Capecitabine.cdx
csChFnd80/06042114042D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.6995    3.5073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
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 13 15  1  6  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
 18 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1)
96

>  <Formula> (1)
C15H22FN3O6

>  <MolWeight> (1)
359.3500832

>  <Cat> (1)
S1156

>  <Name> (1)
Capecitabine (Xeloda)

>  <Synonyms> (1)
Captabin 

>  <Target> (1)
DNA/RNA Synthesis

>  <Form> (1)
Free Base

>  <CAS> (1)
154361-50-9

>  <URL> (1)
http://www.selleckchem.com/products/Capecitabine(Xeloda).html

$$$$
Cladribine.cdx
csChFnd80/06042114042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.7109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0382    1.5690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0281    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2755    1.2147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0565    2.5974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.0430    3.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    3.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5186    0.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  2 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 12  1  0  0  0  0
 15 17  1  6  0  0  0
 17 18  1  0  0  0  0
 14 19  1  1  0  0  0
 12  9  1  6  0  0  0
M  END
>  <Mol_ID> (2)
122

>  <Formula> (2)
C10H12ClN5O3

>  <MolWeight> (2)
285.68698

>  <Cat> (2)
S1199

>  <Name> (2)
Cladribine

>  <Synonyms> (2)
Leustatin

>  <Target> (2)
DNA/RNA Synthesis

>  <Form> (2)
Free Base

>  <CAS> (2)
4291-63-8

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

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/06042114042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8601    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9786    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2856    1.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6036    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    4.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4726    5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1656    6.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    5.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    6.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    6.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  4  8  1  6  0  0  0
  1  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (3)
123

>  <Formula> (3)
C8H12N4O4

>  <MolWeight> (3)
228.20528

>  <Cat> (3)
S1200

>  <Name> (3)
Decitabine

>  <Synonyms> (3)
Dacogen

>  <Target> (3)
DNA/RNA Synthesis

>  <Form> (3)
Free Base

>  <CAS> (3)
2353-33-5

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

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/06042114042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  2  0  0  0  0
  1  9  2  0  0  0  0
M  END
>  <Mol_ID> (4)
127

>  <Formula> (4)
C4H3FN2O2

>  <MolWeight> (4)
130.0772232

>  <Cat> (4)
S1209

>  <Name> (4)
Adrucil (Fluorouracil)

>  <Synonyms> (4)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (4)
DNA/RNA Synthesis

>  <Form> (4)
Free Base

>  <CAS> (4)
51-21-8

>  <URL> (4)
http://www.selleckchem.com/products/Adrucil(Fluorouracil).html

$$$$
Arranon (Nelarabine).cdx
csChFnd80/06042114042D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4598    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9251    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3557    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9634    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    4.1457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8640    2.8667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2563    3.0131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5474    4.3825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3349    5.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263    4.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1640    1.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1931    1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8996    6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 13  7  1  6  0  0  0
 16 18  1  6  0  0  0
 14 19  1  6  0  0  0
 15 20  1  1  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (5)
130

>  <Formula> (5)
C11H15N5O5

>  <MolWeight> (5)
297.2673

>  <Cat> (5)
S1213

>  <Name> (5)
Nelarabine (Arranon)

>  <Synonyms> (5)
Arranon

>  <Target> (5)
DNA/RNA Synthesis 

>  <Form> (5)
Free Base

>  <CAS> (5)
121032-29-9

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

$$$$
Clofarabine.cdx
csChFnd80/06042114042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    6.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.1842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6540    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5728    2.4595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3957    1.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7272    1.7595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7272    3.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    2.4595    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1304    1.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  2 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 12  7  1  6  0  0  0
 13 17  1  6  0  0  0
 15 18  1  6  0  0  0
 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (6)
131

>  <Formula> (6)
C10H11ClFN5O3

>  <MolWeight> (6)
303.6774432

>  <Cat> (6)
S1218

>  <Name> (6)
Clofarabine

>  <Synonyms> (6)
Clolar, Evoltra

>  <Target> (6)
DNA/RNA Synthesis

>  <Form> (6)
Free Base

>  <CAS> (6)
123318-82-1

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

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/06042114042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (7)
138

>  <Formula> (7)
C10H13FN5O7P

>  <MolWeight> (7)
365.2116842

>  <Cat> (7)
S1229

>  <Name> (7)
Fludarabine Phosphate (Fludara)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
DNA/RNA Synthesis

>  <Form> (7)
Phosphate

>  <CAS> (7)
75607-67-9

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

$$$$
Hydroxyurea.cdx
csChFnd80/06042114042D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (8)
185

>  <Formula> (8)
CH4N2O2

>  <MolWeight> (8)
76.05466

>  <Cat> (8)
S1896

>  <Name> (8)
Hydroxyurea (Cytodrox)

>  <Synonyms> (8)
Hydrea, Biosupressin

>  <Target> (8)
DNA/RNA Synthesis

>  <Form> (8)
Free Base

>  <CAS> (8)
127-07-1

>  <URL> (8)
http://www.selleckchem.com/products/Hydroxyurea(Cytodrox).html

$$$$
Vitamin B12.cdx
csChFnd80/06042114042D

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   10.5530   16.2838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (9)
189

>  <Formula> (9)
C63H88CoN14O14P

>  <MolWeight> (9)
1355.365181

>  <Cat> (9)
S1902

>  <Name> (9)
Vitamin B12

>  <Synonyms> (9)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (9)
Vitamin

>  <Form> (9)
Free Base

>  <CAS> (9)
68-19-9

>  <URL> (9)
http://www.selleckchem.com/products/Vitamin-B12.html

$$$$
Cilostazol.cdx
csChFnd80/06042114042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   15.5231    4.1611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5863    5.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4169    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0854    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3361    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6676    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7080    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (10)
203

>  <Formula> (10)
C20H27N5O2

>  <MolWeight> (10)
369.46068

>  <Cat> (10)
S1294

>  <Name> (10)
Cilostazol

>  <Synonyms> (10)
Pletal

>  <Target> (10)
PDE

>  <Form> (10)
Free Base

>  <CAS> (10)
73963-72-1

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

$$$$
Floxuridine.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.4963    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7963    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1963    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9558    2.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9962    1.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3276    2.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6187    3.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5783    4.6933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2468    4.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2100    5.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3644    1.4536    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9456    4.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
  2  7  1  1  0  0  0
  7  8  1  0  0  0  0
  3  9  1  6  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
 14 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (11)
205

>  <Formula> (11)
C9H11FN2O5

>  <MolWeight> (11)
246.1924432

>  <Cat> (11)
S1299

>  <Name> (11)
Floxuridine

>  <Synonyms> (11)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (11)
DNA/RNA Synthesis

>  <Form> (11)
Free Base

>  <CAS> (11)
50-91-9

>  <URL> (11)
http://www.selleckchem.com/products/Floxuridine.html

$$$$
Ftorafur.cdx
csChFnd80/06042114042D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.6406    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063    2.1982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4342    1.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3557    0.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938    1.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  2  9  2  0  0  0  0
 10  3  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (12)
206

>  <Formula> (12)
C8H9FN2O3

>  <MolWeight> (12)
200.1670632

>  <Cat> (12)
S1300

>  <Name> (12)
Tegafur (FT-207, NSC 148958)

>  <Synonyms> (12)
N/A

>  <Target> (12)
DNA/RNA Synthesis

>  <Form> (12)
Free Base

>  <CAS> (12)
17902-23-7

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

$$$$
Fludarabine.cdx
csChFnd80/06042114042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.6550    3.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    1.3647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1707    1.9341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0244    3.3264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0611    4.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1938    6.2217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    5.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    2.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    2.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2306    3.9689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2281    6.3895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2281    1.5482    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5675    2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
  5  6  1  1  0  0  0
  2 17  1  1  0  0  0
  4 18  1  1  0  0  0
 17 19  1  0  0  0  0
  3 20  1  6  0  0  0
M  END
>  <Mol_ID> (13)
309

>  <Formula> (13)
C10H12FN5O4

>  <MolWeight> (13)
285.2317832

>  <Cat> (13)
S1491

>  <Name> (13)
Fludarabine (Fludara)

>  <Synonyms> (13)
F-ara-A, NSC 118218 

>  <Target> (13)
STAT, DNA/RNA Synthesis

>  <Form> (13)
Free Base

>  <CAS> (13)
21679-14-1

>  <URL> (13)
http://www.selleckchem.com/products/Fludarabine(Fludara).html

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/06042114042D

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2535    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4617    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
  7 13  2  0  0  0  0
  3 14  1  0  0  0  0
  6 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (14)
311

>  <Formula> (14)
C23H31NO7

>  <MolWeight> (14)
433.49474

>  <Cat> (14)
S1501

>  <Name> (14)
Mycophenolate mofetil (CellCept)

>  <Synonyms> (14)
CellCept, RS 61443, TM-MMF

>  <Target> (14)
Dehydrogenase

>  <Form> (14)
Free Base

>  <CAS> (14)
128794-94-5

>  <URL> (14)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

$$$$
2-Thiouracil.cdx
csChFnd80/06042114042D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  8  1  0  0  0  0
M  END
>  <Mol_ID> (15)
329

