 12
V   13 13
V   14 14
V   15 15
V   16 16
M  END
>  <Catalog Number> (1)
A4182

>  <Item Name> (1)
Resveratrol

>  <Formula> (1)
C14H12O3

>  <MolWeight> (1)
228.24

>  <CAS Number> (1)
501-36-0

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4182

$$$$

Untitled Document
  ChemDraw06111415312D
 33 34  0  0  0  0  0  0  0  0999 V2000
    2.6135    1.4603    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496   -0.7259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616    3.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0652    1.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3997    2.5391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131   -1.4374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4152   -2.8663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1295    2.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3045    2.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8910    1.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6154    2.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881   -1.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0639   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1746   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3475    0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889   -0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3985    1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267   -2.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8246   -0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0652   -2.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8287   -3.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6537   -3.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012   -0.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4023   -2.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2201   -1.5721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204   -2.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831   -0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834   -1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -2.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015   -0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0      
  1 19  1  0      
  2 15  1  0      
  2 16  1  0      
  3 11  2  0      
  4 19  2  0      
  5 11  1  0      
  5 19  1  0      
  6 14  1  0      
  6 20  1  0      
  6 21  1  0      
  7 20  1  0      
  7 24  2  0      
  8  9  1  0      
  8 11  1  0      
  9 10  1  0      
 10 12  2  0      
 10 13  1  0      
 12 17  1  0      
 13 18  2  0      
 14 16  1  0      
 15 17  2  0      
 15 18  1  0      
 20 22  2  0      
 22 23  1  0      
 23 25  2  0      
 24 25  1  0      
 26 33  1  0      
 27 32  1  0      
 28 33  2  0      
 29 32  2  0      
 30 31  2  0      
 30 33  1  0      
 31 32  1  0      
M  END
>  <Catalog Number> (1)
A4302

>  <Item Name> (1)
Rosiglitazone maleate

>  <Formula> (1)
C18H19N3O3S.C4H4O4

>  <MolWeight> (1)
473.5

>  <CAS Number> (1)
155141-29-0

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4302

$$$$

Untitled Document
  ChemDraw02222009302D
 25 26  0  0  0  0  0  0  0  0999 V2000
    3.5311    3.6243    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313   -0.9842    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2638   -1.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7263   -0.3242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325    1.9681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7925   -2.2984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287   -0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8912   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2112   -2.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3099   -1.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8912    1.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525   -2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513    2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4525    2.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699    2.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    3.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712    3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8711   -2.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3662   -2.3044    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5311   -3.4594    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3761   -3.6243    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0      
  2  3  2  0      
  2  4  2  0      
  2  8  1  0      
  2 10  1  0      
  5 14  2  0      
  6  9  1  0      
  6 14  1  0      
  7 10  2  0      
  7 15  1  0      
  8  9  1  0      
 10 11  1  0      
 11 13  2  0      
 12 13  1  0      
 12 15  2  0      
 14 16  1  0      
 16 17  2  0      
 16 18  1  0      
 17 19  1  0      
 18 20  2  0      
 19 21  2  0      
 20 21  1  0      
 12 22  1  0      
 22 23  1  0      
 22 24  1  0      
 22 25  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  22  23  24  25
M  SBL   1  1  23
M  SMT   1 CF3
M  SBV   1  23    0.6599    0.4950
M  END
>  <Catalog Number> (1)
A4303

>  <Item Name> (1)
GSK3787

>  <Formula> (1)
C15H12ClF3N2O3S

>  <MolWeight> (1)
392.78

>  <CAS Number> (1)
188591-46-0

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4303

$$$$

Untitled Document
  ChemDraw06111415312D
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.5523   -1.5455    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519    0.7184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2444   -3.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0096   -1.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3959    1.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3096   -2.6447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6151    2.2294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0508   -2.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -2.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8316   -1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189   -2.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5712    1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2618   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1767    0.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426   -0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8673   -0.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3303   -1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904    2.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8261    0.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    2.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0096    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794    3.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0      
  1 19  1  0      
  2 15  1  0      
  2 16  1  0      
  3 11  2  0      
  4 19  2  0      
  5 12  1  0      
  5 20  1  0      
  5 21  1  0      
  6 11  1  0      
  6 19  1  0      
  7 20  1  0      
  7 24  2  0      
  8  9  1  0      
  8 11  1  0      
  9 10  1  0      
 10 13  2  0      
 10 14  1  0      
 12 15  1  0      
 13 17  1  0      
 14 18  2  0      
 16 17  2  0      
 16 18  1  0      
 20 22  2  0      
 22 23  1  0      
 23 25  2  0      
 24 25  1  0      
M  END
>  <Catalog Number> (1)
A4304

>  <Item Name> (1)
Rosiglitazone

>  <Formula> (1)
C18H19N3O3S

>  <MolWeight> (1)
357.43

>  <CAS Number> (1)
122320-73-4

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4304

$$$$

Untitled Document
  ChemDraw06111415322D
 31 33  0  0  0  0  0  0  0  0999 V2000
    1.0453   -1.1383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9221   -0.1354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9930   -1.9460    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774    2.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2579    3.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9550    4.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829   -2.2973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2376   -0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1012   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718   -1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1351   -1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513   -2.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2609    0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177    2.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640   -1.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -3.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7789    1.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839   -3.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385    2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9919   -1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803   -2.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712   -3.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4206    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357    2.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0982    2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4370    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0001   -3.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7423   -2.8142    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183   -3.8538    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2579   -4.3779    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0      
  1 11  1  0      
  2  9  1  0      
  2 13  1  0      
  3 21  1  0      
  4 19  1  0      
  4 26  1  0      
  5 27  1  0      
  6 27  2  0      
  7 10  1  0      
  7 11  2  0      
  8  9  1  0      
  8 10  2  0      
 10 20  1  0      
 11 12  1  0      
 12 15  2  0      
 12 16  1  0      
 13 17  2  0      
 13 23  1  0      
 14 17  1  0      
 14 19  2  0      
 14 25  1  0      
 15 21  1  0      
 16 22  2  0      
 18 21  2  0      
 18 22  1  0      
 19 24  1  0      
 23 24  2  0      
 26 27  1  0      
 18 28  1  0      
 28 29  1  0      
 28 30  1  0      
 28 31  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  28  29  30  31
M  SBL   1  1  30
M  SMT   1 CF3
M  SBV   1  30   -0.7163    0.4094
M  END
>  <Catalog Number> (1)
A4307

>  <Item Name> (1)
GW0742

>  <Formula> (1)
C21H17F4NO3S2

>  <MolWeight> (1)
471.49

>  <CAS Number> (1)
317318-84-6

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4307

$$$$

Untitled Document
  ChemDraw08221414552D
 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2746    0.2669    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5539   -1.5854    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475    3.2123    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    3.8130    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726    3.7354    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0183   -3.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9475   -2.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044   -3.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3722   -0.2218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970   -0.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5539   -0.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754   -0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030    1.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0891   -1.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -3.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0891   -2.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665    1.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414    1.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753   -2.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070    2.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -1.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1685    2.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3435    1.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753   -1.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -3.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2090    3.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6614   -2.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044   -3.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0      
  1 13  1  0      
  2 11  1  0      
  2 15  1  0      
  3 28  1  0      
  4 28  1  0      
  5 28  1  0      
  6 20  1  0      
  6 29  1  0      
  7 30  1  0      
  8 30  2  0      
 12  9  1  0      
 13  9  2  0      
 10 11  1  0      
 12 10  2  0      
 12 22  1  0      
 13 14  1  0      
 14 18  1  0      
 14 19  2  0      
 15 17  1  0      
 15 23  2  0      
 17 16  2  0      
 16 20  1  0      
 16 27  1  0      
 18 24  2  0      
 25 19  1  0      
 20 26  2  0      
 24 21  1  0      
 21 25  2  0      
 21 28  1  0      
 26 23  1  0      
 29 30  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
M  END
>  <Catalog Number> (1)
A4309

>  <Item Name> (1)
GW501516

>  <Formula> (1)
C21H18F3NO3S2

>  <MolWeight> (1)
453.5

>  <CAS Number> (1)
317318-70-0

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4309

$$$$

Untitled Document
  ChemDraw11241613242D
 26 27  0  0  0  0  0  0  0  0999 V2000
    2.3183    0.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8248    1.4626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0055    1.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396    0.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282   -0.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975   -1.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1168   -1.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -1.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846   -0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4425   -2.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2618   -2.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8218   -2.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607   -1.2028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710   -2.3573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4742   -3.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0800   -3.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650   -3.3376    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505    2.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570    2.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827    3.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8020    3.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956    3.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9698    2.3175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0800    3.4037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  2  0      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
 10 11  2  0      
  6 11  1  0      
  9 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 15  2  0      
 14 16  1  0      
 16 17  1  0      
 17 18  2  0      
 17 19  1  0      
 13 19  1  0      
  2 20  1  0      
 20 21  2  0      
 21 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24 25  2  0      
 20 25  1  0      
M  END
>  <Catalog Number> (1)
A4310

>  <Item Name> (1)
Rosiglitazone HCl

>  <Formula> (1)
C18H20ClN3O3S

>  <MolWeight> (1)
393.89

>  <CAS Number> (1)
302543-62-0

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4310

$$$$

Untitled Document
  ChemDraw06251411142D
 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.9131   -2.9471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1351   -0.8348    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -0.4789    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7442    0.5783    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    1.2806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5253   -0.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9143   -1.5382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7436   -2.5965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2642    2.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598    2.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131    1.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9143    0.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3058    0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052   -0.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149   -0.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052   -0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9149   -0.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -1.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235   -2.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -1.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -2.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0      
  2 24  1  0      
  3 22  1  0      
  4 22  1  0      
  5 13  1  0      
  5 14  1  0      
  6 15  1  0      
  6 22  1  0      
  7 20  2  0      
  8 20  1  0      
  8 21  1  0      
 25  9  2  0      
  9 26  1  0      
 10 11  1  0      
 10 12  1  0      
 10 13  1  0      
 11 12  1  0      
 14 15  1  0      
 14 16  2  0      
 15 18  2  0      
 17 16  1  0      
 19 17  2  0      
 17 20  1  0      
 18 19  1  0      
 21 23  2  0      
 24 21  1  0      
 23 25  1  0      
 24 26  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
M  END
>  <Catalog Number> (1)
A4319

>  <Item Name> (1)
Roflumilast

>  <Formula> (1)
C17H14Cl2F2N2O3

>  <MolWeight> (1)
403.21

>  <CAS Number> (1)
162401-32-3

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4319

$$$$

Untitled Document
  ChemDraw02222009452D
 28 29  0  0  0  0  0  0  0  0999 V2000
   -1.7804    0.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700   -0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866    0.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5773    0.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7908    1.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2074    2.1374    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5820    2.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3968    2.7434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5259    1.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3228    1.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3685    3.6693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9802    3.3268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -0.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0228   -0.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478   -0.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603   -1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478   -2.2404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603   -2.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853   -2.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -2.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853   -1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -3.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228   -3.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3630   -2.8946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380   -2.8946    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  1  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12  8  1  0      
 12 13  2  0      
 10 14  2  0      
 11 15  1  0      
  4 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  2  0      
 20 21  1  0      
 21 22  2  0      
 22 23  1  0      
 23 24  2  0      
 24 19  1  0      
 22 25  1  0      
 25 26  1  0      
 27 28  1  0      
M  END
>  <Catalog Number> (1)
A4324

>  <Item Name> (1)
Pioglitazone HCl

>  <Formula> (1)
C19H20N2O3S.HCl

>  <MolWeight> (1)
392.9

>  <CAS Number> (1)
112529-15-4

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4324

$$$$

Untitled Document
  ChemDraw08221414502D
 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.7950    3.1716    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3159    0.5372    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    1.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577   -1.9836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159   -2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3371   -3.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938   -0.1214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8229   -1.4747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.5324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2537   -2.6565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194   -2.0413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100   -2.7360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6543    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5135    0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6543   -0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5135   -0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2428   -0.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950    1.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009   -1.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1752    2.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1752    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0956   -1.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9357    2.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9357    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3159    1.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0632   -1.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5721   -2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0      
  2 26  1  0      
  3 13  1  0      
  3 20  1  0      
  4  8  1  0      
 21  4  1  0      
  5 29  1  0      
  6 29  2  0      
  7 16  1  0      
  7 17  1  0      
  7 18  1  0      
  8 18  2  0      
  9 11  1  0      
 24  9  2  0      
 10 12  2  0      
 10 24  1  0      
 11 12  1  0      
 11 28  1  0      
 14 13  1  0      
 13 15  1  0      
 16 14  1  0      
 15 17  1  0      
 18 19  1  0      
 21 19  2  0      
 20 22  1  0      
 20 23  2  0      
 21 24  1  0      
 22 25  2  0      
 26 23  1  0      
 25 27  1  0      
 27 26  2  0      
 28 29  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
M  END
>  <Catalog Number> (1)
A4345

>  <Item Name> (1)
MK-8245

>  <Formula> (1)
C17H16BrFN6O4

>  <MolWeight> (1)
467.25

>  <CAS Number> (1)
1030612-90-8

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4345

$$$$

Untitled Document
  ChemDraw06111413452D
 29 32  0  0  0  0  0  0  0  0999 V2000
    3.3392   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207   -2.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6593   -2.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8376   -3.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0222   -2.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2037   -2.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053   -1.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0254   -0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269   -0.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2916   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7900    0.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4699    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486    1.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471    0.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7315    3.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9319    3.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5923    2.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683    1.7335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7769    1.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4091    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3889    2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8174    2.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    3.3543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335    1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8376    2.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9801    0.7701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537    0.8801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  3  2  0      
  1  4  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
  5 10  1  0      
 11 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14 15  2  0      
 15 16  1  0      
 11 16  2  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 23  1  0      
 17 23  1  0      
 24 25  1  0      
 26 27  1  0      
 24 27  2  0      
 22 26  2  0      
 23 25  2  0      
 21 28  2  0      
 26 29  1  0      
 14 20  1  0      
  8 11  1  1      
  5  2  1  6      
M  END
>  <Catalog Number> (1)
A4384

>  <Item Name> (1)
PF-04620110

>  <Formula> (1)
C21H24N4O4

>  <MolWeight> (1)
396.44

>  <CAS Number> (1)
1109276-89-2

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4384

$$$$

Untitled Document
  ChemDraw06111413572D
 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.0876    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121    1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8868    0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619    0.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6623    1.4061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880    2.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4122    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    2.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4127    0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383   -0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8636   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885   -1.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0881   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6628    0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9129   -0.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3121    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138   -2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377   -2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4640   -2.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8888   -2.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  1  7  2  0      
  6  8  1  0      
  8  9  1  0      
  8 10  2  0      
  9 11  2  0      
 11 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14 15  2  0      
 15 16  1  0      
 16 17  2  0      
 17 12  1  0      
 16 18  1  0      
 18 19  1  0      
 15 20  1  0      
 20 21  1  0      
 14 22  1  0      
 22 23  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  19
M  SMT   1 OMe
M  SBV   1  19   -0.8249   -0.0148
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  21
M  SMT   2 OMe
M  SBV   2  21   -0.4253    0.7069
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  23
M  SMT   3 ^OMe
M  SBV   3  23    0.3996    0.7218
M  END
>  <Catalog Number> (1)
A4455

>  <Item Name> (1)
Piperlongumine

>  <Formula> (1)
C17H19NO5

>  <MolWeight> (1)
317.34

>  <CAS Number> (1)
20069-09-4

>  <Target> (1)
Apoptosis

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4455

$$$$

Untitled Document
  ChemDraw06111413572D
 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.0717    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  1  7  1  1      
  6  8  1  6      
  4  9  1  6      
  5 10  1  1      
  3 11  1  1      
 11 12  1  0      
  8 13  1  0      
 13 14  2  0      
 13 15  1  0      
 15 16  1  0      
 15 17  1  0      
 17 18  2  0      
M  END
>  <Catalog Number> (1)
A4457

>  <Item Name> (1)
Streptozocin

>  <Formula> (1)
C8H15N3O7

>  <MolWeight> (1)
265.22

>  <CAS Number> (1)
18883-66-4

>  <Target> (1)
Apoptosis

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4457

$$$$

Untitled Document
  ChemDraw09111421522D
 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.8078   -0.4309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7668   -1.6619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7714   -4.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410   -3.3144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987   -3.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9110   -2.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8325    4.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2412    2.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698   -3.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546   -2.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835   -2.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0531   -2.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820   -2.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1958   -1.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3364   -0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3788   -0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2427    2.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3803    0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0911   -1.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110    3.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926   -0.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5761    3.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6575    4.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955    0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5259    1.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092    0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0970    1.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5244    0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122    2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0      
  2 12  1  0      
  2 13  1  0      
  9  3  1  6      
 10  4  1  1      
 11  5  1  1      
  6 15  1  0      
  7 24  1  0      
  7 25  1  0      
 19  8  1  1      
  8 27  1  0      
  9 10  1  0      
  9 11  1  0      
 10 12  1  0      
 11 13  1  0      
 12 14  1  6      
 13 15  1  6      
 14 16  1  0      
 14 17  2  0      
 16 18  2  0      
 21 17  1  0      
 18 20  1  0      
 18 23  1  0      
 19 22  1  0      
 19 24  1  0      
 20 26  1  0      
 23 21  2  0      
 22 25  1  0      
 26 28  1  0      
 26 29  2  0      
 30 27  1  0      
 27 31  2  0      
 28 30  2  0      
 31 29  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
M  END
>  <Catalog Number> (1)
A4601

>  <Item Name> (1)
Empagliflozin (BI 10773)

>  <Formula> (1)
C23H27ClO7

>  <MolWeight> (1)
450.91

>  <CAS Number> (1)
864070-44-0

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A4601

$$$$

Untitled Document
  ChemDraw02222014462D
 33 35  0  0  0  0  0  0  0  0999 V2000
    0.3572    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    4.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -3.0937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -4.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  4  7  1  0      
  7  8  1  0      
  9 10  1  0      
 10  5  1  0      
  9 11  1  0      
  7 12  2  0      
  1 13  1  0      
 13 14  1  0      
 14 15  2  0      
 14 16  1  0      
 17 18  1  0      
 18 19  2  0      
 20 21  1  0      
 21 22  1  0      
 22 17  1  0      
 17 16  1  1      
 21 23  1  0      
 18 24  1  0      
 24 25  2  0      
 25 26  1  0      
 26 27  2  0      
 27 19  1  0      
 24 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 31  1  0      
 31 32  1  0      
 32 33  1  0      
 33 28  1  0      
M  END
>  <Catalog Number> (1)
A5316

>  <Item Name> (1)
Repaglinide

>  <Formula> (1)
C27H36N2O4

>  <MolWeight> (1)
452.59

>  <CAS Number> (1)
135062-02-1

>  <Target> (1)
Membrane Transporter/Ion Channel

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A5316

$$$$

Untitled Document
  ChemDraw02251413002D
 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.6585    1.7109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6342    0.5703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6342   -1.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171   -0.9505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512   -0.9505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6098    0.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2927    1.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6342   -0.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756   -0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2927   -0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2927    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171    0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512    0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585    1.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3171    0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3171    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756    1.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342    0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9512    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6098    1.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0      
  2 11  1  0      
  2 12  1  0      
  8  3  1  6      
  9  4  1  1      
 10  5  1  1      
  6 14  1  0      
  7 26  1  0      
  7 27  1  0      
  8  9  1  0      
  8 10  1  0      
  9 11  1  0      
 10 12  1  0      
 11 13  1  6      
 12 14  1  6      
 13 15  1  0      
 13 16  2  0      
 15 17  2  0      
 18 16  1  0      
 17 19  1  0      
 17 20  1  0      
 20 18  2  0      
 19 21  1  0      
 21 22  1  0      
 21 23  2  0      
 22 24  2  0      
 25 23  1  0      
 24 26  1  0      
 26 25  2  0      
 27 28  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
M  END
>  <Catalog Number> (1)
A5854

>  <Item Name> (1)
Dapagliflozin

>  <Formula> (1)
C21H25ClO6

>  <MolWeight> (1)
408.87

>  <CAS Number> (1)
461432-26-8

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A5854

$$$$

Untitled Document
  ChemDraw02251417132D
 34 37  0  0  0  0  0  0  0  0999 V2000
    1.2197    0.6220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550    1.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981    3.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723   -3.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723   -0.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -2.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981    1.9702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981    0.6220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981   -0.7263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3371   -2.0745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305   -1.4004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3371   -0.7263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658    3.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8399    3.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658    1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874    1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550    0.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874   -0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658   -0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197   -0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1155   -2.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047   -1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047   -2.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831   -2.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831   -1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723   -2.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521   -1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305   -0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521   -0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8399   -2.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -3.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0      
 13  2  1  0      
  2 17  1  0      
  3 14  2  0      
  4 26  1  0      
  4 33  1  0      
  5 27  1  0      
  5 34  1  0      
  6 28  1  0      
  6 32  1  0      
  7 14  1  0      
  7 18  1  0      
  8 18  2  0      
 20  8  1  0      
  9 20  1  0      
  9 22  1  0      
 10 23  1  0      
 10 29  1  0      
 11 22  2  0      
 11 29  1  0      
 12 29  2  0      
 12 31  1  0      
 14 13  1  0      
 13 15  1  0      
 13 16  1  0      
 17 18  1  0      
 17 19  2  0      
 19 21  1  0      
 21 20  2  0      
 22 30  1  0      
 23 24  1  0      
 23 25  2  0      
 24 27  2  0      
 26 25  1  0      
 28 26  2  0      
 27 28  1  0      
 30 31  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
M  END
>  <Catalog Number> (1)
A5880

>  <Item Name> (1)
R406 (free base)

>  <Formula> (1)
C22H23FN6O5

>  <MolWeight> (1)
470.4

>  <CAS Number> (1)
841290-80-0

>  <Target> (1)
Tyrosine Kinase

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A5880

$$$$

Untitled Document
  ChemDraw03202010092D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 43 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.300701 -0.413246 0.000000 0
M  V30 2 C -4.300701 -1.238264 0.000000 0
M  V30 3 C -3.586236 -1.650773 0.000000 0
M  V30 4 C -2.871770 -1.238264 0.000000 0
M  V30 5 C -2.871770 -0.413246 0.000000 0
M  V30 6 C -3.586236 -0.000736 0.000000 0
M  V30 7 O -5.012751 -0.002151 0.000000 0
M  V30 8 C -5.724742 -0.413246 0.000000 0
M  V30 9 O -5.012751 -1.649359 0.000000 0
M  V30 10 C -5.724742 -1.238264 0.000000 0
M  V30 11 O -3.586236 -2.472903 0.000000 0
M  V30 12 C -4.298226 -2.883998 0.000000 0
M  V30 13 N -2.159721 -0.002151 0.000000 0
M  V30 14 C -1.447730 -0.413246 0.000000 0
M  V30 15 N -1.447730 -1.238264 0.000000 0
M  V30 16 C -0.733264 -1.650773 0.000000 0
M  V30 17 C -0.018740 -1.238264 0.000000 0
M  V30 18 C -0.018740 -0.413246 0.000000 0
M  V30 19 N -0.733264 -0.000736 0.000000 0
M  V30 20 F 0.693251 -1.649359 0.000000 0
M  V30 21 N 0.693251 -0.002151 0.000000 0
M  V30 22 C 1.405242 -0.413246 0.000000 0
M  V30 23 C 1.405242 -1.238264 0.000000 0
M  V30 24 C 2.119707 -1.650773 0.000000 0
M  V30 25 C 2.834232 -1.238264 0.000000 0
M  V30 26 C 2.834232 -0.413246 0.000000 0
M  V30 27 N 2.119707 -0.000736 0.000000 0
M  V30 28 O 3.548698 -1.650773 0.000000 0
M  V30 29 C 4.263222 -1.238264 0.000000 0
M  V30 30 C 4.263222 -0.413246 0.000000 0
M  V30 31 N 3.548698 -0.000736 0.000000 0
M  V30 32 O 4.975213 -0.002151 0.000000 0
M  V30 33 C 5.060072 -1.024702 0.000000 0
M  V30 34 C 4.675731 -1.952730 0.000000 0
M  V30 35 C 3.548698 0.821453 0.000000 0
M  V30 36 O 4.263222 1.233962 0.000000 0
M  V30 37 P 4.263222 2.058980 0.000000 0
M  V30 38 O 3.551172 2.470016 0.000000 0 CHG=-1
M  V30 39 O 4.975213 2.470016 0.000000 0 CHG=-1
M  V30 40 O 4.263222 2.883998 0.000000 0
M  V30 41 Na 5.724742 2.448565 0.000000 0 CHG=1
M  V30 42 Na 2.158247 2.491525 0.000000 0 CHG=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 8 1 7 8
M  V30 9 1 2 9
M  V30 10 1 9 10
M  V30 11 1 3 11
M  V30 12 1 11 12
M  V30 13 1 5 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 17 2 16 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 20 1 19 14
M  V30 21 1 17 20
M  V30 22 1 18 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 25 1 23 24
M  V30 26 2 24 25
M  V30 27 1 25 26
M  V30 28 2 26 27
M  V30 29 1 27 22
M  V30 30 1 25 28
M  V30 31 1 28 29
M  V30 32 1 29 30
M  V30 33 1 30 31
M  V30 34 1 31 26
M  V30 35 2 30 32
M  V30 36 1 29 33
M  V30 37 1 29 34
M  V30 38 1 31 35
M  V30 39 1 35 36
M  V30 40 1 36 37
M  V30 41 1 37 38
M  V30 42 1 37 39
M  V30 43 2 37 40
M  V30 END BOND
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
A8332

>  <Item Name> (1)
R788 disodium

>  <Formula> (1)
C23H24FN6Na2O9P

>  <MolWeight> (1)
624.42

>  <CAS Number> (1)
1025687-58-4

>  <Target> (1)
Tyrosine Kinase

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8332

$$$$

Untitled Document
  ChemDraw02081420162D
 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.3639   -0.8948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7226   -2.5329    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    1.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162   -0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9205   -0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7226    1.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7226    2.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162    1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9205    1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    1.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9205    2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130    0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130    1.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108    0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903    1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108    1.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3639    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1268   -0.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1268    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758   -1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5086   -0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6919   -1.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1575   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3409   -2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0737   -2.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22  1  1  0      
 24  1  1  0      
  2 31  1  0      
  3 10  1  0      
  3 12  1  0      
  8  4  1  1      
  9  5  1  6      
 11  6  1  1      
  7 14  1  0      
  8  9  1  0      
  8 10  1  0      
  9 11  1  0      
 10 13  1  6      
 11 12  1  0      
 12 14  1  6      
 13 15  1  0      
 13 16  2  0      
 15 17  2  0      
 19 16  1  0      
 17 18  1  0      
 17 20  1  0      
 18 19  2  0      
 18 21  1  0      
 20 22  1  0      
 22 23  2  0      
 23 25  1  0      
 25 24  2  0      
 24 26  1  0      
 26 27  1  0      
 26 28  2  0      
 27 29  2  0      
 30 28  1  0      
 29 31  1  0      
 31 30  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
M  END
>  <Catalog Number> (1)
A8333

>  <Item Name> (1)
Canagliflozin

>  <Formula> (1)
C24H25FO5S

>  <MolWeight> (1)
444.52

>  <CAS Number> (1)
842133-18-0

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8333

$$$$

Untitled Document
  ChemDraw02081417022D
 37 40  0  0  0  0  0  0  0  0999 V2000
    5.1991    2.9436    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724   -3.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9403   -2.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8968    1.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8638   -1.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4921   -2.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5829    3.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345    3.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9933   -2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2426   -2.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0735   -3.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5636   -2.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589   -3.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589   -1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0915   -3.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7077   -2.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0915   -1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2934   -2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3620   -1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5566   -1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2108   -1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3620    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5131   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0480    2.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    2.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946   -1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5131    0.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457    0.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8968    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457   -1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946   -2.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8968   -1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3620   -2.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638    2.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0      
  1  8  2  0      
  1 26  1  0      
  1 37  1  0      
  2 11  1  0      
  2 13  1  0      
  3 16  1  0      
  3 21  1  0      
  4 28  1  0      
  4 29  1  0      
  5 18  1  0      
  6 18  2  0      
  9 10  1  0      
  9 11  1  0      
  9 12  1  1      
 10 13  2  0      
 10 14  1  0      
 12 18  1  0      
 13 15  1  0      
 14 17  2  0      
 15 16  2  0      
 16 17  1  0      
 19 20  1  0      
 19 23  1  0      
 19 24  2  0      
 20 27  1  0      
 20 32  2  0      
 21 22  1  0      
 27 22  2  0      
 22 33  1  0      
 23 30  2  0      
 23 34  1  0      
 31 24  1  0      
 24 35  1  0      
 25 26  1  0      
 25 29  1  0      
 30 28  1  0      
 28 31  2  0      
 36 32  1  0      
 33 36  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
V   35 34
V   36 35
V   37 36
M  END
>  <Catalog Number> (1)
A8339

>  <Item Name> (1)
TAK-875

>  <Formula> (1)
C29H32O7S

>  <MolWeight> (1)
524.64

>  <CAS Number> (1)
1000413-72-8

>  <Target> (1)
GPCR/G protein

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8339

$$$$

Untitled Document
  ChemDraw03202009432D
 33 35  0  0  0  0  0  0  0  0999 V2000
    1.0647    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647   -0.3974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.8401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3528    0.8387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4953    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4953    1.6637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2098    2.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9243    1.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9243    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2098    0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6362    2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3467    2.4844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2919   -1.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0989   -1.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5114   -1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594   -0.4729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9202    0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347    1.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9202    2.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057    1.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3291   -1.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3467    2.0748    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4937    2.0748    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4182   -2.4844    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  5  7  1  0      
  4  8  1  0      
  1  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  2  0      
 14 15  1  0      
 15 16  2  0      
 16 17  1  0      
 17 18  2  0      
 18 13  1  0      
 16 19  1  0      
 19 20  3  0      
  8 21  1  0      
 21 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24  8  2  0      
  7 25  2  0      
 25 26  1  0      
 26 27  2  0      
 27 28  1  0      
 28 29  2  0      
 29  7  1  0      
 23 30  1  0      
 27 31  1  0      
 29 32  1  0      
M  END
>  <Catalog Number> (1)
A8396

>  <Item Name> (1)
CHIR-99021 (CT99021) HCl

>  <Formula> (1)
C22H18Cl2N8.HCl

>  <MolWeight> (1)
501.8

>  <CAS Number> (1)
1797989-42-4

>  <Target> (1)
PI3K/Akt/mTOR Signaling

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8396

$$$$

Untitled Document
  ChemDraw02242009542D
 31 33  0  0  0  0  0  0  0  0999 V2000
   -3.1194    3.5872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4049    3.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6905    3.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6905    4.4122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4049    4.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1194    4.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    3.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8339    4.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    2.3497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615    3.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615    1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615    1.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1674   -0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1674    1.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -0.5378    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3108   -0.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0089    0.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839   -1.2523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -1.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839   -2.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -1.9668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -3.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839   -4.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -4.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -4.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339   -4.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -3.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  3  7  1  0      
  6  8  1  0      
  7  9  1  0      
  7 10  2  0      
  9 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 15  2  0      
 15 16  1  0      
 16 17  2  0      
 17 18  1  0      
 18 13  2  0      
 16 19  1  0      
 19 20  2  0      
 19 21  2  0      
 19 22  1  0      
 22 23  1  0      
 23 24  1  0      
 23 25  2  0      
 24 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 31  1  0      
 31 26  1  0      
M  END
>  <Catalog Number> (1)
A8438

>  <Item Name> (1)
Glipizide

>  <Formula> (1)
C21H27N5O4S

>  <MolWeight> (1)
445.54

>  <CAS Number> (1)
29094-61-9

>  <Target> (1)
Membrane Transporter/Ion Channel

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8438

$$$$

Untitled Document
  ChemDraw07031410112D
 32 35  0  0  0  0  0  0  0  0999 V2000
    4.5705    1.9218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.5991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9899   -2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9306    1.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1942    2.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -1.3194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726   -1.3865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6944   -2.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434   -0.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671   -0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434   -1.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4196   -0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9146   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0546   -1.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279   -0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7709   -1.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -0.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0638   -1.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1942   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754   -0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    1.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    1.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    1.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    2.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0      
  1  5  2  0      
  1 29  1  0      
  1 32  1  0      
  2 15  1  0      
  2 18  1  0      
  8  3  1  0      
 16  3  1  0      
  6 13  1  0      
  6 14  1  0      
  6 16  1  0      
 16  7  2  0      
  7 17  1  0      
 17  8  2  0      
 21  9  2  0      
  9 25  1  0      
 11 10  1  0      
 10 12  1  0      
 10 15  1  0      
 13 11  1  0      
 12 14  1  0      
 17 19  1  0      
 20 18  2  0      
 18 21  1  0      
 19 22  1  0      
 19 23  1  0      
 24 20  1  0      
 24 25  2  0      
 25 26  1  0      
 26 27  1  0      
 26 28  2  0      
 27 30  2  0      
 31 28  1  0      
 30 29  1  0      
 29 31  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
M  END
>  <Catalog Number> (1)
A8439