>  <Formula> (15)
C4H4N2OS

>  <MolWeight> (15)
128.15236

>  <Cat> (15)
S3100

>  <Name> (15)
2-Thiouracil

>  <Synonyms> (15)
N/A 

>  <Target> (15)
Others

>  <Form> (15)
Free Base

>  <CAS> (15)
141-90-2

>  <URL> (15)
http://www.selleckchem.com/products/2-thiouracil.html

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/06042114042D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (16)
380

>  <Formula> (16)
C5H4N4O

>  <MolWeight> (16)
136.11146

>  <Cat> (16)
S1630

>  <Name> (16)
Allopurinol (Zyloprim)

>  <Synonyms> (16)
Aloprim

>  <Target> (16)
Others

>  <Form> (16)
Free Base

>  <CAS> (16)
315-30-0

>  <URL> (16)
http://www.selleckchem.com/products/Allopurinol(Zyloprim).html

$$$$
Adenosine.cdx
csChFnd80/06042114042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6157    3.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    2.7240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6943    1.3546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0866    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6561    2.4872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1287    3.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    2.7773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608    0.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7842    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3730    3.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4463    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393    5.0394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2582    3.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471    2.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7946    3.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8678    4.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6937    5.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    6.5665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  1  0  0  0
  5  7  1  1  0  0  0
  3  8  1  6  0  0  0
  4  9  1  6  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (17)
389

>  <Formula> (17)
C10H13N5O4

>  <MolWeight> (17)
267.24132

>  <Cat> (17)
S1647

>  <Name> (17)
Adenosine (Adenocard)

>  <Synonyms> (17)
Adenocard

>  <Target> (17)
Others

>  <Form> (17)
Free Base

>  <CAS> (17)
58-61-7

>  <URL> (17)
http://www.selleckchem.com/products/Adenosine(Adenocard).html

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3376    4.3937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    5.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.3180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9015    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2996    1.0842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6619    2.4365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4878    3.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0486    2.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 10  5  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (18)
394

>  <Formula> (18)
C10H14N2O5

>  <MolWeight> (18)
242.22856

>  <Cat> (18)
S1651

>  <Name> (18)
Telbivudine (Sebivo, Tyzeka)

>  <Synonyms> (18)
N/A

>  <Target> (18)
Reverse Transcriptase

>  <Form> (18)
Free Base

>  <CAS> (18)
3424-98-4

>  <URL> (18)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/06042114042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (19)
402

>  <Formula> (19)
C4H4FN3O

>  <MolWeight> (19)
129.0924632

>  <Cat> (19)
S1666

>  <Name> (19)
Flucytosine (Ancobon)

>  <Synonyms> (19)
5-fluorocytosine, Ancotil

>  <Target> (19)
Antifection

>  <Form> (19)
Free Base

>  <CAS> (19)
2022-85-7

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

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/06042114042D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    5.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    4.5523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    5.5899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9  5  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (20)
417

>  <Formula> (20)
C9H11F2N3O4

>  <MolWeight> (20)
263.1981464

>  <Cat> (20)
S1714

>  <Name> (20)
Gemcitabine (Gemzar)

>  <Synonyms> (20)
Gemzar

>  <Target> (20)
Autophagy,DNA/RNA Synthesis

>  <Form> (20)
Free Base

>  <CAS> (20)
95058-81-4 

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

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/06042114042D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4032    4.1388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    3.4388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    4.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    4.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4846    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    0.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1475    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  2  0  0  0  0
  4  8  1  1  0  0  0
M  END
>  <Mol_ID> (21)
421

>  <Formula> (21)
C10H12N4O3

>  <MolWeight> (21)
236.22728

>  <Cat> (21)
S1702

>  <Name> (21)
Didanosine (Videx)

>  <Synonyms> (21)
Videx EC 

>  <Target> (21)
NULL

>  <Form> (21)
Free Base

>  <CAS> (21)
69655-05-6

>  <URL> (21)
http://www.selleckchem.com/products/Didanosine(Videx).html

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/06042114042D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    4.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9  5  1  6  0  0  0
 11 14  1  6  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (22)
424

>  <Formula> (22)
C8H11N3O3S

>  <MolWeight> (22)
229.25624

>  <Cat> (22)
S1706

>  <Name> (22)
Lamivudine (Epivir)

>  <Synonyms> (22)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (22)
Reverse Transcriptase

>  <Form> (22)
Free Base

>  <CAS> (22)
134678-17-4

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

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/06042114042D

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    9.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    6.9702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    9.0702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    9.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    9.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    7.2376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    5.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436    5.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4518    5.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600    5.8351    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.0600    5.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668   11.1653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600    7.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600    4.4351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2725    6.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4849    5.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8849    5.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8748    4.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5137    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0873    5.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8648    3.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4188    7.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600    3.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8682    2.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2682    2.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2582    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8021    3.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6058    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8971    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2481    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (23)
431

>  <Formula> (23)
C20H32N5O8P

>  <MolWeight> (23)
501.470541

>  <Cat> (23)
S1718

>  <Name> (23)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Synonyms> (23)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (23)
Reverse Transcriptase

>  <Form> (23)
Free Base

>  <CAS> (23)
142340-99-6

>  <URL> (23)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

$$$$
HIVID (zalcitabine).cdx
csChFnd80/06042114042D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.1207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    1.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    2.4207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    3.5533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0527    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7527    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0527    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9552    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1479    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  4  7  1  1  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (24)
432

>  <Formula> (24)
C9H13N3O3

>  <MolWeight> (24)
211.21782

>  <Cat> (24)
S1719

>  <Name> (24)
Zalcitabine

>  <Synonyms> (24)
Hivid, Dideoxycytidine 

>  <Target> (24)
Reverse Transcriptase

>  <Form> (24)
Free Base

>  <CAS> (24)
7481-89-2

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

$$$$
IMURAN (azathioprine).cdx
csChFnd80/06042114042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    7.2210    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4377    6.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    8.5904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6467    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 12 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (25)
433

>  <Formula> (25)
C9H7N7O2S

>  <MolWeight> (25)
277.26258

>  <Cat> (25)
S1721

>  <Name> (25)
Azathioprine (Azasan, Imuran)

>  <Synonyms> (25)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (25)
Rho

>  <Form> (25)
Free Base

>  <CAS> (25)
446-86-6

>  <URL> (25)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/06042114042D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    6.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    6.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <Mol_ID> (26)
445

>  <Formula> (26)
C15H14N4O

>  <MolWeight> (26)
266.29786

>  <Cat> (26)
S1742

>  <Name> (26)
Nevirapine (Viramune)

>  <Synonyms> (26)
Viramune, BI-RG 587

>  <Target> (26)
Reverse Transcriptase

>  <Form> (26)
Free Base

>  <CAS> (26)
129618-40-2

>  <URL> (26)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/06042114042D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (27)
455

>  <Formula> (27)
C5H5N5S

>  <MolWeight> (27)
167.1917

>  <Cat> (27)
S1774

>  <Name> (27)
Thioguanine

>  <Synonyms> (27)
6-Thioguanine

>  <Target> (27)
Others

>  <Form> (27)
Free Base

>  <CAS> (27)
154-42-7

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

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/06042114042D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.7782    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.1758    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2880    2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.1287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1207    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5533    2.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3282    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 13  1  0  0  0  0
 15 18  1  1  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 13  3  1  6  0  0  0
M  END
>  <Mol_ID> (28)
458

>  <Formula> (28)
C10H11F3N2O5

>  <MolWeight> (28)
296.1999496

>  <Cat> (28)
S1778

>  <Name> (28)
Trifluridine (Viroptic)

>  <Synonyms> (28)
Viroptic, Trifluorothymidine

>  <Target> (28)
NULL

>  <Form> (28)
Free Base

>  <CAS> (28)
70-00-8

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (29)
459

>  <Formula> (29)
C8H12N4O5

>  <MolWeight> (29)
244.20468

>  <Cat> (29)
S1782

>  <Name> (29)
Azacitidine (Vidaza)

>  <Synonyms> (29)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (29)
DNA/RNA Synthesis

>  <Form> (29)
Free Base

>  <CAS> (29)
320-67-2

>  <URL> (29)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/06042114042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (30)
460

>  <Formula> (30)
C10H13N5O4

>  <MolWeight> (30)
267.24132

>  <Cat> (30)
S1784

>  <Name> (30)
Vidarabine (Vira-A)

>  <Synonyms> (30)
Vira-A

>  <Target> (30)
5-alpha Reductase 

>  <Form> (30)
Free Base

>  <CAS> (30)
5536-17-4

>  <URL> (30)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
Acyclovir.cdx
csChFnd80/06042114042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    2.3673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5575    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (31)
469

>  <Formula> (31)
C8H11N5O3

>  <MolWeight> (31)
225.20464

>  <Cat> (31)
S1807

>  <Name> (31)
Acyclovir (Aciclovir)

>  <Synonyms> (31)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (31)
Antifection

>  <Form> (31)
Free Base

>  <CAS> (31)
59277-89-3 

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

$$$$
Methylthiouracil.cdx
csChFnd80/06042114042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (32)
481

>  <Formula> (32)
C5H6N2OS

>  <MolWeight> (32)
142.17894

>  <Cat> (32)
S3138

>  <Name> (32)
Methylthiouracil

>  <Synonyms> (32)
N/A

>  <Target> (32)
Others

>  <Form> (32)
Free Base

>  <CAS> (32)
20547

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

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/06042114042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (33)
495

>  <Formula> (33)
C7H10N2OS

>  <MolWeight> (33)
170.2321

>  <Cat> (33)
S1988

>  <Name> (33)
Propylthiouracil

>  <Synonyms> (33)
6-n-Propylthiouracil

>  <Target> (33)
Others

>  <Form> (33)
Free Base

>  <CAS> (33)
51-52-5

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

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/06042114042D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    6.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    2.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    3.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    3.2424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4558    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    1.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    1.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  6  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (34)
540

>  <Formula> (34)
C13H21ClN6O4

>  <MolWeight> (34)
360.79664

>  <Cat> (34)
S1876

>  <Name> (34)
Valaciclovir HCl

>  <Synonyms> (34)
N/A

>  <Target> (34)
Antifection

>  <Form> (34)
Hydrochloride

>  <CAS> (34)
124832-27-5 

>  <URL> (34)
http://www.selleckchem.com/products/valaciclovir-hcl.html

$$$$
3-Methyladenine.cdx
csChFnd80/06042114042D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (35)
562

>  <Formula> (35)
C6H7N5

>  <MolWeight> (35)
149.15328

>  <Cat> (35)
S2767

>  <Name> (35)
3-Methyladenine (3-MA)

>  <Synonyms> (35)
3-MA

>  <Target> (35)
PI3K

>  <Form> (35)
Free Base

>  <CAS> (35)
5142-23-4

>  <URL> (35)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
Kinetin.cdx
csChFnd80/06042114042D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (36)
738

>  <Formula> (36)
C10H9N5O

>  <MolWeight> (36)
215.21136

>  <Cat> (36)
S2316

>  <Name> (36)
Kinetin (6-Furfuryladenine)

>  <Synonyms> (36)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (36)
Others

>  <Form> (36)
Free Base

>  <CAS> (36)
525-79-1

>  <URL> (36)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

$$$$
Famciclovir.cdx
csChFnd80/06042114042D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    0.1275    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
786

>  <Formula> (37)
C14H19N5O4

>  <MolWeight> (37)
321.33176

>  <Cat> (37)
S2467

>  <Name> (37)
Famciclovir (Famvir)

>  <Synonyms> (37)
Famvir

>  <Target> (37)
Antifection

>  <Form> (37)
Free Base

>  <CAS> (37)
104227-87-4

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

$$$$
Ribavirin.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (38)
815

>  <Formula> (38)
C8H12N4O5

>  <MolWeight> (38)
244.20468

>  <Cat> (38)
S2504

>  <Name> (38)
Ribavirin (Copegus)

>  <Synonyms> (38)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (38)
Antifection

>  <Form> (38)
Free Base

>  <CAS> (38)
36791-04-5

>  <URL> (38)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

$$$$
Ganciclovir.cdx
csChFnd80/06042114042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
980

>  <Formula> (39)
C9H13N5O4

>  <MolWeight> (39)
255.23062

>  <Cat> (39)
S1878

>  <Name> (39)
Ganciclovir

>  <Synonyms> (39)
Cytovene

>  <Target> (39)
Antifection

>  <Form> (39)
Free Base

>  <CAS> (39)
82410-32-0

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

$$$$
Uridine.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    6.8440    1.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (40)
983

>  <Formula> (40)
C9H12N2O6

>  <MolWeight> (40)
244.20138

>  <Cat> (40)
S2029

>  <Name> (40)
Uridine

>  <Synonyms> (40)
N/A

>  <Target> (40)
DNA/RNA Synthesis

>  <Form> (40)
Free Base

>  <CAS> (40)
58-96-8

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

$$$$
Zidovudine.cdx
csChFnd80/06042114042D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    2.4207   11.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  1  0  0  0
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M  END
>  <Mol_ID> (41)
1000

>  <Formula> (41)
C10H13N5O4

>  <MolWeight> (41)
267.24132

>  <Cat> (41)
S2579

>  <Name> (41)
Zidovudine (Retrovir)

>  <Synonyms> (41)
azidothymidine

>  <Target> (41)
Reverse Transcriptase

>  <Form> (41)
Free Base

>  <CAS> (41)
30516-87-1

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

$$$$
Cytidine.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (42)
1015

>  <Formula> (42)
C9H13N3O5

>  <MolWeight> (42)
243.21662

>  <Cat> (42)
S2053

>  <Name> (42)
Cytidine

>  <Synonyms> (42)
N/A

>  <Target> (42)
Others

>  <Form> (42)
Free Base

>  <CAS> (42)
65-46-3

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

$$$$
Doxifluridine.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    6.1203    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    4.6637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.4446    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509    6.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    7.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
 10  5  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  1  0  0  0
 14 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (43)
1016

>  <Formula> (43)
C9H11FN2O5

>  <MolWeight> (43)
246.1924432

>  <Cat> (43)
S2045

>  <Name> (43)
Doxifluridine

>  <Synonyms> (43)
N/A

>  <Target> (43)
Phosphorylase

>  <Form> (43)
Free Base

>  <CAS> (43)
436349

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

$$$$
Entecavir hydrate.cdx
csChFnd80/06042114042D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    7.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    6.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.1842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5728    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    1.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7272    1.7595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.1304    1.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4994    5.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 17  2  0  0  0  0
 14 18  1  1  0  0  0
 15 19  1  6  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (44)
1027

>  <Formula> (44)
C12H17N5O4

>  <MolWeight> (44)
295.29448

>  <Cat> (44)
S1252

>  <Name> (44)
Entecavir hydrate

>  <Synonyms> (44)
Baraclude 

>  <Target> (44)
Reverse Transcriptase

>  <Form> (44)
Hydrate

>  <CAS> (44)
209216-23-9

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

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8287    5.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    4.5919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    3.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2535    4.5919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2535    5.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8387    3.6020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4743    2.3545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8571    2.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4864    3.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131    1.8415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7202    1.3398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4660    6.6919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    1.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1092    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
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  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
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 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 12 16  1  6  0  0  0
M  END
>  <Mol_ID> (45)
1084

>  <Formula> (45)
C9H12ClN3O4

>  <MolWeight> (45)
261.66228

>  <Cat> (45)
S1973

>  <Name> (45)
Cyclocytidine HCl

>  <Synonyms> (45)
N/A 

>  <Target> (45)
DNA/RNA Synthesis

>  <Form> (45)
Hydrochloride

>  <CAS> (45)
10212-25-6

>  <URL> (45)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

$$$$
Inosine.cdx
csChFnd80/06042114042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7495    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8822    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3954    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5280    2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628    2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7954    5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    6.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    6.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9954    5.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1905    5.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  6  0  0  0
  4  7  1  6  0  0  0
  2  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  5 14  1  1  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (46)
1099

>  <Formula> (46)
C10H12N4O5

>  <MolWeight> (46)
268.22608

>  <Cat> (46)
S2442

>  <Name> (46)
Inosine

>  <Synonyms> (46)
N/A

>  <Target> (46)
Others

>  <Form> (46)
Free Base

>  <CAS> (46)
58-63-9

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

$$$$
etravirine (TMC125).cdx
csChFnd80/06042114042D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.7494    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5389    6.9684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3120    9.0623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3120    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7494    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5389    9.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    6.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    5.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    4.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213    4.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0525    6.9684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9434    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213    3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5389   11.1560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    9.7984    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479    9.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6479    6.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    5.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3808    5.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  7  1  1  0  0  0  0
  4  2  2  0  0  0  0
  3  6  2  0  0  0  0
  4  3  1  0  0  0  0
 13  4  1  0  0  0  0
  6  5  1  0  0  0  0
 20  5  1  0  0  0  0
 19  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 18  9  2  0  0  0  0
 27  9  1  0  0  0  0
 17 10  1  0  0  0  0
 28 10  1  0  0  0  0
 11 14  3  0  0  0  0
 12 15  3  0  0  0  0
 22 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 18 16  1  0  0  0  0
 21 24  2  0  0  0  0
 23 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (47)
1111

>  <Formula> (47)
C20H15BrN6O

>  <MolWeight> (47)
435.2767

>  <Cat> (47)
S3080

>  <Name> (47)
Etravirine (TMC125)

>  <Synonyms> (47)
N/A

>  <Target> (47)
Reverse Transcriptase

>  <Form> (47)
Free Base

>  <CAS> (47)
269055-15-4

>  <URL> (47)
http://www.selleckchem.com/products/etravirine-tmc125.html

$$$$
Guanosine.cdx
csChFnd80/06042114042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.6199    4.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    2.8755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0358    4.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119    5.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8898    2.4260    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3397    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4692    2.9113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7477    5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6199    6.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482    3.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761    1.1295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0358    6.6540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1477    5.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    7.8709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6308    2.4419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0761    1.1295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2954    0.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022    2.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (48)
1118

>  <Formula> (48)
C10H13N5O5

>  <MolWeight> (48)
283.24072

>  <Cat> (48)
S2439

>  <Name> (48)
Guanosine

>  <Synonyms> (48)
N/A

>  <Target> (48)
Others

>  <Form> (48)
Free base

>  <CAS> (48)
118-00-3

>  <URL> (48)
http://www.selleckchem.com/products/guanosine.html

$$$$
Dapivirine.cdx
csChFnd80/06042114042D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.9000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  9  2  1  0  0  0  0
 11  2  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
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  5  4  1  0  0  0  0
 14  4  2  0  0  0  0
 12  6  2  0  0  0  0
 24  6  1  0  0  0  0
 13  7  1  0  0  0  0
 23  7  1  0  0  0  0
  8 10  3  0  0  0  0
 18  9  2  0  0  0  0
 10 16  1  0  0  0  0
 17 11  1  0  0  0  0
 12 15  1  0  0  0  0
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 25 15  1  0  0  0  0
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 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (49)
1156