>  <Item Name> (1)
GSK1292263

>  <Formula> (1)
C23H28N4O4S

>  <MolWeight> (1)
456.56

>  <CAS Number> (1)
1032823-75-8

>  <Target> (1)
GPCR/G protein

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8439

$$$$

Untitled Document
  ChemDraw03202009172D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 47 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.754882 -5.539043 0.000000 0
M  V30 2 O -3.946989 -5.371907 0.000000 0
M  V30 3 C -3.687787 -4.588683 0.000000 0
M  V30 4 C -2.879894 -4.421547 0.000000 0
M  V30 5 C -2.620692 -3.638324 0.000000 0
M  V30 6 N -1.812800 -3.471187 0.000000 0
M  V30 7 C -1.553597 -2.687964 0.000000 0
M  V30 8 N -0.745705 -2.520828 0.000000 0
M  V30 9 C -0.486503 -1.737604 0.000000 0
M  V30 10 N 0.321390 -1.570468 0.000000 0
M  V30 11 C 0.580592 -0.787244 0.000000 0
M  V30 12 N 1.388485 -0.620108 0.000000 0
M  V30 13 C 1.647687 0.163116 0.000000 0
M  V30 14 N 2.455579 0.330252 0.000000 0
M  V30 15 C 1.098996 0.779203 0.000000 0
M  V30 16 C 0.291104 0.612067 0.000000 0
M  V30 17 C 0.031902 -0.171157 0.000000 0
M  V30 18 O 1.358199 1.562427 0.000000 0
M  V30 19 C 2.166091 1.729563 0.000000 0
M  V30 20 C 1.998955 2.537456 0.000000 0
M  V30 21 C 2.782179 2.278253 0.000000 0
M  V30 22 C 2.714782 1.113475 0.000000 0
M  V30 23 O 3.522674 1.280612 0.000000 0
M  V30 24 C -1.035193 -1.121516 0.000000 0
M  V30 25 C -1.843086 -1.288653 0.000000 0
M  V30 26 N -2.102288 -2.071877 0.000000 0
M  V30 27 F -0.775991 -0.338293 0.000000 0
M  V30 28 C -3.169383 -3.022236 0.000000 0
M  V30 29 C -3.977275 -3.189372 0.000000 0
M  V30 30 O -4.525966 -2.573285 0.000000 0
M  V30 31 C -5.333859 -2.740421 0.000000 0
M  V30 32 C -4.236477 -3.972596 0.000000 0
M  V30 33 O -5.044370 -4.139732 0.000000 0
M  V30 34 C -5.303572 -4.922956 0.000000 0
M  V30 35 O 4.809837 5.539043 0.000000 0
M  V30 36 S 4.550635 4.755819 0.000000 0
M  V30 37 C 4.291433 3.972595 0.000000 0
M  V30 38 C 4.840123 3.356508 0.000000 0
M  V30 39 C 4.580921 2.573285 0.000000 0
M  V30 40 C 3.773028 2.406148 0.000000 0
M  V30 41 C 3.224338 3.022236 0.000000 0
M  V30 42 C 3.483540 3.805460 0.000000 0
M  V30 43 O 5.333859 4.496617 0.000000 0
M  V30 44 O 3.767411 5.015021 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 11 17
M  V30 18 1 15 18
M  V30 19 1 18 19
M  V30 20 1 19 20
M  V30 21 1 19 21
M  V30 22 1 19 22
M  V30 23 1 14 22
M  V30 24 2 22 23
M  V30 25 2 9 24
M  V30 26 1 24 25
M  V30 27 2 25 26
M  V30 28 1 7 26
M  V30 29 1 24 27
M  V30 30 2 5 28
M  V30 31 1 28 29
M  V30 32 1 29 30
M  V30 33 1 30 31
M  V30 34 2 29 32
M  V30 35 1 3 32
M  V30 36 1 32 33
M  V30 37 1 33 34
M  V30 38 1 35 36
M  V30 39 1 36 37
M  V30 40 2 37 38
M  V30 41 1 38 39
M  V30 42 2 39 40
M  V30 43 1 40 41
M  V30 44 2 41 42
M  V30 45 1 37 42
M  V30 46 2 36 43
M  V30 47 2 36 44
M  V30 END BOND
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
A8546

>  <Item Name> (1)
R406

>  <Formula> (1)
C22H23FN6O5.C6H6O3S

>  <MolWeight> (1)
628.63

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

>  <Target> (1)
Tyrosine Kinase

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8546

$$$$

Untitled Document
  ChemDraw03202009112D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.373598 3.113335 0.000000 0
M  V30 2 C 3.007486 2.374019 0.000000 0
M  V30 3 C 2.184164 2.321424 0.000000 0
M  V30 4 N 2.641374 1.634704 0.000000 0
M  V30 5 C 1.726954 3.008144 0.000000 0
M  V30 6 O 2.093067 3.747459 0.000000 0
M  V30 7 C 1.818052 1.582109 0.000000 0
M  V30 8 C 0.994731 1.529514 0.000000 0
M  V30 9 C 0.628619 0.790198 0.000000 0
M  V30 10 C 1.085828 0.103479 0.000000 0
M  V30 11 C 0.719716 -0.635837 0.000000 0
M  V30 12 C -0.103605 -0.688432 0.000000 0
M  V30 13 C -0.560815 -0.001712 0.000000 0
M  V30 14 C -0.194703 0.737603 0.000000 0
M  V30 15 C -0.469717 -1.427747 0.000000 0
M  V30 16 C -1.293039 -1.480343 0.000000 0
M  V30 17 C -1.659151 -2.219658 0.000000 0
M  V30 18 C -2.482473 -2.272254 0.000000 0
M  V30 19 C -2.848585 -3.011569 0.000000 0
M  V30 20 C -3.671906 -3.064164 0.000000 0
M  V30 21 C -4.038018 -3.803479 0.000000 0
M  V30 22 C -4.861340 -3.856075 0.000000 0
M  V30 23 H 4.174621 3.398865 0.000000 0
M  V30 24 Cl 4.861340 3.856075 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 3 5
M  V30 5 1 5 6
M  V30 6 1 3 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 9 14
M  V30 15 1 12 15
M  V30 16 1 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 19 1 18 19
M  V30 20 1 19 20
M  V30 21 1 20 21
M  V30 22 1 21 22
M  V30 23 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
A8548

>  <Item Name> (1)
Fingolimod (FTY720)

>  <Formula> (1)
C19H34ClNO2

>  <MolWeight> (1)
343.94

>  <CAS Number> (1)
162359-56-0

>  <Target> (1)
GPCR/G protein

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8548

$$$$

Untitled Document
  ChemDraw02192016542D
 23 27  0  0  1  0  0  0  0  0999 V2000
   -2.1550    2.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7036    1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3057    1.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3727    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747    1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2714    0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6438   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4026    1.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5506    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934   -0.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304   -0.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7817   -0.9742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027    0.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -1.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4884   -1.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -2.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8216   -1.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6057   -1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4026   -1.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079   -1.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041   -2.1771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0      
  2  6  1  6      
  2  7  1  0      
  2  8  1  0      
  2 12  1  0      
  3  6  1  6      
  3  9  1  0      
  3 10  1  0      
  4  7  1  0      
  4  9  1  0      
  4 11  1  6      
  5  8  1  0      
  5 10  1  0      
  5 11  1  1      
 12 13  1  0      
 13 14  1  0      
 13 15  2  0      
 12 16  1  1      
 14 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 20 14  1  0      
 20 21  1  1      
 19 21  1  1      
 17 22  1  1      
 22 23  3  0      
M  END
>  <Catalog Number> (1)
A8650

>  <Item Name> (1)
Saxagliptin

>  <Formula> (1)
C18H25N3O2

>  <MolWeight> (1)
315.41

>  <CAS Number> (1)
361442-04-8

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=A8650

$$$$

Untitled Document
  ChemDraw02202011032D
 38 41  0  0  0  0  0  0  0  0999 V2000
   -0.6910   -2.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189   -0.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963   -1.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4135   -1.2479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7071   -0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1252   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0155   -1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360   -0.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    1.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    1.2363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060    2.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7057    2.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450   -1.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -2.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450   -2.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1252   -2.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255    2.0752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346    2.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346    3.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255    3.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7057    3.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242   -2.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6323   -2.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401   -1.9153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840   -1.3059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8477   -3.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8477    3.7182    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5635    3.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450    4.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608    4.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346   -4.1330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5635   -4.1283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8477   -4.5432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6502   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0      
  5  2  1  0      
  5  3  1  0      
  6  2  1  0      
  7  5  1  0      
  8  6  1  0      
  9  6  2  0      
 10  3  2  0      
 10  4  1  0      
 10  9  1  0      
  2 11  2  0      
  8 12  2  0      
  8 13  1  0      
 13 14  1  0      
 14 15  1  0      
  7 16  2  0      
 16 17  1  0      
 17 18  2  0      
 18 19  1  0      
 19 20  2  0      
 20  7  1  0      
 15 21  2  0      
 21 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24 25  2  0      
 25 15  1  0      
  4 26  2  0      
 26 27  1  0      
 27 28  2  0      
 28 29  1  0      
 29  4  1  0      
 19 30  1  0      
 23 31  1  0      
 31 32  2  0      
 31 33  2  0      
 31 34  1  0      
 30 35  1  0      
 30 36  1  0      
 30 37  1  0      
 29 38  1  0      
M  END
>  <Catalog Number> (1)
B1037

>  <Item Name> (1)
Alvelestat

>  <Formula> (1)
C25H22F3N5O4S

>  <MolWeight> (1)
545.53

>  <CAS Number> (1)
848141-11-7

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1037

$$$$

Untitled Document
  ChemDraw02202015182D
 31 32  0  0  0  0  0  0  0  0999 V2000
   -2.1316   -0.0423    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7259   -0.0831    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0127   -1.6512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2807   -0.4241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0008   -0.8263    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1816   -2.3919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280   -0.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519   -0.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552   -1.6920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5839   -1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056   -0.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4349   -1.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8637   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029   -0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061   -1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2924   -1.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0066   -2.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4232   -0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264   -1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    0.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    0.6343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1548   -0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8693    0.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8693    1.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1548    1.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    1.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5838    1.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2982    1.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127    1.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2982    0.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5838    2.3919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0      
  2  7  2  0      
  2 11  1  0      
  3 16  1  0      
  4 16  1  0      
  5 16  1  0      
 10  6  1  1      
  8 13  2  0      
  9 12  1  0      
  9 13  1  0      
 10 13  1  0      
 10 16  1  0      
 10 17  1  6      
 11 14  1  0      
 11 15  2  0      
 18 12  1  0      
 12 19  2  0      
 14 18  2  0      
 19 15  1  0      
  2 20  1  0      
  2 21  2  0      
 20 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24 25  2  0      
 25 26  1  0      
 26 20  2  0      
 24 27  1  0      
 27 28  1  0      
 28 29  1  0      
 28 30  1  0      
 27 31  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 8
V    9 10
V   10 12
V   11 13
V   12 15
V   13 16
V   14 17
V   15 18
V   16 19
V   17 20
V   18 21
V   19 22
M  END
>  <Catalog Number> (1)
B1286

>  <Item Name> (1)
AZD7545

>  <Formula> (1)
C19H18ClF3N2O5S

>  <MolWeight> (1)
478.87

>  <CAS Number> (1)
252017-04-2

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1286

$$$$

Untitled Document
  ChemDraw07031416322D
 33 35  0  0  0  0  0  0  0  0999 V2000
   -3.3579   -2.7551    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6350    2.1847    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    2.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    2.5141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3057    2.7551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466   -1.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3579   -0.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    1.0439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643    1.6143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170   -0.1205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    1.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5989    1.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5989    0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230    1.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646    1.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762    1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466    0.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5058    2.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646    1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762    1.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5058    0.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466    0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7874   -1.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3579   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7874   -1.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9283   -1.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3579   -2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9283   -1.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7874    0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0      
  2  4  2  0      
  2  5  2  0      
  2  9  1  0      
  2 18  1  0      
  3 17  2  0      
  6 26  2  0      
  7 28  1  0      
  7 33  1  0      
  8 11  1  0      
  8 17  1  0      
  9 17  1  0      
 10 25  1  0      
 10 26  1  0      
 11 12  1  0      
 11 13  1  0      
 12 15  1  0      
 14 13  1  0      
 16 14  1  0      
 15 16  1  0      
 18 21  1  0      
 18 22  2  0      
 19 20  1  0      
 23 19  1  0      
 19 24  2  0      
 20 25  1  0      
 21 23  2  0      
 24 22  1  0      
 26 27  1  0      
 27 28  1  0      
 27 29  2  0      
 28 30  2  0      
 31 29  1  0      
 30 32  1  0      
 32 31  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
M  END
>  <Catalog Number> (1)
B1296

>  <Item Name> (1)
Glibenclamide

>  <Formula> (1)
C23H28ClN3O5S

>  <MolWeight> (1)
494

>  <CAS Number> (1)
10238-21-8

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1296

$$$$

Untitled Document
  ChemDraw03192010332D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 16 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 3.215119 -0.092813 0.000000 0
M  V30 2 C 2.500648 0.319688 0.000000 0
M  V30 3 N 1.786178 -0.092813 0.000000 0
M  V30 4 C 1.071707 0.319688 0.000000 0
M  V30 5 N 0.357235 -0.092813 0.000000 0
M  V30 6 C -0.357235 0.319688 0.000000 0
M  V30 7 C -1.071706 -0.092813 0.000000 0
M  V30 8 C -1.786177 0.319688 0.000000 0
M  V30 9 C -1.786177 1.144688 0.000000 0
M  V30 10 C -2.500648 1.557187 0.000000 0
M  V30 11 C -3.215119 1.144688 0.000000 0
M  V30 12 C -3.215119 0.319688 0.000000 0
M  V30 13 C -2.500648 -0.092813 0.000000 0
M  V30 14 N 1.071707 1.144688 0.000000 0
M  V30 15 N 2.500648 1.144688 0.000000 0
M  V30 16 Cl 0.245119 -1.557187 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 12 13
M  V30 13 2 8 13
M  V30 14 2 4 14
M  V30 15 2 2 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
B1373

>  <Item Name> (1)
Phenformin HCl

>  <Formula> (1)
C10H16ClN5

>  <MolWeight> (1)
241.72

>  <CAS Number> (1)
834-28-6

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1373

$$$$

Untitled Document
  ChemDraw02212016132D
 27 29  0  0  0  0  0  0  0  0999 V2000
    1.6714    2.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753   -1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3996   -1.0707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -0.3443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061   -0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0197   -1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6577    1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4271    1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8447   -1.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2383    0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077    1.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2503   -1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826    1.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0215    2.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4947   -1.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2503   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344   -3.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0094   -3.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859   -2.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3197   -1.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7339   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4964    2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    3.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7339    3.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0      
  2 14  2  0      
  3  6  1  0      
  7  3  1  0      
  6  4  2  0      
  4 14  1  0      
  5  6  1  0      
  5 12  1  0      
  5 13  2  0      
  7 11  1  0      
  8 10  1  0      
 12  8  2  0      
  8 15  1  0      
 10  9  2  0      
  9 13  1  0      
  9 16  1  0      
 14 11  1  0      
  2 17  1  0      
 17 18  2  0      
 18 19  1  0      
 19 11  2  0      
 19 20  1  0      
 20 21  1  0      
  7 22  2  0      
 17 23  1  0      
 23 24  1  0      
  1 25  1  0      
 25 26  1  0      
 26 27  1  0      
V    1 0
V    2 3
V    3 5
V    4 6
V    5 7
V    6 8
V    7 9
V    8 10
V    9 11
V   10 12
V   11 13
V   12 14
V   13 15
V   14 18
V   15 19
V   16 20
M  END
>  <Catalog Number> (1)
B1499