>  <Formula> (49)
C20H19N5

>  <MolWeight> (49)
329.39836

>  <Cat> (49)
S2914

>  <Name> (49)
Dapivirine (TMC120)

>  <Synonyms> (49)
N/A

>  <Target> (49)
Reverse Transcriptase

>  <Form> (49)
Free Base

>  <CAS> (49)
244767-67-7

>  <URL> (49)
http://www.selleckchem.com/products/dapivirine.html

$$$$
Clevudine.cdx
csChFnd80/06042114042D

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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1203    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    4.6637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4446    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
 10  5  1  6  0  0  0
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M  END
>  <Mol_ID> (50)
1231

>  <Formula> (50)
C10H13FN2O5

>  <MolWeight> (50)
260.2190232

>  <Cat> (50)
S3001

>  <Name> (50)
Clevudine (Levovir)

>  <Synonyms> (50)
N/A

>  <Target> (50)
Others

>  <Form> (50)
Free Base

>  <CAS> (50)
163252-36-6

>  <URL> (50)
http://www.selleckchem.com/products/clevudine-levovir.html

$$$$
N6-methyladenosine.cdx
csChFnd80/06042114042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.3568    5.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6814    1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0855    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2980    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (51)
1246

>  <Formula> (51)
C11H15N5O4

>  <MolWeight> (51)
281.2679

>  <Cat> (51)
S3190

>  <Name> (51)
N6-methyladenosine (m6A)

>  <Synonyms> (51)
NSC-29409

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <CAS> (51)
1867-73-8

>  <URL> (51)
http://www.selleckchem.com/products/n6-methyladenosine.html

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/06042114042D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.6095   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6095    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8219    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8219   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780   10.9253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780    8.6601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8219   12.5879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780    7.2601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0656    7.9601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4550    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0302    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0302    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  6 10  1  0  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 15 11  1  0  0  0  0
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 23 24  1  0  0  0  0
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 29 24  1  0  0  0  0
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 14 35  1  6  0  0  0
 15 36  1  6  0  0  0
M  END
>  <Mol_ID> (52)
1247

>  <Formula> (52)
C23H30ClN7O6

>  <MolWeight> (52)
535.9806

>  <Cat> (52)
S2153

>  <Name> (52)
CGS 21680 HCl

>  <Synonyms> (52)
N/A

>  <Target> (52)
5-alpha Reductase

>  <Form> (52)
Hydrochloride

>  <CAS> (52)
124431-80-7

>  <URL> (52)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

$$$$
aicar.cdx
csChFnd80/06042114042D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.8045    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.6371    2.4641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.9686    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8012    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
  3  7  1  1  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14  7  1  0  0  0  0
 13 12  1  0  0  0  0
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 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (53)
1256

>  <Formula> (53)
C9H14N4O5

>  <MolWeight> (53)
258.23126

>  <Cat> (53)
S1802

>  <Name> (53)
AICAR (Acadesine)

>  <Synonyms> (53)
AICAR, AICA-riboside

>  <Target> (53)
AMPK

>  <Form> (53)
Free Base

>  <CAS> (53)
2627-69-2

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

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/06042114042D

 26 26  0  0  0  0  0  0  0  0999 V2000
   11.7965    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0090    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (54)
1317

>  <Formula> (54)
C14H25ClN6O5

>  <MolWeight> (54)
392.8385

>  <Cat> (54)
S4050

>  <Name> (54)
Valganciclovir Hydrochloride

>  <Synonyms> (54)
N/A

>  <Target> (54)
Antifection

>  <Form> (54)
Hydrochloride

>  <CAS> (54)
175865-59-5

>  <URL> (54)
http://www.selleckchem.com/products/valganciclovir-hcl.html

$$$$
Penciclovir.cdx
csChFnd80/06042114042D

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M  END
>  <Mol_ID> (55)
1369

>  <Formula> (55)
C10H15N5O3

>  <MolWeight> (55)
253.2578

>  <Cat> (55)
S4184

>  <Name> (55)
Penciclovir

>  <Synonyms> (55)
N/A

>  <Target> (55)
Antifection

>  <Form> (55)
Free Base

>  <CAS> (55)
39809-25-1

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

$$$$
Uracil.cdx
csChFnd80/06042114042D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
1377

>  <Formula> (56)
C4H4N2O2

>  <MolWeight> (56)
112.08676

>  <Cat> (56)
S4177

>  <Name> (56)
Uracil

>  <Synonyms> (56)
N/A

>  <Target> (56)
Others

>  <Form> (56)
Free Base

>  <CAS> (56)
66-22-8

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

$$$$
Azaguanine-8.cdx
csChFnd80/06042114042D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
1381

>  <Formula> (57)
C4H4N6O

>  <MolWeight> (57)
152.11416

>  <Cat> (57)
S4194

>  <Name> (57)
Azaguanine-8

>  <Synonyms> (57)
N/A

>  <Target> (57)
Others

>  <Form> (57)
Free Base

>  <CAS> (57)
134-58-7

>  <URL> (57)
http://www.selleckchem.com/products/azaguanine-8.html

$$$$
untitled.cdx
csChFnd80/06042114042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
1463

>  <Formula> (58)
C13H16N6O4

>  <MolWeight> (58)
320.30394

>  <Cat> (58)
S1117

>  <Name> (58)
Triciribine

>  <Synonyms> (58)
N/A

>  <Target> (58)
Akt

>  <Form> (58)
Free Base

>  <CAS> (58)
35943-35-2

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

$$$$
Emtricitabine.cdx
csChFnd80/06042114042D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (59)
1469

>  <Formula> (59)
C8H10FN3O3S

>  <MolWeight> (59)
247.2467032

>  <Cat> (59)
S1704

>  <Name> (59)
Emtricitabine

>  <Synonyms> (59)
Atripla

>  <Target> (59)
Reverse Transcriptase

>  <Form> (59)
Free Base

>  <CAS> (59)
143491-57-0

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

$$$$
Idoxuridine.cdx
csChFnd80/06042114042D

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M  END
>  <Mol_ID> (60)
1470

>  <Formula> (60)
C9H11IN2O5

>  <MolWeight> (60)
354.09851

>  <Cat> (60)
S1883

>  <Name> (60)
Idoxuridin

>  <Synonyms> (60)
N/A

>  <Target> (60)
Antifection

>  <Form> (60)
Free Base

>  <CAS> (60)
54-42-2

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

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/06042114042D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (61)
1486

>  <Formula> (61)
C22H29FN3O9P

>  <MolWeight> (61)
529.4525242

>  <Cat> (61)
S2794

>  <Name> (61)
Sofosbuvir(PSI-7977)

>  <Synonyms> (61)
N/A

>  <Target> (61)
DNA/RNA Synthesis

>  <Form> (61)
Free Base

>  <CAS> (61)
1190307-88-0

>  <URL> (61)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

$$$$
6-Mercaptopurine monohydrate.cdx
csChFnd80/06042114042D

 11 11  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (62)
1560

>  <Formula> (62)
C5H6N4OS

>  <MolWeight> (62)
170.19234

>  <Cat> (62)
S4504

>  <Name> (62)
6-Mercaptopurine (6-MP) Monohydrate

>  <Synonyms> (62)
N/A

>  <Target> (62)
DNA/RNA Synthesis

>  <Form> (62)
Monohydrate

>  <CAS> (62)
6112-76-1

>  <URL> (62)
http://www.selleckchem.com/products/6-mercaptopurine-6-mp-monohydrate.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/06042114042D

 17 19  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (63)
1570

>  <Formula> (63)
C12H11N5

>  <MolWeight> (63)
225.24924

>  <Cat> (63)
S4511

>  <Name> (63)
6-Benzylaminopurine

>  <Synonyms> (63)
N/A

>  <Target> (63)
Others

>  <Form> (63)
Free Base

>  <CAS> (63)
1214-39-7

>  <URL> (63)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/06042114042D

 48 48  0  0  0  0  0  0  0  0999 V2000
   13.6746    7.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  1  0  0  0
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M  END
>  <Mol_ID> (64)
1678

>  <Formula> (64)
C22H34N6O16S4

>  <MolWeight> (64)
766.79596

>  <Cat> (64)
S4515

>  <Name> (64)
Ademetionine disulfate tosylate 

>  <Synonyms> (64)
N/A

>  <Target> (64)
Others

>  <Form> (64)
Disulfate tosylate

>  <CAS> (64)
97540-22-2

>  <URL> (64)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

$$$$
S4685 Efavirenz.cdx
csChFnd80/06042114042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.5961    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6772    2.6238    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    2.4512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8221    4.4236    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  6  0  0  0
  6  1  1  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  0  0  0  0
  9  2  3  0  0  0  0
  8  3  2  0  0  0  0
 11  3  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
 14  4  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  8  7  1  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 16 11  2  0  0  0  0
 12 13  1  0  0  0  0
 15 17  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (65)
1684

>  <Formula> (65)
C14H9ClF3NO2

>  <MolWeight> (65)
315.6749696

>  <Cat> (65)
S4685

>  <Name> (65)
Efavirenz

>  <Synonyms> (65)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (65)
Reverse Transcriptase

>  <Form> (65)
Free Base

>  <CAS> (65)
154598-52-4

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

$$$$
Stavudine.cdx
csChFnd80/06042114042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.1480    3.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8672    4.1918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0251    5.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3999    5.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0939    4.6458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4840    4.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3134    5.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559    3.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    3.5119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    1.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471    5.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  2  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (66)
1743

>  <Formula> (66)
C10H12N2O4

>  <MolWeight> (66)
224.21328

>  <Cat> (66)
S1398

>  <Name> (66)
Stavudine

>  <Synonyms> (66)
BMY-27857, Sanilvudine, NSC 163661

>  <Target> (66)
Reverse Transcriptase

>  <Form> (66)
free base

>  <CAS> (66)
3056-17-5

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

$$$$
S3610 Cordycepin.cdx
csChFnd80/06042114042D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    5.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    4.0535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0612    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    7.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4293    5.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    3.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    2.9247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8813    7.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    7.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    5.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    2.2177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4631    1.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6832    2.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6360    7.2231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    9.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (67)
1772

>  <Formula> (67)
C10H13N5O3

>  <MolWeight> (67)
251.24192

>  <Cat> (67)
S3610

>  <Name> (67)
Cordycepin

>  <Synonyms> (67)
N/A

>  <Target> (67)
Others

>  <Form> (67)
free base

>  <CAS> (67)
73-03-0

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

$$$$
S3702 Dihydrothymine.cdx
csChFnd80/06042114042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2234    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    2.1061    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4111    0.0184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    2.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    2.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    2.0945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (68)
1779

>  <Formula> (68)
C5H8N2O2

>  <MolWeight> (68)
128.12922

>  <Cat> (68)
S3702

>  <Name> (68)
Dihydrothymine

>  <Synonyms> (68)
N/A

>  <Target> (68)
Others

>  <Form> (68)
free base

>  <CAS> (68)
696-04-8

>  <URL> (68)
http://www.selleckchem.com/products/dihydrothymine.html

$$$$
S3693 2,6-Dihydroxypurine.cdx
csChFnd80/06042114042D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (69)
1797

>  <Formula> (69)
C5H4N4O2

>  <MolWeight> (69)
152.11086

>  <Cat> (69)
S3693

>  <Name> (69)
2,6-Dihydroxypurine

>  <Synonyms> (69)
xanthine, Isoxanthine

>  <Target> (69)
Others

>  <Form> (69)
free base

>  <CAS> (69)
69-89-6

>  <URL> (69)
http://www.selleckchem.com/products/2-6-dihydroxypurine.html

$$$$
S3641 Osalmid.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    4.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    0.0043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2716    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    4.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6967    4.9113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (70)
1811

>  <Formula> (70)
C13H11NO3

>  <MolWeight> (70)
229.23134

>  <Cat> (70)
S3641

>  <Name> (70)
Osalmid

>  <Synonyms> (70)
N/A

>  <Target> (70)
ribonucleotide reductase

>  <Form> (70)
free base

>  <CAS> (70)
526-18-1

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

$$$$
S3651 4-Amino-5-imidazolecarboxamide.cdx
csChFnd80/06042114042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.0885    2.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    3.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    0.6656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908    4.6430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7565    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (71)
1815

>  <Formula> (71)
C4H6N4O

>  <MolWeight> (71)
126.11664

>  <Cat> (71)
S3651

>  <Name> (71)
4-Amino-5-imidazolecarboxamide

>  <Synonyms> (71)
N/A

>  <Target> (71)
Others

>  <Form> (71)
free base

>  <CAS> (71)
360-97-4

>  <URL> (71)
http://www.selleckchem.com/products/4-amino-5-imidazolecarboxamide.html

$$$$
S3757 2'-Deoxyinosine.cdx
csChFnd80/06042114042D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.7417    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    5.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    3.8724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5849    6.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    4.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    2.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    7.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    7.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    1.6064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4829    2.0314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0163    7.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    9.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115    1.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (72)
1940

>  <Formula> (72)
C10H12N4O4

>  <MolWeight> (72)
252.22668

>  <Cat> (72)
S3757

>  <Name> (72)
2'-Deoxyinosine

>  <Synonyms> (72)
Guanine deoxyriboside, Deoxyinosine

>  <Target> (72)
Others

>  <Form> (72)
free base

>  <CAS> (72)
890-38-0

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

$$$$
EPZ004777.cdx
csChFnd80/06042114042D

 39 42  0  0  0  0  0  0  0  0999 V2000
   10.4479    5.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3221    4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    4.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9127    3.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6291    4.4546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    3.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2196    4.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    3.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516    1.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5352    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1258    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0705    2.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7315    4.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8573    5.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1409    4.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6995    6.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8253    7.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4159    7.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667    5.5479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.6017    5.1262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4153    6.2656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.5831    7.3914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2552    6.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0047    8.7264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8152    6.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0453    3.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3326    9.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3211   10.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9861   10.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1725    9.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5507    8.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7574    9.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7459   10.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5277   11.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5162   12.6798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 25 29  1  6  0  0  0
 24 30  1  6  0  0  0
 23 19  1  1  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (73)
2025

>  <Formula> (73)
C28H41N7O4

>  <MolWeight> (73)
539.66964

>  <Cat> (73)
S7353

>  <Name> (73)
EPZ004777

>  <Synonyms> (73)
N/A

>  <Target> (73)
Histone Methyltransferase

>  <Form> (73)
Free Base

>  <CAS> (73)
1338466-77-5

>  <URL> (73)
https://www.selleckchem.com/products/epz004777.html

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/06042114042D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4179    3.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038    4.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    3.4874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    5.5882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (74)
2106

>  <Formula> (74)
C6H6N2O2

>  <MolWeight> (74)
138.12404

>  <Cat> (74)
S4785

>  <Name> (74)
Nicotinamide N-oxide

>  <Synonyms> (74)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (74)
Others

>  <Form> (74)
free base

>  <CAS> (74)
1986-81-8

>  <URL> (74)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S4801 6-Chloropurine.cdx
csChFnd80/06042114042D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4263    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7587    2.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7569    0.2666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    2.1006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    4.2012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5807    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
>  <Mol_ID> (75)
2122

>  <Formula> (75)
C5H3ClN4

>  <MolWeight> (75)
154.55712

>  <Cat> (75)
S4801

>  <Name> (75)
6-Chloropurine

>  <Synonyms> (75)
N/A

>  <Target> (75)
Others

>  <Form> (75)
free base

>  <CAS> (75)
87-42-3

>  <URL> (75)
http://www.selleckchem.com/products/6-chloropurine.html

$$$$
S4803 Thymidine.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.4448    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8796    1.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7033    2.3981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1051    2.3981    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9237    1.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    3.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    4.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2918    3.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    5.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092    6.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092    8.0534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    8.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255   10.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    8.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    8.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    6.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <Mol_ID> (76)
2123

>  <Formula> (76)
C10H14N2O5

>  <MolWeight> (76)
242.22856

>  <Cat> (76)
S4803

>  <Name> (76)
Thymidine

>  <Synonyms> (76)
Deoxythymidine, 2'-Deoxythymidine, 5-Methyldeoxyuridine

>  <Target> (76)
Others

>  <Form> (76)
free base

>  <CAS> (76)
50-89-5

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

$$$$
S4807 Uracil 1-¦Â-D-arabinofuranoside.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.9238    3.2923    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9238    4.6893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    2.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7132    5.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1424    5.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    1.1374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6155    1.1328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3830    2.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7189    6.7960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    4.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    6.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4329    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    7.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    8.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (77)
2132

>  <Formula> (77)
C9H12N2O6

>  <MolWeight> (77)
244.20138

>  <Cat> (77)
S4807

>  <Name> (77)
Uracil 1-¦Â-D-arabinofuranoside

>  <Synonyms> (77)
Spongouridine, Arauridine, 1-beta-D-Arabinofuranosyluracil, Ara-U

>  <Target> (77)
Others

>  <Form> (77)
free base

>  <CAS> (77)
3083-77-0

>  <URL> (77)
http://www.selleckchem.com/products/uracil-1-beta-d-arabinofuranoside.html

$$$$
S5009 Brivudine.cdx
csChFnd80/06042114042D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9299    3.2877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9299    4.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    2.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    2.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7166    5.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303    5.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166    1.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6067    1.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7166    6.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5062    4.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303    6.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3969    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4315    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9463    7.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3736    7.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9463    8.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    6.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8180    7.4726    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (78)
2146

>  <Formula> (78)
C11H13BrN2O5

>  <MolWeight> (78)
333.13532

>  <Cat> (78)
S5009

>  <Name> (78)
Brivudine

>  <Synonyms> (78)
BVDU

>  <Target> (78)
Antifection

>  <Form> (78)
free base

>  <CAS> (78)
69304-47-8

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

$$$$
S4994 Methylcobalamin.cdx
csChFnd80/06042114042D

 93100  0  0  0  0  0  0  0  0999 V2000
    4.5613   14.4527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5613   13.1582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6915   15.5552    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8965   14.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2366   13.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   12.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (79)
2187