>  <Item Name> (1)
RVX-208

>  <Formula> (1)
C20H22N2O5

>  <MolWeight> (1)
370.4

>  <CAS Number> (1)
1044870-39-4

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1499

$$$$

Untitled Document
  ChemDraw02222009312D
 12 10  0  0  0  0  0  0  0  0999 V2000
   -1.6572    1.8790    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.9190    0.5679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285    1.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415   -1.0542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6572    1.7915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1967    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2479   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2638   -1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574   -1.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5097    0.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349    1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0      
  2 12  1  0      
  3 12  2  0      
  4  6  1  0      
  4  8  1  0      
  4  9  1  0      
  4 10  1  0      
  5 12  1  0      
  6  7  1  0      
  7 11  1  1      
M  CHG  2   1  -1   4   1
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
M  END
>  <Catalog Number> (1)
B1599

>  <Item Name> (1)
Bethanechol chloride

>  <Formula> (1)
C7H17N2O2.Cl

>  <MolWeight> (1)
196.68

>  <CAS Number> (1)
590-63-6

>  <Target> (1)
Neuroscience

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1599

$$$$

Untitled Document
  ChemDraw05161715402D
 39 42  0  0  0  0  0  0  0  0999 V2000
   -0.3646   -0.0793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7505   -0.8085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    0.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230   -1.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205   -0.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8841   -2.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0107   -2.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3646   -0.4651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0329    0.7980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.8508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718    2.4469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997    2.4997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2815    1.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5523    1.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0107    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9803    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121    2.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5218    0.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8536    1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938    0.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926   -0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1244    1.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633   -0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7315    1.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243   -1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7011    2.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509   -1.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1548   -2.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951   -1.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4561   -2.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802   -1.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3036   -1.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2731   -2.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    3.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400    3.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9145   -3.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  1  3  2  0      
  1  8  1  0      
  1 20  1  0      
  4 24  1  0      
  4 27  1  0      
  5 25  1  0      
  5 29  1  0      
  6 30  1  0      
  6 39  1  0      
  7 33  1  0      
  8 23  1  0      
 23  9  2  0      
 26  9  1  0      
 25 10  1  0      
 10 26  2  0      
 28 11  1  0      
 36 11  2  0      
 12 28  2  0      
 37 12  1  0      
 13 14  1  0      
 13 15  1  0      
 13 16  1  0      
 13 17  1  0      
 14 18  1  0      
 14 19  2  0      
 18 21  2  0      
 22 19  1  0      
 21 20  1  0      
 20 22  2  0      
 23 24  1  0      
 24 25  2  0      
 26 28  1  0      
 27 30  1  0      
 27 31  2  0      
 29 33  1  0      
 30 32  2  0      
 34 31  1  0      
 32 35  1  0      
 35 34  2  0      
 36 38  1  0      
 38 37  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
V   35 34
V   36 35
V   37 36
V   38 37
V   39 38
M  END
>  <Catalog Number> (1)
B1682

>  <Item Name> (1)
Bosentan

>  <Formula> (1)
C27H29N5O6S

>  <MolWeight> (1)
551.63

>  <CAS Number> (1)
147536-97-8

>  <Target> (1)
GPCR/G protein

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1682

$$$$

Untitled Document
  ChemDraw07021414302D
 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.8665   -1.7782    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2732    0.9816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748    1.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631    1.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    1.7782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5832    0.5832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7967    0.5832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4866    0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715    0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    0.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2732   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682    0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715   -1.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8665   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682   -1.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0      
  2  3  2  0      
  2  4  2  0      
  2  6  1  0      
  2  9  1  0      
  5 11  2  0      
  6 11  1  0      
  7  8  1  0      
  7 11  1  0      
  8 10  1  0      
  9 12  1  0      
  9 13  2  0      
 10 14  1  0      
 12 15  2  0      
 16 13  1  0      
 15 17  1  0      
 17 16  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
M  END
>  <Catalog Number> (1)
B1697

>  <Item Name> (1)
Chlorpropamide

>  <Formula> (1)
C10H13ClN2O3S

>  <MolWeight> (1)
276.74

>  <CAS Number> (1)
94-20-2

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1697

$$$$

Untitled Document
  ChemDraw07021415512D
 15 15  0  0  0  0  0  0  0  0999 V2000
    2.0324    1.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238    1.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0324   -0.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933   -1.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5638    0.2705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238    0.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848    0.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848   -0.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933   -0.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1848   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0      
  2 10  2  0      
  3 13  1  0      
  4 15  1  0      
  6  5  1  1      
  6  7  1  0      
  6  9  1  6      
  6 10  1  0      
  7  8  1  0      
  8 11  1  0      
  8 12  2  0      
 11 13  2  0      
 14 12  1  0      
 13 15  1  0      
 15 14  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
M  END
>  <Catalog Number> (1)
B1787

>  <Item Name> (1)
Methyldopa

>  <Formula> (1)
C10H13NO4

>  <MolWeight> (1)
211.21

>  <CAS Number> (1)
555-30-6

>  <Target> (1)
GPCR/G protein

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1787

$$$$

Untitled Document
  ChemDraw02222015562D
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.3116    0.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -1.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682   -2.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2183   -0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061   -0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993    0.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557    0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9681    0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -1.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6872   -1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -1.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5514    1.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1252   -1.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    1.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    2.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6      
  2 12  1  0      
  3 13  1  0      
  6  4  1  6      
  4 11  1  0      
  5  7  1  0      
  5  8  1  0      
  6  7  1  0      
  6  9  1  0      
  8 10  1  0      
  9 10  1  0      
 11 12  1  0      
 11 13  1  0      
  5 14  1  1      
 10 15  1  1      
  7 16  1  6      
 10 17  1  6      
 15 18  1  0      
V    1 1
V    2 5
V    3 6
V    4 7
V    5 8
V    6 9
V    7 10
V    8 11
V    9 12
V   10 13
V   11 15
V   12 16
V   13 17
M  END
>  <Catalog Number> (1)
B1870

>  <Item Name> (1)
Voglibose

>  <Formula> (1)
C10H21NO7

>  <MolWeight> (1)
267.28

>  <CAS Number> (1)
83480-29-9

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1870

$$$$

Untitled Document
  ChemDraw02222016112D
 32 35  0  0  0  0  0  0  0  0999 V2000
    2.2422    3.9516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596    3.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    2.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4845    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2615    1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6692    1.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0289    0.3710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2039    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2038   -0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -1.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.3574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4364   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691   -1.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2518   -2.5091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4268   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191   -1.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6595   -3.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4844   -3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9017   -2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7267   -2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1344   -3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7171   -3.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8921   -3.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1344    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310    3.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061    3.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  2  4  1  0      
  3  5  1  0      
  5  6  2  0      
  6  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9  3  2  0      
  7 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  2  0      
 12 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 20 15  1  0      
 18 21  1  0      
 21 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24 25  2  0      
 25 26  1  0      
 26 27  2  0      
 27 22  1  0      
  4 28  2  0      
 28 29  1  0      
 29 30  2  0      
 30 31  1  0      
 31 32  2  0      
 32  4  1  0      
M  END
>  <Catalog Number> (1)
B1879

>  <Item Name> (1)
AdipoRon

>  <Formula> (1)
C27H28N2O3

>  <MolWeight> (1)
428.52

>  <CAS Number> (1)
924416-43-3

>  <Target> (1)
GPCR/G protein

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1879

$$$$

Untitled Document
  ChemDraw07031410422D
 25 26  0  0  0  0  0  0  0  0999 V2000
    3.5238    1.6062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273   -0.9637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110    0.3212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110   -0.9637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -1.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2982   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2982    0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558    0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1529    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -0.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855   -1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982   -0.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5238   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5238    0.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273   -1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401   -0.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1529   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5238    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1529    0.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0      
  2  6  1  0      
  2 11  1  0      
  3  9  1  0      
  3 10  1  0      
  4  9  2  0      
  5 19  2  0      
  6  7  1  0      
  6  8  1  0      
  6  9  1  0      
 10 15  1  0      
 10 16  1  0      
 11 12  1  0      
 11 13  2  0      
 12 17  2  0      
 18 13  1  0      
 17 14  1  0      
 14 18  2  0      
 14 19  1  0      
 19 20  1  0      
 20 21  1  0      
 20 22  2  0      
 21 23  2  0      
 24 22  1  0      
 23 25  1  0      
 25 24  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
M  END
>  <Catalog Number> (1)
B1943

>  <Item Name> (1)
Fenofibrate

>  <Formula> (1)
C20H21ClO4

>  <MolWeight> (1)
360.83

>  <CAS Number> (1)
49562-28-9

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1943

$$$$

Untitled Document
  ChemDraw07031410442D
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.6063   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316    2.0462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316    0.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189    1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4147    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6063    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1188    1.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189    2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274    1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6063   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8189   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105   -2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8189   -2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0316   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0      
  1 11  1  0      
  2 10  1  0      
  3 10  2  0      
  4  5  1  0      
  4  7  1  0      
  4  8  1  0      
  4 10  1  0      
  5  6  1  0      
  6  9  1  0      
 11 12  1  0      
 11 13  2  0      
 12 15  2  0      
 12 17  1  0      
 14 13  1  0      
 16 14  2  0      
 14 18  1  0      
 15 16  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
M  END
>  <Catalog Number> (1)
B1947

>  <Item Name> (1)
Gemfibrozil

>  <Formula> (1)
C15H22O3

>  <MolWeight> (1)
250.33

>  <CAS Number> (1)
25812-30-0

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1947

$$$$

Untitled Document
  ChemDraw07031410502D
 23 24  0  0  0  0  0  0  0  0999 V2000
    1.6552   -1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9456   -1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5908   -0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9456    0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100   -0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100    0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    0.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100   -1.6726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196   -0.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5908   -1.6726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189   -0.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -0.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5968    0.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2420    1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    0.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737    0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306    1.6726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025    0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7196    0.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359    0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5908    0.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0205    1.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  6  1  1  0      
  1  9  1  6      
  2  3  1  0      
  2 11  1  1      
  3  4  1  0      
  3 12  1  1      
  4  5  1  0      
  5  6  1  0      
  5  7  1  6      
  6 10  1  1      
  7  8  1  0      
 17 12  1  6      
 13 14  1  0      
 17 13  1  0      
 14 15  1  0      
 14 19  1  6      
 15 16  1  0      
 15 18  1  1      
 16 17  1  0      
 16 23  1  6      
 17 21  1  1      
 19 20  1  0      
 21 22  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
M  END
>  <Catalog Number> (1)
B1954

>  <Item Name> (1)
Inulin

>  <Formula> (1)
C6nH10n+2O5n+1

>  <MolWeight> (1)
N/A

>  <CAS Number> (1)
9005-80-5

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1954

$$$$

Untitled Document
  ChemDraw02242010322D
 10  8  0  0  0  0  0  0  0  0999 V2000
    1.3376   -0.9258    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8193   -0.7210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4124    0.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8306    0.7079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4013    1.4321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6443    0.7274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013   -1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443   -0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193    0.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0      
  2  8  1  0      
  2  9  1  0      
  3  9  1  0      
  3 10  2  0      
  4  9  2  0      
  5 10  1  0      
  6 10  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
M  END
>  <Catalog Number> (1)
B1970

>  <Item Name> (1)
Metformin HCl

>  <Formula> (1)
C4H12ClN5

>  <MolWeight> (1)
165.62

>  <CAS Number> (1)
1115-70-4

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B1970

$$$$

Untitled Document
  ChemDraw11151815462D
 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0076    1.9412    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9168    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2375    0.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0      
  3 11  1  0      
  4 11  2  0      
  5  6  1  0      
  5  7  2  0      
  5 11  1  0      
  6  8  2  0      
  9  7  1  0      
  8 10  1  0      
 10  9  2  0      
M  CHG  2   1   1   3  -1
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
M  END
>  <Catalog Number> (1)
B2028

>  <Item Name> (1)
Sodium salicylate

>  <Formula> (1)
C7H5NaO3

>  <MolWeight> (1)
160.1

>  <CAS Number> (1)
54-21-7

>  <Target> (1)
Immunology/Inflammation

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2028

$$$$

Untitled Document
  ChemDraw02242009352D
 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.9622    1.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8327    0.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    0.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729    1.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0081    0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058   -0.3701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6869    1.7590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -1.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4202   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8327   -1.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  6      
  7  2  1  1      
  8  3  1  6      
  4  5  1  0      
  4  9  1  0      
  5  6  1  0      
  5 10  1  1      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  3 11  1  0      
  9 12  1  0      
 12 13  1  0      
 13 14  1  0      
M  END
>  <Catalog Number> (1)
B2111

>  <Item Name> (1)
Miglitol

>  <Formula> (1)
C8H17NO5

>  <MolWeight> (1)
207.22

>  <CAS Number> (1)
72432-03-2

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2111

$$$$

Untitled Document
  ChemDraw07031414112D
 25 27  0  0  0  0  0  0  0  0999 V2000
    2.6302    1.7882    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -1.7421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363    0.7432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2003    2.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5468    1.9020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732   -2.9082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564    1.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930    0.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868    1.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6831    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3366   -2.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6831   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6732   -1.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366   -2.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299    2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831   -2.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732   -1.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3564   -2.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465   -1.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465   -2.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6930   -1.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0      
  1 19  1  0      
  2 14  1  0      
  2 15  1  0      
  3 10  2  0      
  4 19  2  0      
  5 10  1  0      
 19  5  1  0      
 18  6  2  0      
  6 24  1  0      
  7  8  1  6      
  7 10  1  0      
  8  9  1  0      
  9 11  1  0      
  9 12  2  0      
 11 16  2  0      
 17 12  1  0      
 13 15  1  0      
 13 18  1  0      
 16 14  1  0      
 14 17  2  0      
 21 18  1  0      
 20 22  1  0      
 20 23  1  0      
 20 24  2  0      
 23 21  2  0      
 22 25  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
M  END
>  <Catalog Number> (1)
B2117

>  <Item Name> (1)
Pioglitazone

>  <Formula> (1)
C19H20N2O3S

>  <MolWeight> (1)
356.44

>  <CAS Number> (1)
111025-46-8

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2117

$$$$

Untitled Document
  ChemDraw07031414242D
 37 42  0  0  0  0  0  0  0  0999 V2000
   -0.4066    0.4269    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624   -1.5234    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -2.4824    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1664   -1.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0404    0.5273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1511   -0.8038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109   -1.9457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0275   -2.1616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874    0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1286    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874    1.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0431    1.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317    1.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948    0.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7893   -0.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317    2.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0431    2.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874    2.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909   -0.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648    0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5070   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2272    0.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4572   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9108   -0.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770   -0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8901   -1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1954   -2.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816   -2.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0946   -1.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6137   -2.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7223   -1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0431   -1.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718   -2.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9161   -2.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0      
  1  6  2  0      
  1 23  1  0      
  1 24  1  0      
  2 29  1  0      
 30  2  1  0      
  3 30  1  0      
  3 37  1  0      
  4 17  2  0      
  7 17  1  0      
  7 29  1  0      
 29  8  2  0      
 31  8  1  0      
  9 32  1  0      
  9 33  1  0      
  9 36  1  0      
 10 11  1  0      
 10 12  1  0      
 10 13  1  6      
 11 12  1  0      
 11 16  1  1      
 11 17  1  6      
 13 14  1  0      
 13 15  1  0      
 14 19  1  0      
 18 15  1  0      
 16 21  1  0      
 16 22  2  0      
 20 18  1  0      
 19 20  1  0      
 21 25  2  0      
 26 22  1  0      
 23 27  1  0      
 23 28  1  0      
 25 24  1  0      
 24 26  2  0      
 27 28  1  0      
 31 30  2  0      
 32 34  1  0      
 35 33  1  0      
 34 35  1  0      
 36 37  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
V   35 34
V   36 35
V   37 36
M  END
>  <Catalog Number> (1)
B2160

>  <Item Name> (1)
LY2608204

>  <Formula> (1)
C28H37N3O3S3

>  <MolWeight> (1)
559.81

>  <CAS Number> (1)
1234703-40-2

>  <Target> (1)
Metabolism

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2160

$$$$

Untitled Document
  ChemDraw07031414382D
 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.6281    0.9876    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273    1.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223    1.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397    1.7892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4545    0.5868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9339    0.5868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8429    0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1487    0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289    0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2313    0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397    0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6281   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8305    0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8305   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2313   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2313   -1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  1  3  2  0      
  1  6  1  0      
  1 10  1  0      
  4 12  2  0      
  5  8  1  0      
  5 12  1  0      
  6 12  1  0      
  7  8  1  0      
  7  9  1  0      
  9 11  1  0      
 10 13  1  0      
 10 14  2  0      
 13 16  2  0      
 17 14  1  0      
 16 15  1  0      
 15 17  2  0      
 15 18  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
M  END
>  <Catalog Number> (1)
B2194