>  <Formula> (79)
C63H91CoN13O14P

>  <MolWeight> (79)
1344.382301

>  <Cat> (79)
S4994

>  <Name> (79)
Methylcobalamin

>  <Synonyms> (79)
Mecobalamin, Vancomin, Methycobal, Cobametin

>  <Target> (79)
Vitamin

>  <Form> (79)
inner salt

>  <CAS> (79)
13422-55-4

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

$$$$
S4893 Cytosine.cdx
csChFnd80/06042114042D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4245    2.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    0.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    4.1994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2465    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710    0.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0228    0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (80)
2234

>  <Formula> (80)
C4H5N3O

>  <MolWeight> (80)
111.102

>  <Cat> (80)
S4893

>  <Name> (80)
Cytosine

>  <Synonyms> (80)
4-Amino-2-hydroxypyrimidine, Cytosinimine

>  <Target> (80)
Others

>  <Form> (80)
free base

>  <CAS> (80)
71-30-7

>  <URL> (80)
http://selleckchem.com/products/cytosine.html

$$$$
S5016 Isoprinosine.cdx
csChFnd80/06042114042D

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   28.3336    5.2899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (81)
2266

>  <Formula> (81)
C52H78N10O17

>  <MolWeight> (81)
1115.23252

>  <Cat> (81)
S5016

>  <Name> (81)
Isoprinosine

>  <Synonyms> (81)
inosine pranobex, Immunovir, Groprinosin, Delimmun

>  <Target> (81)
Anti-infection,Immunology & Inflammation rel

>  <Form> (81)
salt

>  <CAS> (81)
36703-88-5

>  <URL> (81)
http://selleckchem.com/products/isoprinosine.html

$$$$
Hypoxanthine.cdx
csChFnd80/06042114042D

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M  END
>  <Mol_ID> (82)
2294

>  <Formula> (82)
C5H4N4O

>  <MolWeight> (82)
136.11146

>  <Cat> (82)
S2424

>  <Name> (82)
Hypoxanthine

>  <Synonyms> (82)
N/A

>  <Target> (82)
Others

>  <Form> (82)
Free Base

>  <CAS> (82)
68-94-0

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

$$$$
NSC23766.cdx
csChFnd80/06042114042D

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M  END
>  <Mol_ID> (83)
2337

>  <Formula> (83)
C24H38Cl3N7

>  <MolWeight> (83)
530.96442

>  <Cat> (83)
S8031

>  <Name> (83)
NSC 23766

>  <Synonyms> (83)
N/A

>  <Target> (83)
Rac

>  <Form> (83)
HCl

>  <CAS> (83)
1177865-17-6

>  <URL> (83)
http://www.selleckchem.com/products/nsc-23766.html

$$$$
Zebularine.cdx
csChFnd80/06042114042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3523    2.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (84)
2366

>  <Formula> (84)
C9H12N2O5

>  <MolWeight> (84)
228.20198

>  <Cat> (84)
S7113

>  <Name> (84)
Zebularine

>  <Synonyms> (84)
N/A

>  <Target> (84)
DNA Methyltransferase

>  <Form> (84)
Free Base

>  <CAS> (84)
654065

>  <URL> (84)
https://www.selleckchem.com/products/zebularine.html

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/06042114042D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.6413    5.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8533    5.7651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (85)
2378

>  <Formula> (85)
C9H12ClF2N3O4

>  <MolWeight> (85)
299.6590864

>  <Cat> (85)
S1149

>  <Name> (85)
Gemcitabine HCl (Gemzar)

>  <Synonyms> (85)
Gemzar

>  <Target> (85)
DNA/RNA Synthesis

>  <Form> (85)
Hydrochloride

>  <CAS> (85)
122111-03-9

>  <URL> (85)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

$$$$
Mizoribine.cdx
csChFnd80/06042114042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 14  6  1  0  0  0  0
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M  END
>  <Mol_ID> (86)
2399

>  <Formula> (86)
C9H13N3O6

>  <MolWeight> (86)
259.21602

>  <Cat> (86)
S1384

>  <Name> (86)
Mizoribine (Bredinin)

>  <Synonyms> (86)
HE 69

>  <Target> (86)
DNA/RNA Synthesis

>  <Form> (86)
Free Base

>  <CAS> (86)
50924-49-7

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

$$$$

csChFnd80/06042114042D

 47 52  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
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 30 36  1  6  0  0  0
M  END
>  <Mol_ID> (87)
2412

>  <Formula> (87)
C28H38N12O6S

>  <MolWeight> (87)
670.74312

>  <Cat> (87)
S3165

>  <Name> (87)
Abacavir sulfate

>  <Synonyms> (87)
N/A 

>  <Target> (87)
Reverse Transcriptase

>  <Form> (87)
Sulfate

>  <CAS> (87)
188062-50-2

>  <URL> (87)
http://www.selleckchem.com/products/abacavir-sulfate.html

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
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 11 14  1  1  0  0  0
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 12 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (88)
2418

>  <Formula> (88)
C9H13N3O5

>  <MolWeight> (88)
243.21662

>  <Cat> (88)
S1648

>  <Name> (88)
Cytarabine

>  <Synonyms> (88)
N/A 

>  <Target> (88)
Others

>  <Form> (88)
Free Base

>  <CAS> (88)
147-94-4

>  <URL> (88)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

$$$$
Adenine sulfate.cdx
csChFnd80/06042114042D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (89)
2456

>  <Formula> (89)
C10H12N10O4S

>  <MolWeight> (89)
368.33188

>  <Cat> (89)
S1982

>  <Name> (89)
Adenine sulfate

>  <Synonyms> (89)
N/A

>  <Target> (89)
DNA/RNA Synthesis

>  <Form> (89)
Sulfate

>  <CAS> (89)
321-30-2

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

$$$$
ATP disodium salt.cdx
csChFnd80/06042114042D

 33 33  0  0  0  0  0  0  0  0999 V2000
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    7.7270    4.8162    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  2  7  1  6  0  0  0
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  4  9  1  1  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 13 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26  7  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 26  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (90)
2457

>  <Formula> (90)
C10H14N5Na2O13P3

>  <MolWeight> (90)
551.144683

>  <Cat> (90)
S1985

>  <Name> (90)
ATP (Adenosine-Triphosphate)

>  <Synonyms> (90)
N/A 

>  <Target> (90)
Others

>  <Form> (90)
Disodium Salt

>  <CAS> (90)
987-65-5

>  <URL> (90)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

$$$$
NADIDE.cdx
csChFnd80/06042114042D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    1.2124    7.5133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1086    1.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.0084    2.4771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9204    3.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3560    2.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1391    4.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6180    4.2357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9804    2.8834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3785    2.8102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8802    4.1172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7922    4.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6527    5.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4402    6.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2278    5.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8609    3.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0691    4.4783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8609    2.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  1  0  0  0
 13 17  1  1  0  0  0
 14 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 20 27  2  0  0  0  0
 20 28  1  0  0  0  0
 29 24  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 29  1  0  0  0  0
 32 34  1  1  0  0  0
 30 35  1  6  0  0  0
 31 36  1  6  0  0  0
 34 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 34  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 11  7  1  6  0  0  0
M  END
>  <Mol_ID> (91)
2466

>  <Formula> (91)
C21H27N7O14P2

>  <MolWeight> (91)
663.425102

>  <Cat> (91)
S2518

>  <Name> (91)
NAD+

>  <Synonyms> (91)
N/A

>  <Target> (91)
Others

>  <Form> (91)
Free Base

>  <CAS> (91)
53-84-9

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

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/06042114042D

 33 36  0  0  0  0  0  0  0  0999 V2000
   12.3931    8.4614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3931    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1804    6.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9653    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9653    8.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1804    9.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6340    6.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8098    7.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6340    8.8945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1804   10.5624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5628    3.0193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9188    3.0193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6340    3.8410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7383    4.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327    3.8410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9188    2.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5628    2.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327    4.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    5.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3893   11.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5982   10.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8070   11.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3893   12.6562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0159   10.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3365    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5454    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7543    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    3.5604    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.9899    3.1511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1411    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    1.4698    4.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 11  1  0  0  0  0
 12 16  1  1  0  0  0
 11 17  1  1  0  0  0
 15 18  1  0  0  0  0
 13  7  1  1  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 17  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  2  0  0  0  0
 31 32  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (92)
2510

>  <Formula> (92)
C18H23N5NaO8P

>  <MolWeight> (92)
491.367451

>  <Cat> (92)
S7858

>  <Name> (92)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (92)
dbcAMP

>  <Target> (92)
PKA

>  <Form> (92)
sodium salt

>  <CAS> (92)
16980-89-5

>  <URL> (92)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/06042114042D

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.7109    6.6719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7109    5.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    4.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2844    5.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2844    6.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    7.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9538    4.8390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1300    5.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9538    7.1047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    8.7718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    1.2327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2390    1.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9538    2.0539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0591    2.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    2.0539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2390    0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    0.7934    2.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 11  1  0  0  0  0
 12 16  1  1  0  0  0
 11 17  1  1  0  0  0
 15 18  1  0  0  0  0
 13  7  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
  8 24  1  0  0  0  0
 21 22  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (93)
2514

>  <Formula> (93)
C10H10BrN5NaO6P

>  <MolWeight> (93)
430.083831

>  <Cat> (93)
S7857

>  <Name> (93)
8-Bromo-cAMP

>  <Synonyms> (93)
N/A

>  <Target> (93)
PKA

>  <Form> (93)
sodium salt

>  <CAS> (93)
76939-46-3

>  <URL> (93)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
Bromodeoxyuridine.cdx
csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.3020    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6161    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4611    2.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6161    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    3.3127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374    4.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374    5.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    6.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    5.4127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3951    3.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 12  7  1  0  0  0  0
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  9 14  1  0  0  0  0
  3 15  1  0  0  0  0
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M  CFW   0 BOND_GSTEREO 5
M  END
>  <Mol_ID> (94)
2524

>  <Formula> (94)
C9H11BrN2O5

>  <MolWeight> (94)
307.09804

>  <Cat> (94)
S7918

>  <Name> (94)
Bromodeoxyuridine (BrdU)

>  <Synonyms> (94)
N/A

>  <Target> (94)
DNA/RNA Synthesis

>  <Form> (94)
Free Base

>  <CAS> (94)
59-14-3

>  <URL> (94)
http://www.selleckchem.com/products/bromodeoxyuridine-brdu.html

$$$$
SGC 0946.cdx
csChFnd80/06042114042D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  2  0  0  0  0
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 37 38  2  0  0  0  0
 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (95)
2636

>  <Formula> (95)
C28H40BrN7O4

>  <MolWeight> (95)
618.5657

>  <Cat> (95)
S7079

>  <Name> (95)
SGC 0946

>  <Synonyms> (95)
N/A

>  <Target> (95)
Histone Methyltransferase

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Rilpivirine.cdx
csChFnd80/06042114042D

 28 30  0  0  0  0  0  0  0  0999 V2000
   11.2000    4.8498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1000    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    6.0623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
 11  2  2  0  0  0  0
 13  2  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  5  4  1  0  0  0  0
 17  4  1  0  0  0  0
 14  6  1  0  0  0  0
 28  6  1  0  0  0  0
 15  7  2  0  0  0  0
 27  7  1  0  0  0  0
  8 10  3  0  0  0  0
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 10 18  1  0  0  0  0
 11 22  1  0  0  0  0
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 16 14  2  0  0  0  0
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M  END
>  <Mol_ID> (96)
2727

>  <Formula> (96)
C22H18N6

>  <MolWeight> (96)
366.41852

>  <Cat> (96)
S7303

>  <Name> (96)
Rilpivirine

>  <Synonyms> (96)
R278474, TMC278

>  <Target> (96)
Reverse Transcriptase

>  <Form> (96)
Free Base

>  <CAS> (96)
500287-72-9

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

$$$$
LM-3264 Triapine.cdx
csChFnd80/06042114042D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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  7  8  2  0  0  0  0
  2 13  1  0  0  0  0
M  END
>  <Mol_ID> (97)
2770

>  <Formula> (97)
C7H9N5S

>  <MolWeight> (97)
195.24486

>  <Cat> (97)
S7470

>  <Name> (97)
Triapine

>  <Synonyms> (97)
3-AP

>  <Target> (97)
DNA/RNA Synthesis

>  <Form> (97)
Free Base

>  <CAS> (97)
236392-56-6

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

$$$$
Puromycin dihydrochloride.cdx
csChFnd80/06042114042D

 36 37  0  0  0  0  0  0  0  0999 V2000
    9.7222   32.6282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   32.6282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   31.6633    8.4643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.6633    7.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4513    6.3618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2368    7.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2368    8.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4513    9.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9062    6.6314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   27.1914    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 33 27  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (98)
2848

>  <Formula> (98)
C22H31Cl2N7O5

>  <MolWeight> (98)
544.43144

>  <Cat> (98)
S7417

>  <Name> (98)
Puromycin 2HCl

>  <Synonyms> (98)
N/A

>  <Target> (98)
Antifection

>  <Form> (98)
Dihydrochloride

>  <CAS> (98)
58-58-2

>  <URL> (98)
http://www.selleckchem.com/products/Puromycin-2HCl.html

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/06042114042D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (99)
2926

>  <Formula> (99)
C17H27ClN8O5

>  <MolWeight> (99)
458.89988

>  <Cat> (99)
S7419

>  <Name> (99)
Blasticidin S HCl

>  <Synonyms> (99)
Blasticidine S HCl

>  <Target> (99)
DNA/RNA Synthesis

>  <Form> (99)
hydrochloride salt

>  <CAS> (99)
589205

>  <URL> (99)
http://www.selleckchem.com/products/blasticidin-s-hcl.html

$$$$
VER155008.cdx
csChFnd80/06042114042D

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M  END
>  <Mol_ID> (100)
3046

>  <Formula> (100)
C25H23Cl2N7O4

>  <MolWeight> (100)
556.40062

>  <Cat> (100)
S7751

>  <Name> (100)
VER155008

>  <Synonyms> (100)
C07

>  <Target> (100)
HSP (e.g. HSP90)

>  <Form> (100)
Free Base

>  <CAS> (100)
1134156-31-2

>  <URL> (100)
http://www.selleckchem.com/products/ver155008.html

$$$$
6-Thio-dG.cdx
csChFnd80/06042114042D

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M  END
>  <Mol_ID> (101)
3080

>  <Formula> (101)
C10H13N5O3S

>  <MolWeight> (101)
283.30692

>  <Cat> (101)
S7757

>  <Name> (101)
6-Thio-dG

>  <Synonyms> (101)
N/A

>  <Target> (101)
DNA/RNA Synthesis

>  <Form> (101)
Free Base

>  <CAS> (101)
789-61-7

>  <URL> (101)
http://www.selleckchem.com/products/6-thio-dg.html

$$$$
Tubercidin.cdx
csChFnd80/06042114042D

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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (102)
3213

>  <Formula> (102)
C11H14N4O4

>  <MolWeight> (102)
266.25326

>  <Cat> (102)
S8095

>  <Name> (102)
Tubercidin

>  <Synonyms> (102)
7-deaza-adenosine

>  <Target> (102)
DNA/RNA Synthesis

>  <Form> (102)
Free Base

>  <CAS> (102)
69-33-0

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

$$$$
5-Iodotubercidin.cdx
csChFnd80/06042114042D

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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (103)
3224

>  <Formula> (103)
C11H13IN4O4

>  <MolWeight> (103)
392.14979

>  <Cat> (103)
S8314

>  <Name> (103)
5-Iodotubercidin

>  <Synonyms> (103)
NSC 113939, 5-ITu

>  <Target> (103)
Adenosine Receptor

>  <Form> (103)
Free Base

>  <CAS> (103)
24386-93-4

>  <URL> (103)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
SQ22536.cdx
csChFnd80/06042114042D

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M  END
>  <Mol_ID> (104)
3254

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C9H11N5O

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205.21654

>  <Cat> (104)
S8283

>  <Name> (104)
SQ22536

>  <Synonyms> (104)
9-(tetrahydrofuran-2-yl)-9h-purin-6-amine

>  <Target> (104)
cAMP

>  <Form> (104)
Free Base

>  <CAS> (104)
17318-31-9

>  <URL> (104)
http://www.selleckchem.com/products/sq22536.html

$$$$
TAS-102.cdx
csChFnd80/06042114042D

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>  <Mol_ID> (105)
3425

>  <Formula> (105)
C29H34Cl2F6N8O12

>  <MolWeight> (105)
871.5230792

>  <Cat> (105)
S8539

>  <Name> (105)
TAS-102

>  <Synonyms> (105)
N/A

>  <Target> (105)
others

>  <Form> (105)
hydrochloride

>  <CAS> (105)
733030-01-8

>  <URL> (105)
http://www.selleckchem.com/products/tas-102.html

$$$$
A-317491.cdx
csChFnd80/06042114042D

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>  <Mol_ID> (106)
3446

>  <Formula> (106)
C33H27NO8

>  <MolWeight> (106)
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>  <Cat> (106)
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>  <Name> (106)
A-317491

>  <Synonyms> (106)
N/A

>  <Target> (106)
 P2X2/3,P2X3

>  <Form> (106)
free base

>  <CAS> (106)
475205-49-3 

>  <URL> (106)
http://www.selleckchem.com/products/a-317491.html

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/06042114042D

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    8.8073    0.2933    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2782    1.4087    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.7197    2.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9933    0.8528    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3328    2.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747    4.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    4.3109    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2306    2.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0548    0.3387    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (107)
3486

>  <Formula> (107)
C14H25N4NaO11P2

>  <MolWeight> (107)
510.305792

>  <Cat> (107)
S3619

>  <Name> (107)
Citicoline sodium

>  <Synonyms> (107)
CDP-choline

>  <Target> (107)
Others

>  <Form> (107)
sodium salt

>  <CAS> (107)
33818-15-4

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

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/06042114042D

 48 50  0  0  0  0  0  0  0  0999 V2000
    9.7442    7.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7442    6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9562    5.6268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1707    6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1707    7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9562    8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    5.8964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3251    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9562    9.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7865    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5013    1.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6066    2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7021    1.7463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7021    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    3.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7437   10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5313    9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3189   10.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5312    5.6303    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3193    6.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1063    5.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8945    6.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820    7.0333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5945    7.5457    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945    5.1208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8725    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    4.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    1.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.4476    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8725    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7725    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8725    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8725    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102    1.1579    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.9601    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9997    0.8202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
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 12 16  1  1  0  0  0
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 15 18  1  1  0  0  0
 13  7  1  1  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
 32 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 41 45  1  0  0  0  0
 37 47  1  0  0  0  0
 37 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 34 35  1  0  0  0  0
 39 40  1  0  0  0  0
 43 44  1  0  0  0  0
 45 46  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (108)
3503