>  <Item Name> (1)
Tolbutamide

>  <Formula> (1)
C12H18N2O3S

>  <MolWeight> (1)
270.35

>  <CAS Number> (1)
64-77-7

>  <Target> (1)
Membrane Transporter/Ion Channel

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2194

$$$$

Untitled Document
  ChemDraw02272013322D
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7291    0.2963    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346    1.4347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4963    1.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5205    0.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    0.9694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4513    0.4002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.0636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6829    2.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2520    1.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0751    2.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390    1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    2.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3403    0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9616   -0.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634   -0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3925   -1.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4269   -2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960   -1.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6251   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6595   -2.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0      
  1  4  2  0      
  1  7  1  0      
  1 16  1  0      
  2 15  2  0      
  5  6  1  0      
  5 12  1  0      
  5 13  1  0      
  6 15  1  0      
  7 15  1  0      
  8  9  1  0      
  8 10  1  6      
  8 13  1  0      
  9 11  1  6      
  9 12  1  0      
 10 14  1  0      
 11 14  1  0      
 16 17  2  0      
 16 18  1  0      
 17 20  1  0      
 21 18  2  0      
 20 19  2  0      
 19 21  1  0      
 19 22  1  0      
M  END
>  <Catalog Number> (1)
B2195

>  <Item Name> (1)
Gliclazide

>  <Formula> (1)
C15H21N3O3S

>  <MolWeight> (1)
323.41

>  <CAS Number> (1)
21187-98-4

>  <Target> (1)
Membrane Transporter/Ion Channel

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2195

$$$$

Untitled Document
  ChemDraw07031414382D
 37 40  0  0  0  0  0  0  0  0999 V2000
    2.9033   -0.2710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758   -2.5565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -0.5975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563    0.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3173   -1.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2298   -0.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4688    0.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768    1.4255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897   -1.5770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768    0.2945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033    1.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563    1.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768    2.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033    3.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    2.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563    3.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -2.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897   -2.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7288   -3.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817   -3.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758   -1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033    0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863   -2.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6413   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863   -1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068   -1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -2.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -0.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068   -0.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723   -0.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0      
  1  7  2  0      
  1 10  1  0      
  1 32  1  0      
  2 19  2  0      
  3 24  2  0      
  4 25  2  0      
  5 31  1  0      
  5 37  1  0      
  8 11  1  0      
  8 25  1  0      
  9 19  1  0      
  9 23  1  0      
  9 24  1  0      
 10 25  1  0      
 11 12  1  0      
 11 13  1  0      
 12 15  1  0      
 14 13  1  0      
 16 14  1  0      
 15 16  1  0      
 18 17  1  0      
 17 19  1  0      
 17 21  1  0      
 17 22  1  0      
 20 18  1  0      
 26 18  2  0      
 24 20  1  0      
 20 28  2  0      
 23 27  1  0      
 30 26  1  0      
 27 29  1  0      
 28 31  1  0      
 29 33  1  0      
 29 34  2  0      
 31 30  2  0      
 35 32  1  0      
 32 36  2  0      
 33 35  2  0      
 36 34  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
V   35 34
V   36 35
V   37 36
M  END
>  <Catalog Number> (1)
B2196

>  <Item Name> (1)
Gliquidone

>  <Formula> (1)
C27H33N3O6S

>  <MolWeight> (1)
527.63

>  <CAS Number> (1)
33342-05-1

>  <Target> (1)
Membrane Transporter/Ion Channel

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2196

$$$$

Untitled Document
  ChemDraw07031414392D
 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.0000    0.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5646    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235   -1.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -0.3702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235   -1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235   -0.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2823   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6412   -0.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6412   -1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2823    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646   -1.4807    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
   -2.5646   -2.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2058   -1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2823    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2823    0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235   -0.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5646    0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235    1.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2058    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5646    2.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2058    1.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0      
  2 17  1  0      
  3 17  2  0      
  4 12  1  0      
 15  4  1  6      
  5  6  1  0      
  5  7  1  0      
  5 11  1  6      
  6 10  1  0      
  9  7  1  0      
  8  9  1  0      
 10  8  1  0      
  8 12  1  6      
 11 13  1  0      
 11 14  1  0      
 15 16  1  0      
 15 17  1  0      
 16 18  1  0      
 18 19  1  0      
 18 20  2  0      
 19 21  2  0      
 22 20  1  0      
 21 23  1  0      
 23 22  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
M  END
>  <Catalog Number> (1)
B2198

>  <Item Name> (1)
Nateglinide

>  <Formula> (1)
C19H27NO3

>  <MolWeight> (1)
317.42

>  <CAS Number> (1)
105816-04-4

>  <Target> (1)
Membrane Transporter/Ion Channel

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2198

$$$$

Untitled Document
  ChemDraw02272013372D
 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.1825   -0.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5332   -2.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    2.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536    2.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -1.5978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536    0.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556   -2.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8006   -2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806   -2.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3881   -3.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243   -2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1356   -2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -2.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9201   -1.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392    1.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3899    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    2.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3899    3.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0      
  2 16  2  0      
  3 16  1  0      
  4 21  1  0      
  4 26  1  0      
  5 21  2  0      
  6  9  1  0      
  6 13  1  0      
  6 15  1  0      
 17  7  1  0      
 19  7  1  6      
  8  9  1  0      
  8 10  1  1      
  8 11  1  0      
  9 12  1  1      
 10 13  1  0      
 11 14  1  0      
 12 14  1  0      
 13 16  1  1      
 15 17  1  0      
 17 18  1  1      
 19 20  1  0      
 19 21  1  0      
 20 22  1  0      
 22 23  1  0      
 23 24  1  0      
 23 25  2  0      
 24 27  2  0      
 28 25  1  0      
 26 29  1  0      
 27 30  1  0      
 30 28  2  0      
M  END
>  <Catalog Number> (1)
B2208

>  <Item Name> (1)
Ramipril

>  <Formula> (1)
C23H32N2O5

>  <MolWeight> (1)
416.51

>  <CAS Number> (1)
87333-19-5

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2208

$$$$

Untitled Document
  ChemDraw02242013182D
 32 34  0  0  0  0  0  0  0  0999 V2000
   -3.2151    1.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    2.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748    1.9080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1745    2.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447    3.2410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1149    2.9454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.5910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -3.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -2.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  5  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9 10  1  0      
 10 11  2  0      
 11  7  1  0      
  4 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14 15  2  0      
 15 16  1  0      
 16 17  2  0      
 17 12  1  0      
 18 19  1  0      
 19 20  1  0      
 20 21  1  0      
 21 15  1  0      
 18 22  1  0      
 22 23  1  0      
 23 24  1  0      
 19 25  2  0      
 26 20  1  6      
 26 27  1  0      
 27 28  1  0      
 29 30  1  0      
 30 26  1  0      
 27 31  1  0      
 30 32  2  0      
M  END
>  <Catalog Number> (1)
B2214

>  <Item Name> (1)
Valsartan

>  <Formula> (1)
C24H29N5O3

>  <MolWeight> (1)
435.52

>  <CAS Number> (1)
137862-53-4

>  <Target> (1)
GPCR/G protein

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2214

$$$$

Untitled Document
  ChemDraw02222015152D
 39 41  0  0  0  0  0  0  0  0999 V2000
    2.4426    0.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1952   -0.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5223    0.2445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365    1.3888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5668   -1.0328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303    2.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730    1.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872    1.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0095    2.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033    3.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7175    3.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507    1.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2303   -0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3365    0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8142    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7526   -1.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588   -0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0445    2.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0891   -1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9033   -1.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7971   -2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5668    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4256   -2.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3194   -3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1336   -2.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616    3.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4607    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0095   -0.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306   -0.4035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9364   -3.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6472   -1.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487   -2.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2183   -1.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198   -2.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320   -1.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350   -2.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0      
  2 22  1  0      
  2 31  1  0      
  3 14  1  0      
  3 15  1  0      
  3 16  1  0      
  4 13  1  0      
  4 17  1  0      
  4 20  1  0      
 18  5  1  0      
  5 19  1  0      
  5 21  1  0      
 20  6  2  0      
  6 29  1  0      
  7  8  1  0      
  7  9  1  0      
  7 13  1  0      
  8 11  1  0      
 10  9  1  0      
 12 10  1  0      
 11 12  1  0      
 14 17  1  0      
 15 18  1  0      
 19 16  1  0      
 24 20  1  0      
 21 22  1  0      
 21 23  2  0      
 22 25  2  0      
 26 23  1  0      
 27 24  2  0      
 25 28  1  0      
 28 26  2  0      
 30 27  1  0      
 30 29  2  0      
 32 38  1  0      
 33 39  1  0      
 34 38  2  0      
 35 39  2  0      
 36 37  2  0      
 36 38  1  0      
 37 39  1  0      
M  END
>  <Catalog Number> (1)
B2260

>  <Item Name> (1)
WAY-100635 maleate salt

>  <Formula> (1)
C25H34N4O2.C4H4O4

>  <MolWeight> (1)
538.64

>  <CAS Number> (1)
1092679-51-0

>  <Target> (1)
Neuroscience

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2260

$$$$

Untitled Document
  ChemDraw11151816182D
 40 43  0  0  0  0  0  0  0  0999 V2000
    3.9469   -0.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1964   -2.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164   -1.7630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8363   -0.9572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563   -0.1514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043   -1.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391   -1.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479   -0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856   -1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -0.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512   -2.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7668    0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789   -0.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7262   -2.4443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137   -3.1588    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.9012   -3.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992   -2.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281   -3.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0729    0.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4854    1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0729    1.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521    1.8609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646    1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521    0.4320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3104    1.1465    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9896    1.1465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5729    1.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1604    2.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5729    3.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979    3.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8104    2.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979    1.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1604    3.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3354    3.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8104    3.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6354    3.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6354    2.4443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0479    1.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0      
  1 11  1  0      
  2  7  2  0      
  3  7  1  0      
  3  8  1  0      
  3 12  1  0      
  4  8  2  0      
 14  4  1  0      
  5 14  1  0      
  7  6  1  0      
  6  9  1  0      
  6 10  1  0      
 11  8  1  0      
 11 13  2  0      
 13 15  1  0      
 15 14  2  0      
 12 16  1  0      
 16 17  1  0      
 17 18  1  0      
 17 19  1  0      
 17 20  2  0      
  5 21  1  0      
 21 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24 25  2  0      
 25 26  1  0      
 26 21  2  0      
 22 27  1  0      
 25 28  1  0      
 28 29  1  0      
 29 30  2  0      
 30 31  1  0      
 31 32  2  0      
 32 33  1  0      
 33 34  2  0      
 34 29  1  0      
 31 35  1  0      
 35 36  1  0      
 32 37  1  0      
 37 38  1  0      
 33 39  1  0      
 39 40  1  0      
V    1 2
V    2 3
V    3 11
V    4 12
V    5 13
V    6 17
V    7 18
V    8 19
V    9 20
V   10 21
V   11 22
V   12 23
V   13 24
V   14 25
V   15 26
M  END
>  <Catalog Number> (1)
B2284

>  <Item Name> (1)
Fostamatinib (R788)

>  <Formula> (1)
C23H26FN6O9P

>  <MolWeight> (1)
580.46

>  <CAS Number> (1)
901119-35-5

>  <Target> (1)
Tyrosine Kinase

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B2284

$$$$

Untitled Document
  ChemDraw03072011052D
 31 30  0  0  0  0  0  0  0  0999 V2000
   -1.2682    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2947    2.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924    2.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5896   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826    1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5537    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5896    3.9186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7363    1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2884    0.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8759    0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5537    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079    2.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5896   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5896   -3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607   -3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751   -3.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6924    1.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6924    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0      
  2 18  1  0      
  3 18  2  0      
  4 22  1  0      
  5 22  2  0      
  6  9  1  0      
  6 11  1  0      
  6 14  1  0      
 13  7  1  6      
 16  7  1  6      
  8 23  1  0      
  9 10  1  0      
  9 18  1  1      
 10 12  1  0      
 11 12  1  0      
 13 14  1  0      
 13 15  1  0      
 15 17  1  0      
 16 19  1  0      
 16 22  1  0      
 17 20  1  0      
 19 21  1  0      
 20 23  1  0      
 21 24  1  0      
 24 25  1  0      
 24 26  2  0      
 25 27  2  0      
 28 26  1  0      
 27 29  1  0      
 29 28  2  0      
M  END
>  <Catalog Number> (1)
B3290

>  <Item Name> (1)
Lisinopril dihydrate

>  <Formula> (1)
C21H35N3O7

>  <MolWeight> (1)
441.52

>  <CAS Number> (1)
83915-83-7

>  <Target> (1)
Endocrinology and Hormones

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B3290

$$$$

Untitled Document
  ChemDraw03182013492D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 3.215119 -0.195938 0.000000 0
M  V30 2 C 2.500648 0.216562 0.000000 0
M  V30 3 N 2.500648 1.041562 0.000000 0
M  V30 4 C 3.215119 1.454063 0.000000 0
M  V30 5 C 3.929590 1.041562 0.000000 0
M  V30 6 O 4.644061 1.454063 0.000000 0
M  V30 7 C 1.786178 1.454063 0.000000 0
M  V30 8 C 1.071706 1.041562 0.000000 0
M  V30 9 C 0.357235 1.454063 0.000000 0
M  V30 10 C -0.357235 1.041562 0.000000 0
M  V30 11 N -1.071706 1.454063 0.000000 0
M  V30 12 C -1.786178 1.041562 0.000000 0
M  V30 13 C -1.786178 0.216562 0.000000 0
M  V30 14 C -2.500648 -0.195938 0.000000 0
M  V30 15 N -3.215119 0.216562 0.000000 0
M  V30 16 C -3.215119 1.041562 0.000000 0
M  V30 17 C -3.929590 1.454063 0.000000 0
M  V30 18 C -3.929590 2.279063 0.000000 0
M  V30 19 Cl -4.644061 2.691562 0.000000 0
M  V30 20 C -3.215119 2.691562 0.000000 0
M  V30 21 C -2.500648 2.279063 0.000000 0
M  V30 22 C -2.500648 1.454063 0.000000 0
M  V30 23 C -0.357235 0.216562 0.000000 0
M  V30 24 O 0.477811 -2.691562 0.000000 0
M  V30 25 S 0.477811 -1.866562 0.000000 0
M  V30 26 O -0.347189 -1.866562 0.000000 0
M  V30 27 O 1.302811 -1.866562 0.000000 0
M  V30 28 O 0.477811 -1.041562 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 3 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 12 22
M  V30 23 1 16 22
M  V30 24 1 10 23
M  V30 25 2 24 25
M  V30 26 1 25 26
M  V30 27 1 25 27
M  V30 28 2 25 28
M  V30 END BOND
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
B4874

>  <Item Name> (1)
Hydroxychloroquine Sulfate

>  <Formula> (1)
C18H28ClN3O5S

>  <MolWeight> (1)
433.95

>  <CAS Number> (1)
747-36-4

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B4874

$$$$

Untitled Document
  ChemDraw12191412222D
 41 45  0  0  0  0  0  0  0  0999 V2000
    2.6872   -3.8619    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3913   -3.7408    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386   -3.0704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7474    1.9381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766    0.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025   -1.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6761   -1.1804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705    0.1603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7960    2.7295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349    2.3013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -2.3351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4252    1.0817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9571    3.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0782    3.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6274    3.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002    2.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -1.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191   -0.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4664    0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274   -0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288   -1.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7247   -1.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4177    0.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3391    2.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775   -2.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678   -1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733   -2.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5636   -1.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164   -2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9344   -3.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5863    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1294    0.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1780    1.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -1.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0058   -1.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9197   -0.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100   -1.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669   -0.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2155   -0.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0      
  2 30  1  0      
  3 30  1  0      
  4 16  2  0      
  5 32  1  0      
  5 37  1  0      
  6 34  2  0      
  7 17  1  0      
  7 18  1  0      
  7 21  1  0      
  8 19  1  0      
 20  8  1  0      
  8 23  1  0      
  9 16  1  0      
  9 24  1  0      
 24 10  2  0      
 33 10  1  0      
 11 29  1  0      
 11 34  1  0      
 32 12  1  0      
 12 33  2  0      
 13 14  1  0      
 13 15  1  0      
 13 16  1  0      
 14 15  1  0      
 17 20  1  0      
 19 18  1  0      
 21 22  1  0      
 22 25  1  0      
 22 26  2  0      
 24 31  1  0      
 25 27  2  0      
 25 30  1  0      
 28 26  1  0      
 27 29  1  0      
 29 28  2  0      
 31 32  2  0      
 34 35  1  0      
 35 36  1  0      
 36 38  1  0      
 36 39  2  0      
 40 37  1  0      
 37 41  2  0      
 38 40  2  0      
 41 39  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
V   35 34
V   36 35
V   37 36
V   38 37
V   39 38
V   40 39
V   41 40
M  END
>  <Catalog Number> (1)
B4880

>  <Item Name> (1)
WS6

>  <Formula> (1)
C29H31F3N6O3

>  <MolWeight> (1)
568.59

>  <CAS Number> (1)
1421227-53-3

>  <Target> (1)
Immunology/Inflammation

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B4880

$$$$

Untitled Document
  ChemDraw12191412432D
 30 33  0  0  0  0  0  0  0  0999 V2000
    0.4580   -1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3326   -2.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    3.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    1.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3281    0.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022   -0.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4589   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0085    0.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1954   -1.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9354    0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253    0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8055   -1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0786   -0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1557   -0.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613    1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7658   -0.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7225   -1.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622   -2.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -3.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0816    2.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861    2.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6      
 24  2  1  6      
  3 30  1  0      
  4 30  2  0      
  5  6  1  0      
  5  7  1  6      
  5 12  1  0      
  6  9  1  0      
  6 13  1  1      
  7  8  1  0      
  7 16  1  1      
  8 11  1  0      
  8 14  1  0      
  8 20  1  1      
  9 10  1  0      
  9 18  1  0      
  9 21  1  1      
 10 15  1  0      
 10 19  1  6      
 11 17  1  1      
 11 22  1  0      
 12 15  1  0      
 13 14  1  0      
 15 25  1  6      
 16 17  1  0      
 18 23  1  0      
 19 24  1  0      
 22 26  1  0      
 22 27  1  6      
 23 24  1  0      
 25 28  1  0      
 26 29  1  0      
 29 30  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
M  END
>  <Catalog Number> (1)
B4888

>  <Item Name> (1)
Obeticholic Acid

>  <Formula> (1)
C26H44O4

>  <MolWeight> (1)
420.63

>  <CAS Number> (1)
459789-99-2

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B4888

$$$$

Untitled Document
  ChemDraw11041516253D
 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4678   -3.4982    0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4797    3.3731   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775    3.4982   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2081    2.0074   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4701    1.0171   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -1.1198    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5798   -2.2996    0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558   -0.3066   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    0.1466    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2596   -1.5544    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7450    2.6277   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2047    0.2717   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    2.1325   -0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1406    2.8779   -0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0668    1.6373   -0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760   -1.0518    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    1.5122   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5472    2.5026   -0.0672 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384    3.0030   -0.6525 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5495    2.1399   -0.5509 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -1.4864    0.1169 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7416   -0.3486    0.0769 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -2.2576    0.3458 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145   -3.3805    0.6525 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -2.3753    0.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1344    0.7668    0.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -2.8779    0.4331 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070    0.3968   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2236    2.4258   -0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6037    2.2576   -0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0      
 10  6  1  0      
 10  7  2  0      
 11  2  1  0      
 11  4  2  0      
 12  5  1  0      
 12  9  1  0      
 13  4  1  0      
 14  3  1  0      
 14 13  2  0      
 15  5  1  0      
 16  8  1  0      
 16 10  1  0      
 17 13  1  0      
 17 15  1  0      
 18 11  1  0      
 19 14  1  0      
 15 20  1  1      
 21 16  2  0      
 22  6  1  0      
 22  8  1  0      
 22 12  1  0      
 23  7  1  0      
 23 21  1  0      
 26  9  1  0      
 26 17  1  0      
 27  1  1  0      
 27 23  1  0      
 27 24  2  0      
 27 25  2  0      
 12 28  1  6      
 15 29  1  6      
 17 30  1  1      
M  END
>  <Catalog Number> (1)
B5868

>  <Item Name> (1)
MK3102

>  <Formula> (1)
C17H20F2N4O3S

>  <MolWeight> (1)
398.43

>  <CAS Number> (1)
1226781-44-7

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B5868

$$$$

Untitled Document
  ChemDraw11191510212D
 28 29  0  0  0  0  0  0  0  0999 V2000
   -2.3097   -3.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7213   -1.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    3.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846   -0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417   -2.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -2.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9251   -1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7962   -0.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827    1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6943    0.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796   -1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5135   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1545    0.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533   -1.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661   -0.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526    1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213   -3.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097   -1.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692    2.3339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8232   -2.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078   -0.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1808    2.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981   -1.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2571    0.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0      
  8  6  1  0      
  9  7  2  0      
 13  1  1  0      
 14  2  1  0      
 15  3  1  0      
 16  4  1  0      
 16  6  2  0      
 16  7  1  0      
 17  5  1  0      
 17 10  2  0      
 17 11  1  0      
 18  8  2  0      
 18  9  1  0      
 19 10  1  0      
 19 12  2  0      
 20 11  2  0      
 20 12  1  0      
 21 13  2  0      
 22 14  2  0      
 23 15  2  0      
 24 13  1  0      
 24 18  1  0      
 25 14  1  0      
 25 19  1  0      
 26 15  1  0      
 26 20  1  0      
 27  4  1  0      
 28  5  1  0      
M  END
>  <Catalog Number> (1)
B5971

>  <Item Name> (1)
Triacetyl Resveratrol

>  <Formula> (1)
C20H18O6

>  <MolWeight> (1)
354.35

>  <CAS Number> (1)
42206-94-0

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B5971

$$$$

Untitled Document
  ChemDraw01171715582D
 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.6678   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270    0.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406    0.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1814   -1.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4864   -0.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9728    1.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339   -0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8203    0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -0.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4864    1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6389   -1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795    2.3323    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3339    1.1757    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1253   -2.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -0.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795   -1.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0      
  4  1  2  0      
  7  1  1  0      
  7  5  2  0      
  8  2  1  0      
  8  6  2  0      
  9  3  1  0      
  9  7  1  0      
 10  5  1  0      
 11  6  1  0      
 11  9  2  0      
 12  4  1  0      
 12 10  2  0      
 13 10  1  0      
 14  8  1  0      
 15 11  1  0      
 16 12  1  0      
 17 13  2  0      
 18 13  1  0      
M  END
>  <Catalog Number> (1)
B6137

>  <Item Name> (1)
Diflunisal

>  <Formula> (1)
C13H8F2O3

>  <MolWeight> (1)
250.2

>  <CAS Number> (1)
22494-42-4

>  <Target> (1)
Neuroscience

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B6137

$$$$

Untitled Document
  ChemDraw03172015402D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 50 55 0 0 1
M  V30 BEGIN ATOM
M  V30 1 H 2.382465 -2.581291 0.000000 0
M  V30 2 C 2.382465 -1.756291 0.000000 0
M  V30 3 C 3.096936 -2.168791 0.000000 0
M  V30 4 C 3.811407 -1.756291 0.000000 0
M  V30 5 C 4.627281 -1.878652 0.000000 0
M  V30 6 Br 5.039781 -2.593124 0.000000 0
M  V30 7 N 5.039781 -1.164182 0.000000 0
M  V30 8 C 4.525878 -0.518791 0.000000 0
M  V30 9 C 4.525878 0.306209 0.000000 0
M  V30 10 C 3.811407 0.718709 0.000000 0
M  V30 11 C 3.096936 0.306209 0.000000 0
M  V30 12 C 3.096936 -0.518791 0.000000 0
M  V30 13 C 2.382465 -0.931291 0.000000 0
M  V30 14 C 1.667994 -0.518791 0.000000 0
M  V30 15 C 0.953523 -0.931291 0.000000 0
M  V30 16 C 0.239052 -0.518791 0.000000 0
M  V30 17 N -0.475419 -0.931291 0.000000 0
M  V30 18 C -1.189890 -0.518791 0.000000 0
M  V30 19 C -1.189890 -1.343791 0.000000 0
M  V30 20 C -1.904361 -1.756291 0.000000 0
M  V30 21 C -0.475419 -1.756291 0.000000 0
M  V30 22 C -2.010370 -0.432555 0.000000 0
M  V30 23 N -2.181898 0.374416 0.000000 0
M  V30 24 C -2.896368 0.786916 0.000000 0
M  V30 25 C -3.610839 0.374416 0.000000 0
M  V30 26 C -4.325310 0.786916 0.000000 0
M  V30 27 C -4.325310 1.611916 0.000000 0
M  V30 28 C -5.039781 0.374416 0.000000 0
M  V30 29 C -2.896368 1.611916 0.000000 0
M  V30 30 N -2.181898 2.024416 0.000000 0
M  V30 31 C -2.010370 2.831388 0.000000 0
M  V30 32 C -1.189890 2.917624 0.000000 0
M  V30 33 C -0.854332 2.163949 0.000000 0
M  V30 34 C -1.467426 1.611916 0.000000 0
M  V30 35 C -1.467426 0.786916 0.000000 0
M  V30 36 O -0.666932 0.986502 0.000000 0
M  V30 37 O -0.854332 0.234884 0.000000 0
M  V30 38 H -0.666932 1.412331 0.000000 0
M  V30 39 O -3.610839 2.024416 0.000000 0
M  V30 40 O -2.562403 -1.045650 0.000000 0
M  V30 41 O 0.239052 0.306209 0.000000 0
M  V30 42 C 0.953523 -1.756291 0.000000 0
M  V30 43 N 1.667994 -2.168791 0.000000 0
M  V30 44 C 1.667994 -2.993791 0.000000 0
M  V30 45 C 3.811407 -0.931291 0.000000 0
M  V30 46 C 3.147561 2.168791 0.000000 0
M  V30 47 S 2.322561 2.168791 0.000000 0
M  V30 48 O 2.322561 1.343791 0.000000 0
M  V30 49 O 1.497561 2.168791 0.000000 0
M  V30 50 O 2.322561 2.993791 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1 CFG=3
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 2 13
M  V30 14 2 13 14
M  V30 15 1 14 15
M  V30 16 1 15 16 CFG=3
M  V30 17 1 16 17
M  V30 18 1 18 17 CFG=1
M  V30 19 1 18 19 CFG=3
M  V30 20 1 19 20
M  V30 21 1 19 21
M  V30 22 1 18 22
M  V30 23 1 22 23
M  V30 24 1 23 24
M  V30 25 1 24 25 CFG=1
M  V30 26 1 25 26
M  V30 27 1 26 27
M  V30 28 1 26 28
M  V30 29 1 24 29
M  V30 30 1 29 30
M  V30 31 1 30 31
M  V30 32 1 31 32
M  V30 33 1 32 33
M  V30 34 1 33 34
M  V30 35 1 30 34
M  V30 36 1 34 35
M  V30 37 1 23 35
M  V30 38 1 35 36 CFG=1
M  V30 39 1 35 37
M  V30 40 1 18 37
M  V30 41 1 34 38 CFG=3
M  V30 42 2 29 39
M  V30 43 2 22 40
M  V30 44 2 16 41
M  V30 45 1 15 42
M  V30 46 1 42 43
M  V30 47 1 2 43
M  V30 48 1 43 44
M  V30 49 2 12 45
M  V30 50 1 8 45
M  V30 51 1 4 45
M  V30 52 1 46 47
M  V30 53 2 47 48
M  V30 54 1 47 49
M  V30 55 2 47 50
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(6 2 15 18 24 34 35)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
B6298

>  <Item Name> (1)
Bromocriptine mesylate

>  <Formula> (1)
C32H40BrN5O5.CH3SO3H

>  <MolWeight> (1)
750.7

>  <CAS Number> (1)
22260-51-1

>  <Target> (1)
Neuroscience

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B6298

$$$$

Untitled Document
  ChemDraw03172015092D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 21 0 0 1
M  V30 BEGIN ATOM
M  V30 1 Cl -3.545162 -3.558162 0.000000 0
M  V30 2 C -3.199344 -2.809140 0.000000 0
M  V30 3 C -3.675108 -2.135141 0.000000 0
M  V30 4 C -3.329290 -1.386119 0.000000 0
M  V30 5 C -2.507708 -1.311094 0.000000 0
M  V30 6 O -2.161890 -0.562072 0.000000 0
M  V30 7 C -1.340309 -0.487048 0.000000 0
M  V30 8 C -0.994491 0.261975 0.000000 0
M  V30 9 C -0.172909 0.336999 0.000000 0
M  V30 10 C 0.172909 1.086022 0.000000 0
M  V30 11 C 0.994491 1.161046 0.000000 0
M  V30 12 C 1.340308 1.910069 0.000000 0
M  V30 13 C 2.161890 1.985093 0.000000 0
M  V30 14 C 2.236914 1.163511 0.000000 0
M  V30 15 O 2.910913 1.639275 0.000000 0
M  V30 16 C 2.507708 2.734115 0.000000 0
M  V30 17 O 3.329290 2.809140 0.000000 0 CHG=-1
M  V30 18 O 2.031945 3.408114 0.000000 0
M  V30 19 C -2.031945 -1.985093 0.000000 0
M  V30 20 C -2.377763 -2.734116 0.000000 0
M  V30 21 Na 3.675108 3.558162 0.000000 0 CHG=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14 CFG=3
M  V30 14 1 14 15
M  V30 15 1 13 15 CFG=1
M  V30 16 1 13 16
M  V30 17 1 16 17
M  V30 18 2 16 18
M  V30 19 1 5 19
M  V30 20 2 19 20
M  V30 21 1 2 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
B7679

>  <Item Name> (1)
(R)-(+)-Etomoxir sodium salt

>  <Formula> (1)
C15H18ClNaO4

>  <MolWeight> (1)
320.74

>  <CAS Number> (1)
828934-41-4

>  <Target> (1)
Chromatin/Epigenetics

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B7679

$$$$

Untitled Document
  ChemDraw09291915292D
 44 45  0  0  0  0  0  0  0  0999 V2000
   -5.7253    5.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2109    5.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8762    4.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0558    4.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5702    4.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9049    5.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0601    6.5673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0313    5.2335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8161    5.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0516    4.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3618    3.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7210    3.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9006    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5659    2.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0515    2.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7455    2.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4107    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5903    1.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2555    1.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7411    0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351    0.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1004    0.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200    0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548   -0.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3608   -0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100   -1.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0303   -1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651   -2.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855   -2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6711   -1.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3990   -3.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1959   -3.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1959   -4.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126   -4.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261   -5.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6230   -5.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2063   -5.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928   -4.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -3.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313   -5.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0355   -6.5673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8157   -4.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -5.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  1  7  1  1      
  2  8  2  0      
  5  9  1  0      
  5 10  1  0      
  3 11  1  0      
  4 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14 15  1  0      
 14 16  2  0      
 16 17  1  0      
 17 18  2  0      
 18 19  1  0      
 19 20  1  0      
 19 21  2  0      
 21 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24 25  2  0      
 25 26  1  0      
 25 27  1  0      
 27 28  2  0      
 28 29  1  0      
 29 30  2  0      
 30 31  1  0      
 30 32  1  0      
 32 33  2  0      
 33 34  1  0      
 34 35  1  0      
 35 36  1  0      
 36 37  1  0      
 37 38  1  0      
 38 39  1  0      
 39 34  2  0      
 39 40  1  0      
 38 41  2  0      
 37 42  1  1      
 35 43  1  0      
 35 44  1  0      
M  END
>  <Catalog Number> (1)
B8611

>  <Item Name> (1)
Astaxanthin

>  <Formula> (1)
C40H52O4

>  <MolWeight> (1)
596.84

>  <CAS Number> (1)
472-61-7

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=B8611

$$$$

Untitled Document
  ChemDraw07201715342D
 39 42  0  0  0  0  0  0  0  0999 V2000
   -1.2429    1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992    1.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3824    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4783    2.7620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2909    2.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742    3.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868    3.8211    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    3.9633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5290    3.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447    4.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    1.3544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967    0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5262    0.7858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2557   -0.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3717   -1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980   -1.8975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225   -1.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0088   -1.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362   -2.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -2.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6743   -3.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4988   -3.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124   -3.9946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369   -3.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7614   -3.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1995   -4.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1477   -3.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7095   -2.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8851   -2.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714   -1.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4469   -1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0606   -2.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332   -1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3951   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5706   -0.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8786    0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
  9 11  2  0      
  9 12  2  0      
  5 13  2  0      
  2 14  1  0      
 14 15  1  6      
 14 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  6      
 18 20  1  0      
 20 21  1  1      
 20 22  1  0      
 22 23  1  1      
 22 24  1  0      
 24 25  1  0      
 25 26  1  1      
 25 27  1  0      
 27 28  1  0      
 28 29  1  6      
 28 30  1  0      
 30 31  1  0      
 31 32  1  0      
 25 32  1  0      
 32 33  1  1      
 32 34  1  0      
 20 34  1  0      
 34 35  1  6      
 34 36  1  0      
 36 37  1  0      
 37 38  1  0      
 18 38  1  0      
 14 38  1  0      
 38 39  1  1      
M  END
>  <Catalog Number> (1)
C3233

>  <Item Name> (1)
Tauroursodeoxycholic Acid 

>  <Formula> (1)
C26H45NO6S

>  <MolWeight> (1)
499.7

>  <CAS Number> (1)
14605-22-2

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=C3233

$$$$

Untitled Document
  ChemDraw07281713192D
 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.8101    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9858    0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0452   -0.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2209    0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627    0.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1615   -1.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -0.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8101   -1.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  6      
  2  4  1  0      
  4  5  1  6      
  4  6  1  0      
  6  7  1  1      
  6  8  1  0      
  8  9  1  1      
  8 10  1  0      
 10 11  2  0      
M  END
>  <Catalog Number> (1)
C3589

>  <Item Name> (1)
L-(?)-Fucose

>  <Formula> (1)
C6H12O5

>  <MolWeight> (1)
164.16

>  <CAS Number> (1)
2438-80-4

>  <Target> (1)
Immunology/Inflammation

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=C3589

$$$$

Untitled Document
  ChemDraw05271711032D
 36 40  0  0  0  0  0  0  0  0999 V2000
    1.0326    3.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010    2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8347    3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853    1.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785    0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3765    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716   -0.1330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804    0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912   -0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9843   -1.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932   -0.8021    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
    0.3863   -1.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2117   -2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029   -1.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6010   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -3.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347   -3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3921   -2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9902   -2.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5853   -1.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3765   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9873   -0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1961   -1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5980   -0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049   -1.3704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1932    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5980    0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961    1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892    0.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029    1.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  2  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  1  1      
  7  8  1  0      
  7  9  2  0      
  6 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  6      
 12 14  1  0      
 14 15  1  1      
 14 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 19 21  1  0      
 19 22  1  0      
 22 23  1  1      
 22 24  1  0      
 24 25  1  6      
 24 26  1  0      
 26 27  1  0      
 18 27  1  0      
 27 28  1  1      
 27 29  1  0      
 14 29  1  0      
 29 30  1  6      
 29 31  1  0      
 31 32  1  0      
 32 33  2  0      
 12 33  1  0      
 33 34  1  0      
  6 34  1  0      
 34 35  1  6      
 34 36  1  0      
  2 36  1  0      
M  END
>  <Catalog Number> (1)
C4832

>  <Item Name> (1)
Maslinic Acid

>  <Formula> (1)
C30H48O4

>  <MolWeight> (1)
472.7

>  <CAS Number> (1)
4373-41-5

>  <Target> (1)
Apoptosis

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=C4832

$$$$

Untitled Document
  ChemDraw07261715362D
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.6331   -1.1380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8106   -1.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545   -1.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6319   -2.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758   -2.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -1.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6570   -1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1235   -0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9460   -0.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7674    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338    0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777    1.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    2.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331    2.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5228    1.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0563    0.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131   -2.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5216   -0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441   -0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  1  0      
  4  6  2  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  8 10  2  0      
 10 11  1  0      
 11 12  2  0      
 12 13  1  0      
 12 14  1  0      
 14 15  2  0      
 15 16  1  0      
 15 17  1  0      
 17 18  2  0      
 11 18  1  0      
 10 19  1  0      
  7 20  2  0      
  6 21  1  0      
 19 21  1  0      
 21 22  2  0      
  2 22  1  0      
M  END
>  <Catalog Number> (1)
C5297

>  <Item Name> (1)
Morin

>  <Formula> (1)
C15H10O7

>  <MolWeight> (1)
302.24

>  <CAS Number> (1)
480-16-0

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=C5297

$$$$

Untitled Document
  ChemDraw09301915052D
  9  8  0  0  0  0  0  0  0  0999 V2000
   -0.8181   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3987   -1.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430   -0.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181    0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6430    0.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987    1.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8318   -0.7065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  3  4  1  0      
  4  1  1  0      
  1  5  1  0      
  3  6  1  0      
  6  7  1  0      
  6  8  2  0      
  3  9  1  1      
M  END
>  <Catalog Number> (1)
C6104

>  <Item Name> (1)
L-Leucine

>  <Formula> (1)
C6H13NO2

>  <MolWeight> (1)
131.17

>  <CAS Number> (1)
61-90-5

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=C6104

$$$$

Untitled Document
  ChemDraw09301916002D
  9  8  0  0  0  0  0  0  0  0999 V2000
   -1.4279    1.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450    0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864   -0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3692   -1.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    0.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2794   -1.0623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  5  7  2  0      
  4  8  1  1      
  3  9  1  6      
M  END
>  <Catalog Number> (1)
C6111

>  <Item Name> (1)
(2S,3S)-2-Amino-3-methylpentanoic acid

>  <Formula> (1)
C6H13NO2

>  <MolWeight> (1)
131.17

>  <CAS Number> (1)
73-32-5

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=C6111

$$$$

Untitled Document
  ChemDraw10071911062D
 11 11  0  0  0  0  0  0  0  0999 V2000
    0.3825   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0866    0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0663    0.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3419    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3622    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3419   -0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7704    1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0460   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704   -0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0257   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028   -1.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  3  7  1  0      
  6  8  1  0      
  8  9  1  0      
  8 10  1  0      
  1 11  1  0      
M  END
>  <Catalog Number> (1)
C6149

>  <Item Name> (1)
Thymol

>  <Formula> (1)
C10H14O

>  <MolWeight> (1)
150.22

>  <CAS Number> (1)
89-83-8

>  <Target> (1)
Immunology/Inflammation

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=C6149

$$$$

Untitled Document
  ChemDraw10071916242D
 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.9390   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5094   -1.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2783   -2.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4769   -2.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065   -2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1376   -1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -1.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7659   -0.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5673   -0.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8369   -1.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059   -0.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956   -0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9776   -0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762    0.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479    0.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    1.3275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5154    1.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    0.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3726    0.5106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6511    1.2871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9986    1.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1701   -0.2735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8486   -3.0497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -3.4414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0236    2.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054    3.4414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8486    2.6133    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    2.6200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  8  7  1  6      
  8  9  1  0      
  9  6  1  0      
 10 11  2  0      
 11 12  1  0      
 12  8  1  0      
 13 14  1  0      
 14 11  1  0      
 13 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 14  1  0      
 15 19  2  0      
 19 20  1  0      
 20 21  2  0      
 21 16  1  0      
  1 22  1  0      
  3 23  1  0      
  4 24  1  0      
 21 25  1  0      
 25 26  1  0      
 25 27  1  0      
 25 28  1  0      
M  END
>  <Catalog Number> (1)
C6249

>  <Item Name> (1)
Sitagliptin

>  <Formula> (1)
C16H15F6N5O

>  <MolWeight> (1)
407.32

>  <CAS Number> (1)
486460-32-6

>  <Target> (1)
Proteases

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=C6249

$$$$

Untitled Document
  ChemDraw06161716232D
 15 14  0  0  0  0  0  0  0  0999 V2000
   -1.0848    1.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0848   -1.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895    0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8895   -0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0976   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766    1.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766   -1.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6910    0.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039    0.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7039   -0.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211   -0.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340    1.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340   -1.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0      
  4  2  1  0      
  5  3  1  0      
  6  4  1  0      
  6  5  1  0      
  7  1  1  0      
  8  2  1  0      
  3  9  1  6      
 10  4  2  0      
  5 11  1  1      
  6 12  1  1      
  3 13  1  1      
  5 14  1  6      
  6 15  1  6      
M  END
>  <Catalog Number> (1)
M1482

>  <Item Name> (1)
D-(?)-Fructose

>  <Formula> (1)
C6H12O6

>  <MolWeight> (1)
180.16

>  <CAS Number> (1)
57-48-7

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=M1482

$$$$

Untitled Document
  ChemDraw03032016432D
 25 27  0  0  1  0  0  0  0  0999 V2000
   -1.7862    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  3  7  1  1      
  8  7  1  1      
  8  9  1  0      
  9 10  1  6      
  8 11  1  0      
 11 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14  9  1  0      
 13 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 14 18  1  6      
  6 19  1  6      
  2 20  1  6      
  1 21  1  1      
  5 22  1  1      
 22 23  1  0      
 10 24  2  0      
 15 25  2  0      
M  END
>  <Catalog Number> (1)
N1314

>  <Item Name> (1)
Sweroside

>  <Formula> (1)
C16H22O9

>  <MolWeight> (1)
358.3

>  <CAS Number> (1)
14215-86-2

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1314

$$$$

Untitled Document
  ChemDraw03172011302D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 30 32 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O -1.431954 -0.411181 0.000000 0
M  V30 2 C -1.428942 0.413814 0.000000 0
M  V30 3 C -2.141902 0.828920 0.000000 0
M  V30 4 O -2.857875 0.419031 0.000000 0
M  V30 5 C -2.138891 1.653914 0.000000 0
M  V30 6 O -2.851851 2.069020 0.000000 0
M  V30 7 C -0.712970 0.823702 0.000000 0
M  V30 8 O -0.709958 1.648697 0.000000 0
M  V30 9 C -1.422918 2.063803 0.000000 0
M  V30 10 C -1.419906 2.888798 0.000000 0
M  V30 11 O -2.132866 3.303904 0.000000 0
M  V30 12 O -0.000010 0.408597 0.000000 0
M  V30 13 C -0.000010 -0.416404 0.000000 0
M  V30 14 O -0.714480 -0.828904 0.000000 0
M  V30 15 C -0.714480 -1.653904 0.000000 0
M  V30 16 C -0.000010 -2.066404 0.000000 0
M  V30 17 C 0.714462 -1.653904 0.000000 0
M  V30 18 C 0.714462 -0.828904 0.000000 0
M  V30 19 C 2.143403 -1.653904 0.000000 0
M  V30 20 C 2.143403 -0.828904 0.000000 0
M  V30 21 C 1.428933 -0.416404 0.000000 0
M  V30 22 C -0.000010 -2.891404 0.000000 0
M  V30 23 O 0.714462 -3.303904 0.000000 0
M  V30 24 O -0.714480 -3.303904 0.000000 0
M  V30 25 C -1.428952 -2.891404 0.000000 0
M  V30 26 H 0.714462 -2.478904 0.000000 0
M  V30 27 H 0.714462 -0.003903 0.000000 0
M  V30 28 C 1.428933 0.408597 0.000000 0
M  V30 29 O 2.857875 -0.416404 0.000000 0
M  V30 30 H -0.712970 -0.001298 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1 CFG=3
M  V30 2 1 2 3
M  V30 3 1 3 4 CFG=1
M  V30 4 1 3 5
M  V30 5 1 5 6 CFG=3
M  V30 6 1 2 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 5 9
M  V30 10 1 9 10 CFG=1
M  V30 11 1 10 11
M  V30 12 1 7 12
M  V30 13 1 13 12 CFG=1
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 19 1 18 13
M  V30 20 1 19 20
M  V30 21 1 20 21
M  V30 22 1 21 18
M  V30 23 1 16 22
M  V30 24 2 22 23
M  V30 25 1 22 24
M  V30 26 1 24 25
M  V30 27 1 17 19
M  V30 28 1 17 26 CFG=1
M  V30 29 1 18 27 CFG=1
M  V30 30 1 21 28 CFG=1
M  V30 31 1 20 29 CFG=1
M  V30 32 1 7 30 CFG=3
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(10 2 3 5 7 9 13 17 18 20 21)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
N1327

>  <Item Name> (1)
Loganin

>  <Formula> (1)
C17H26O10

>  <MolWeight> (1)
390.38

>  <CAS Number> (1)
18524-94-2

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1327

$$$$

Untitled Document
  ChemDraw02262014032D
 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.7036   -1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3093   -2.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846   -2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -0.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2732   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7706   -1.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010   -0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8067    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181    0.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2371    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0617    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4922    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0979    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732    2.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8428    1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5283    2.8256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649   -2.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903   -2.8256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5283   -1.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  4  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10  5  1  0      
  9 11  1  6      
 11 12  2  0      
 12 13  1  0      
 13 14  2  0      
 14 15  1  0      
 15 16  2  0      
 16 11  1  0      
 14 17  1  0      
  7 18  2  0      
  3 19  1  0      
  1 20  1  0      
M  END
>  <Catalog Number> (1)
N1370

>  <Item Name> (1)
Naringenin

>  <Formula> (1)
C15H12O5

>  <MolWeight> (1)
272.25

>  <CAS Number> (1)
480-41-1

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1370

$$$$

Untitled Document
  ChemDraw02212010342D
 22 22  0  0  0  0  0  0  0  0999 V2000
    0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8874   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0      
  1 14  1  0      
  2 17  1  0      
  2 21  1  0      
  3 18  1  0      
  4 19  1  0      
  5 14  2  0      
  6 12  1  0      
  6 20  2  0      
  7 20  1  0      
  8 20  1  0      
  9 10  1  0      
  9 11  1  0      
 10 12  1  0      
 13 14  1  0      
 13 15  1  0      
 13 16  2  0      
 15 18  2  0      
 17 16  1  0      
 19 17  2  0      
 18 19  1  0      
  3 22  1  0      
M  END
>  <Catalog Number> (1)
N1392

>  <Item Name> (1)
Leonurine hydrochloride

>  <Formula> (1)
C14H21N3O5 .HCl

>  <MolWeight> (1)
311.33

>  <CAS Number> (1)
24697-74-3

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1392

$$$$

Untitled Document
  ChemDraw03032010032D
 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4437   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2687    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4437   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0      
  1 13  1  0      
  2  8  1  0      
  3 14  1  0      
  4 14  2  0      
  5  7  2  0      
  5  9  1  0      
  5 11  1  0      
  8  6  2  0      
  6 10  1  0      
  7  8  1  0      
 10  9  2  0      
 11 12  2  0      
 12 14  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
M  END
>  <Catalog Number> (1)
N1393

>  <Item Name> (1)
3-Hydroxy-4-methoxycinnamic acid

>  <Formula> (1)
C10H10O4

>  <MolWeight> (1)
194.18

>  <CAS Number> (1)
537-73-5

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1393

$$$$

Untitled Document
  ChemDraw07031416182D
  9  9  0  0  0  0  0  0  0  0999 V2000
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   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
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0      
  6  2  2  0      
  2  9  1  0      
  3  8  1  0      
  5  4  2  0      
  4  6  1  0      
  4  8  1  0      
  7  5  1  0      
  7  9  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
M  END
>  <Catalog Number> (1)
N1651

>  <Item Name> (1)
Nicotinamide

>  <Formula> (1)
C6H6N2O

>  <MolWeight> (1)
122.13

>  <CAS Number> (1)
98-92-0

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1651

$$$$

Untitled Document
  ChemDraw07031416192D
 11 11  0  0  0  0  0  0  0  0999 V2000
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1      
  8  2  1  6      
  9  3  1  1      
  4 11  1  0      
  5  7  1  0      
  5 10  1  0      
  6  7  1  0      
  6  8  1  0      
  7 11  1  6      
  8  9  1  0      
  9 10  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
M  END
>  <Catalog Number> (1)
N1659

>  <Item Name> (1)
1-Deoxynojirimycin

>  <Formula> (1)
C6H13NO4

>  <MolWeight> (1)
163.17

>  <CAS Number> (1)
19130-96-2

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1659

$$$$

Untitled Document
  ChemDraw03162016542D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 2.230885 -1.377750 0.000000 0
M  V30 2 C -2.500648 -0.206250 0.000000 0
M  V30 3 C -2.500648 -1.031250 0.000000 0
M  V30 4 C -1.786177 -1.443750 0.000000 0
M  V30 5 C -1.071706 -1.031250 0.000000 0
M  V30 6 C -1.071706 -0.206250 0.000000 0
M  V30 7 C -1.786177 0.206250 0.000000 0
M  V30 8 C -0.357235 -1.443750 0.000000 0
M  V30 9 C 0.357235 -1.031250 0.000000 0
M  V30 10 C 0.357235 -0.206250 0.000000 0
M  V30 11 O -0.357235 0.206250 0.000000 0
M  V30 12 O 1.071706 -1.443750 0.000000 0
M  V30 13 C 1.786178 -0.206250 0.000000 0
M  V30 14 C 1.071706 0.206250 0.000000 0
M  V30 15 C 2.500648 0.206250 0.000000 0
M  V30 16 C 2.500648 1.031250 0.000000 0
M  V30 17 C 1.786178 1.443750 0.000000 0
M  V30 18 C 1.071706 1.031250 0.000000 0
M  V30 19 O -3.215119 0.206250 0.000000 0
M  V30 20 O -1.786177 -2.268750 0.000000 0
M  V30 21 O 3.215119 1.443750 0.000000 0
M  V30 22 O 1.786178 2.268750 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 3
M  V30 2 1 3 4
M  V30 3 2 4 5
M  V30 4 1 5 6
M  V30 5 2 6 7
M  V30 6 1 7 2
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 6
M  V30 12 1 9 12 CFG=1
M  V30 13 2 13 14
M  V30 14 1 10 14 CFG=3
M  V30 15 1 13 15
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 2 17 18
M  V30 19 1 18 14
M  V30 20 1 2 19
M  V30 21 1 4 20
M  V30 22 1 16 21
M  V30 23 1 17 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 9 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
N1692

>  <Item Name> (1)
(+)-Catechin hydrate

>  <Formula> (1)
C15H14O7

>  <MolWeight> (1)
308.28

>  <CAS Number> (1)
225937-10-0

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1692

$$$$

Untitled Document
  ChemDraw03162016062D
  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.143413 -0.825000 0.000000 0
M  V30 2 C -2.143413 -1.650000 0.000000 0
M  V30 3 C -1.428942 -2.062500 0.000000 0
M  V30 4 C -0.714471 -1.650000 0.000000 0
M  V30 5 C -0.714471 -0.825000 0.000000 0
M  V30 6 C -1.428942 -0.412500 0.000000 0
M  V30 7 C 0.000000 -2.062500 0.000000 0
M  V30 8 C 0.714471 -1.650000 0.000000 0
M  V30 9 N 0.714471 -0.825000 0.000000 0 CHG=1
M  V30 10 C 0.000000 -0.412500 0.000000 0
M  V30 11 C 1.428942 -0.412500 0.000000 0
M  V30 12 C 1.428942 0.412500 0.000000 0
M  V30 13 C 0.714471 0.825000 0.000000 0
M  V30 14 C 0.000000 0.412500 0.000000 0
M  V30 15 C 2.143413 0.825000 0.000000 0
M  V30 16 C 2.143413 1.650000 0.000000 0
M  V30 17 C 1.428942 2.062500 0.000000 0
M  V30 18 C 0.714471 1.650000 0.000000 0
M  V30 19 O -2.928035 -0.570061 0.000000 0
M  V30 20 C -3.412957 -1.237500 0.000000 0
M  V30 21 O -2.928035 -1.904939 0.000000 0
M  V30 22 O 2.928035 0.570061 0.000000 0
M  V30 23 C 3.412957 1.237500 0.000000 0
M  V30 24 O 2.928035 1.904939 0.000000 0
M  V30 25 Cl 1.795433 -1.377750 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 5
M  V30 12 1 9 11
M  V30 13 2 11 12
M  V30 14 1 12 13
M  V30 15 2 13 14
M  V30 16 1 14 10
M  V30 17 1 12 15
M  V30 18 2 15 16
M  V30 19 1 16 17
M  V30 20 2 17 18
M  V30 21 1 18 13
M  V30 22 1 1 19
M  V30 23 1 19 20
M  V30 24 1 20 21
M  V30 25 1 21 2
M  V30 26 1 15 22
M  V30 27 1 22 23
M  V30 28 1 23 24
M  V30 29 1 24 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <Catalog Number> (1)
N1701

>  <Item Name> (1)
Coptisine chloride

>  <Formula> (1)
C19H14NO4Cl

>  <MolWeight> (1)
355.77

>  <CAS Number> (1)
6020-18-4

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1701

$$$$

Untitled Document
  ChemDraw06111414352D
 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3572    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0      
  1  9  1  0      
  2 11  1  0      
  3 13  1  0      
  4 10  2  0      
  5 15  1  0      
  6 21  1  0      
  7  8  1  0      
  7 10  1  0      
  7 13  2  0      
  8 14  2  0      
  9 11  2  0      
  9 12  1  0      
 10 11  1  0      
 12 17  2  0      
 12 18  1  0      
 13 16  1  0      
 14 15  1  0      
 15 16  2  0      
 17 19  1  0      
 18 20  2  0      
 19 21  2  0      
 20 21  1  0      
M  END
>  <Catalog Number> (1)
N1719

>  <Item Name> (1)
Kaempferol

>  <Formula> (1)
C15H10O6

>  <MolWeight> (1)
286.24

>  <CAS Number> (1)
520-18-3

>  <Target> (1)
Apoptosis

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1719

$$$$

Untitled Document
  ChemDraw01312016172D
 43 47  0  0  1  0  0  0  0  0999 V2000
   -2.8578    2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288    2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433    3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433    4.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722    3.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    2.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -2.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -2.8874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -4.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -3.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  6  7  1  0      
  1  8  1  0      
  4  9  1  0      
  9 10  2  0      
 10 11  1  0      
 11 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14  9  1  0      
 12 15  1  0      
 15 16  2  0      
 16 17  1  0      
 17 18  2  0      
 18 13  1  0      
 11 19  2  0      
 15 20  1  0      
 17 21  1  0      
 10 22  1  0      
 23 22  1  1      
 23 24  1  0      
 24 25  1  0      
 25 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 23  1  0      
 25 29  1  1      
 27 30  1  1      
 24 31  1  6      
 26 32  1  6      
 30 33  1  0      
 34 33  1  1      
 34 35  1  0      
 35 36  1  0      
 36 37  1  0      
 37 38  1  0      
 38 39  1  0      
 39 34  1  0      
 38 40  1  6      
 36 41  1  6      
 35 42  1  6      
 37 43  1  1      
M  END
>  <Catalog Number> (1)
N1833

>  <Item Name> (1)
Rutin

>  <Formula> (1)
C27H30O16

>  <MolWeight> (1)
610.51

>  <CAS Number> (1)
153-18-4

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1833

$$$$

Untitled Document
  ChemDraw10151416202D
 27 28  0  0  0  0  0  0  0  0999 V2000
   -1.6499    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8874    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8874    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8874    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499    3.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -3.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8874   -2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  6  2  0      
  1 22  1  0      
  2  3  2  0      
  2 24  1  0      
  3  4  1  0      
  4  5  2  0      
  5  6  1  0      
  5  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9 10  1  0      
  9 11  2  0      
 10 12  2  0      
 12 13  1  0      
 12 14  1  0      
 13 15  2  0      
 15 16  1  0      
 16 17  1  0      
 16 21  2  0      
 17 18  2  0      
 18 19  1  0      
 19 20  2  0      
 19 25  1  0      
 20 21  1  0      
 20 26  1  0      
 22 23  1  0      
 26 27  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
M  END
>  <Catalog Number> (1)
N1839

>  <Item Name> (1)
Curcumin

>  <Formula> (1)
C21H20O6

>  <MolWeight> (1)
368.37

>  <CAS Number> (1)
458-37-7

>  <Target> (1)


>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1839

$$$$

Untitled Document
  ChemDraw02272010022D
 19 21  0  0  0  0  0  0  0  0999 V2000
    1.4247   -0.4269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7062    0.8321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8783    2.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8783   -2.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7227    0.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7227   -0.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7062   -0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1598    1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4495    2.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4330   -0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4495   -2.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598   -1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0      
  1 10  1  0      
  2  6  2  0      
  3 13  1  0      
  4 19  1  0      
  5  6  1  0      
  5  8  2  0      
  5 11  1  0      
  6  7  1  0      
  7  9  1  0      
  7 10  2  0      
  8 12  1  0      
  9 15  1  0      
  9 16  2  0      
 11 14  2  0      
 12 13  2  0      
 13 14  1  0      
 15 17  2  0      
 16 18  1  0      
 17 19  1  0      
 18 19  2  0      
M  END
>  <Catalog Number> (1)
N1862

>  <Item Name> (1)
Daidzein

>  <Formula> (1)
C15H10O4

>  <MolWeight> (1)
254.24

>  <CAS Number> (1)
486-66-8

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1862

$$$$

Untitled Document
  ChemDraw02202009442D
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.5005   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0      
  1 14  1  0      
 14  2  1  0      
  2 16  1  0      
 10  3  1  0      
 11  4  1  0      
 12  5  1  0      
  6 20  1  0      
  7 19  2  0      
  8 22  1  0      
  9 30  1  0      
 10 11  1  0      
 10 12  1  0      
 11 13  1  0      
 12 14  1  0      
 13 15  1  0      
 16 17  1  0      
 16 18  2  0      
 17 19  1  0      
 17 20  2  0      
 22 18  1  0      
 19 21  1  0      
 20 24  1  0      
 21 23  1  0      
 24 22  2  0      
 23 25  1  0      
 25 26  1  0      
 25 27  2  0      
 26 28  2  0      
 29 27  1  0      
 28 30  1  0      
 30 29  2  0      
 15 31  1  0      
M  END
>  <Catalog Number> (1)
N1876

>  <Item Name> (1)
Phloridzin

>  <Formula> (1)
C21H24O10

>  <MolWeight> (1)
436.41

>  <CAS Number> (1)
60-81-1

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N1876

$$$$

Untitled Document
  ChemDraw07221411592D
 35 38  0  0  0  0  0  0  0  0999 V2000
   -1.7942    0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7569   -2.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3659    1.1887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    3.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4858   -1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942   -1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1685   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942   -2.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4858   -2.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400   -2.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1685   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4485   -2.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4485   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869   -1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4858    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942   -0.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869   -0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4996   -1.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027   -1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027   -2.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0707   -3.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8262   -3.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1204    0.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8593    0.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0928    1.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8317    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272    2.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    2.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7569    2.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1      
  2 25  2  0      
 31  3  1  6      
 32  4  1  6      
  5 33  1  0      
  6  7  1  0      
  6  9  1  0      
  6 11  1  0      
  6 19  1  6      
  7  8  1  0      
  7 12  1  6      
  8 10  1  0      
  8 16  1  0      
  8 20  1  1      
  9 14  1  0      
  9 17  1  0      
  9 22  1  1      
 10 13  1  1      
 10 15  1  0      
 11 13  1  0      
 12 18  1  0      
 14 18  1  0      
 14 21  2  0      
 15 25  1  0      
 15 26  1  0      
 15 27  1  0      
 16 24  1  0      
 17 23  1  0      
 21 23  1  0      
 21 28  1  0      
 24 25  1  0      
 28 29  1  0      
 28 30  1  6      
 29 31  1  0      
 31 32  1  0      
 32 33  1  0      
 33 34  1  0      
 33 35  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
V   35 34
M  END
>  <Catalog Number> (1)
N2021

>  <Item Name> (1)
Alisol A

>  <Formula> (1)
C30H50O5

>  <MolWeight> (1)
490.7

>  <CAS Number> (1)
19885-10-0

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N2021

$$$$

Untitled Document
  ChemDraw07221413092D
 40 45  0  0  0  0  0  0  0  0999 V2000
   -0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0      
 22  1  1  0      
 20  2  1  0      
  2 28  1  0      
  3 17  1  0      
  4 18  1  0      
  5 19  1  0      
  6 23  2  0      
  7 32  1  0      
  8 31  2  0      
  9 36  1  0      
 10 40  1  0      
 12 11  1  0      
 11 13  1  0      
 17 11  2  0      
 12 14  2  0      
 13 16  1  0      
 13 18  2  0      
 14 19  1  0      
 23 14  1  0      
 15 16  2  0      
 15 20  1  0      
 15 24  1  0      
 21 17  1  0      
 18 25  1  0      
 19 21  2  0      
 30 20  2  0      
 26 22  2  0      
 22 29  1  0      
 23 26  1  0      
 24 25  2  0      
 28 27  1  0      
 31 27  1  0      
 27 32  2  0      
 28 33  2  0      
 29 34  1  0      
 29 35  2  0      
 31 30  1  0      
 32 37  1  0      
 36 33  1  0      
 34 38  2  0      
 39 35  1  0      
 37 36  2  0      
 38 40  1  0      
 40 39  2  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
V   35 34
V   36 35
V   37 36
V   38 37
V   39 38
V   40 39
M  END
>  <Catalog Number> (1)
N2268

>  <Item Name> (1)
Amentoflavone

>  <Formula> (1)
C30H18O10

>  <MolWeight> (1)
538.46

>  <CAS Number> (1)
1617-53-4

>  <Target> (1)
Natural Products

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=N2268

$$$$

Untitled Document
  ChemDraw07191709342D
  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.3838   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3838    0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    0.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394    1.3749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2738    1.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738   -1.3749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  2  0      
  3  5  1  0      
  1  6  1  0      
  6  7  1  0      
M  END
>  <Catalog Number> (1)
P10002

>  <Item Name> (1)
4-Aminobutyric acid

>  <Formula> (1)
C4H9NO2

>  <MolWeight> (1)
103.12

>  <CAS Number> (1)
56-12-2

>  <Target> (1)
Others

>  <URL> (1)
http://www.apexbt.com/search.php?catalog=P10002

$$$$

Untitled Document
  ChemDraw07031410442D
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.6063   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316    2.0462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316    0.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189    1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4147    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6063    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1188    1.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189    2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274    1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6063   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8189   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105   -2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8189   -2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0316   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0      
  1 11  1  0      
  2 10  1  0      
  3 10  2  0      
  4  5  1  0      
  4  7  1  0      
  4  8  1  0      
  4 10  1  0      
  5  6  1  0      
  6  9  1  0      
 11 12  1  0      
 11 13  2  0      
 12 15  2  0      
 12 17  1  0      
 14 13  1  0      
 16 14  2  0      
 14 18  1  0      
 15 16  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
M  END
>  <Catalog Number> (1)
P10040

>  <Item Name> (1)
Gemfibrozil (Lopid)

>  <Formula> (1)
C15H22O3

>  <MolWeight> (1)
250.33

>  <CAS Number> (1)
25812-30-0

>  <Target> (1)


>  <URL> (1)
http://www.apexbt.com/search.php?catalog=P10040

$$$$

Untitled Document
  ChemDraw02272013372D
 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.1825   -0.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5332   -2.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    2.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536    2.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -1.5978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536    0.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556   -2.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8006   -2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806   -2.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3881   -3.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243   -2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1356   -2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -2.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9201   -1.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392    1.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3899    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    2.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3899    3.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0      
  2 16  2  0      
  3 16  1  0      
  4 21  1  0      
  4 26  1  0      
  5 21  2  0      
  6  9  1  0      
  6 13  1  0      
  6 15  1  0      
 17  7  1  0      
 19  7  1  6      
  8  9  1  0      
  8 10  1  1      
  8 11  1  0      
  9 12  1  1      
 10 13  1  0      
 11 14  1  0      
 12 14  1  0      
 13 16  1  1      
 15 17  1  0      
 17 18  1  1      
 19 20  1  0      
 19 21  1  0      
 20 22  1  0      
 22 23  1  0      
 23 24  1  0      
 23 25  2  0      
 24 27  2  0      
 28 25  1  0      
 26 29  1  0      
 27 30  1  0      
 30 28  2  0      
M  END
>  <Catalog Number> (1)
P10101

>  <Item Name> (1)
Ramipril (Altace)

>  <Formula> (1)
C23H32N2O5

>  <MolWeight> (1)
416.51

>  <CAS Number> (1)
87333-19-5

>  <Target> (1)


>  <URL> (1)
http://www.apexbt.com/search.php?catalog=P10101

$$$$