>  <Formula> (108)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (108)
864.2865126

>  <Cat> (108)
S3737

>  <Name> (108)
Cangrelor Tetrasodium

>  <Synonyms> (108)
AR-C69931MX

>  <Target> (108)
P2Y12 receptor

>  <Form> (108)
tetrasodium salt

>  <CAS> (108)
163706-36-3

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

$$$$
Adenosine Dialdehyde (ADOX).cdx
csChFnd80/06042114042D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.3816    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3816    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5941    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8065    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8065    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5941    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0293    3.8623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2668    2.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1479    1.6002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5941    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5276    5.1694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4087    6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9070    7.5644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7914    6.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449    5.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638    4.3004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8810    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    5.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    2.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8845    1.9053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  3 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (109)
3522

>  <Formula> (109)
C10H11N5O4

>  <MolWeight> (109)
265.22544

>  <Cat> (109)
S8608

>  <Name> (109)
Adenosine Dialdehyde (ADOX)

>  <Synonyms> (109)
N/A

>  <Target> (109)
AdoHcy hydrolase

>  <Form> (109)
free base

>  <CAS> (109)
34240-05-6

>  <URL> (109)
http://www.selleckchem.com/products/adenosine-dialdehyde-adox.html

$$$$
S5107 Flavin mononucleotide.cdx
csChFnd80/06042114042D

 32 33  0  0  0  0  0  0  0  0999 V2000
    9.2604    5.5987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0598    6.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4846    6.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2604    4.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0716    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8415    5.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4964    7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6911    5.5782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    3.5013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2899    8.3986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8651    8.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6321    6.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7206    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9064    6.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    2.0987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8422    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498    7.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197    5.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9212    7.6679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1189    5.5629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6281    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8411    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4159    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    2.0999    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.9033    3.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9909    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033    0.8874    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9115    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  1  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 14 19  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  6  0  0  0
 17 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (110)
3536

>  <Formula> (110)
C17H20N4NaO9P

>  <MolWeight> (110)
478.325631

>  <Cat> (110)
S5107

>  <Name> (110)
Flavin mononucleotide

>  <Synonyms> (110)
riboflavin-5'-phosphate, FMN

>  <Target> (110)
Others

>  <Form> (110)
sodium salt

>  <CAS> (110)
130-40-5

>  <URL> (110)
http://www.selleckchem.com/products/flavin-mononucleotide.html

$$$$
LLY-283.cdx
csChFnd80/06042114042D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.5072    9.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196    7.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    9.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196   10.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757   10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    9.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    8.1640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    6.8325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4116    6.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.9999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7431    4.5673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5660    5.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2790    4.1770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    3.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660    5.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196   12.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  1  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 13 23  1  6  0  0  0
 14 24  1  6  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (111)
3563

>  <Formula> (111)
C17H18N4O4

>  <MolWeight> (111)
342.34922

>  <Cat> (111)
S8479

>  <Name> (111)
LLY-283

>  <Synonyms> (111)
N/A

>  <Target> (111)
PRMT5

>  <Form> (111)
free base

>  <CAS> (111)
2040291-27-6

>  <URL> (111)
http://www.selleckchem.com/products/lly-283.html

$$$$
S5109 Ademetionine.cdx
csChFnd80/06042114042D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.7901    1.7945    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1900    1.7860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6320    3.1154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5008    3.9466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3677    3.1263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9661    3.5399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0937    2.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2317    3.5259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4068    4.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8132    4.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5202    6.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250    7.2888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4214    7.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7129    6.0877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9202    6.0588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0382    3.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9596    0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0055    0.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0421    2.5809    0.0000 S   0  3  3  0  0  0  0  0  0  0  0  0
    4.6921    2.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3962    1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    1.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3461    2.3384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3500    1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920    3.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7251    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7041    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  6  0  0  0
  2 18  1  6  0  0  0
  2  3  1  0  0  0  0
  3  6  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 16  1  1  0  0  0
  6  7  1  0  0  0  0
  9  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (112)
3571

>  <Formula> (112)
C15H22N6O5S

>  <MolWeight> (112)
398.43738

>  <Cat> (112)
S5109

>  <Name> (112)
Ademetionine

>  <Synonyms> (112)
AdoMet, S-Adenosylmethionine, SAMe

>  <Target> (112)
Others

>  <Form> (112)
inner salt

>  <CAS> (112)
29908-03-0

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

$$$$
S5307 2'-deoxy-2'-fluoro-2'-C-methyluridine.cdx
csChFnd80/06042114042D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.5635    5.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    4.1921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6268    4.4833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    4.4833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9350    5.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.2708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4579    3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2806    4.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    2.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  6  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (113)
3709

>  <Formula> (113)
C10H13FN2O5

>  <MolWeight> (113)
260.2190232

>  <Cat> (113)
S5307

>  <Name> (113)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Synonyms> (113)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Target> (113)
HCV Protease

>  <Form> (113)
free base

>  <CAS> (113)
863329-66-2

>  <URL> (113)
http://selleckchem.com/products/psi-6206-ro-2433-gs-331007.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/06042114042D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (114)
3739

>  <Formula> (114)
C10H16N5O8P

>  <MolWeight> (114)
365.236501

>  <Cat> (114)
S5284

>  <Name> (114)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (114)
5'-Adenylic acid, 5'-AMP

>  <Target> (114)
AMPK

>  <Form> (114)
hydrate 

>  <CAS> (114)
18422-05-4

>  <URL> (114)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/06042114042D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
 29 12  2  0  0  0  0
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 11 10  2  0  0  0  0
 10  8  1  0  0  0  0
 13 14  2  0  0  0  0
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 27 25  2  0  0  0  0
 25 24  1  0  0  0  0
 24 15  2  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 16  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
  2 30  2  0  0  0  0
  2 31  2  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  0  0  0  0
 28 35  1  0  0  0  0
M  END
>  <Mol_ID> (115)
3745

>  <Formula> (115)
C26H27N3O5S

>  <MolWeight> (115)
493.57468

>  <Cat> (115)
S5402

>  <Synonyms> (115)
N/A

>  <Target> (115)
HCV Protease

>  <Form> (115)
free base

>  <CAS> (115)
1132935-63-7

>  <URL> (115)
http://selleckchem.com/products/dasabuvir-abt-333.html

$$$$
S5215 Abacavir.cdx
csChFnd80/06042114042D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.8365    7.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8313    6.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1696    8.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1612    5.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    5.7174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    9.9144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    7.8220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9883    7.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889    4.6392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4106    6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   10.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    3.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1981    5.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   11.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    2.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9130    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1421    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
 10  5  1  1  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  1  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (116)
3753

>  <Formula> (116)
C14H18N6O

>  <MolWeight> (116)
286.33232

>  <Cat> (116)
S5215

>  <Name> (116)
Abacavir

>  <Synonyms> (116)
N/A

>  <Target> (116)
Reverse Transcriptase

>  <Form> (116)
free base

>  <CAS> (116)
136470-78-5

>  <URL> (116)
http://selleckchem.com/products/abacavir.html

$$$$
S5316 NU2058.cdx
csChFnd80/06042114042D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    2.5263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    0.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1918    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
  2  6  1  0  0  0  0
  5  2  2  0  0  0  0
  4  3  2  0  0  0  0
  8  3  1  0  0  0  0
  7  4  1  0  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (117)
3762

>  <Formula> (117)
C12H17N5O

>  <MolWeight> (117)
247.29628

>  <Cat> (117)
S5316

>  <Name> (117)
NU2058

>  <Synonyms> (117)
O(6)-Cyclohexylmethylguanine

>  <Target> (117)
CDK

>  <Form> (117)
free base

>  <CAS> (117)
161058-83-9

>  <URL> (117)
http://selleckchem.com/products/nu2058.html

$$$$
S5246 Entecavir.cdx
csChFnd80/06042114042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9772    5.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4252    4.0227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7872    6.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6272    7.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    5.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7637    3.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151    2.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9515    7.6142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4017    7.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7751    2.2053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8880    4.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508    1.7576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1966    7.1452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4017    9.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9159    1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0336    0.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7835    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 15  2  0  0  0  0
 12 18  1  6  0  0  0
 12 14  1  0  0  0  0
 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (118)
3770

>  <Formula> (118)
C12H15N5O3

>  <MolWeight> (118)
277.2792

>  <Cat> (118)
S5246

>  <Name> (118)
Entecavir

>  <Synonyms> (118)
N/A

>  <Target> (118)
Reverse Transcriptase

>  <Form> (118)
free base

>  <CAS> (118)
142217-69-4

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

$$$$
S5297 Vidarabine monohydrate.cdx
csChFnd80/06042114042D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1810    6.9304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5154    7.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396    5.6018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3610    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5279    8.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7146    6.6489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    5.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5617    4.4758    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2016    9.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369    9.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9393    7.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    3.7712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7177    3.3396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9616    4.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    8.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369   10.8537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    2.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    2.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  1  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (119)
3784

>  <Formula> (119)
C10H15N5O5

>  <MolWeight> (119)
285.2566

>  <Cat> (119)
S5297

>  <Name> (119)
Vidarabine monohydrate

>  <Synonyms> (119)
Spongoadenosine monohydrate, Vira-A monohydrate

>  <Target> (119)
DNA/RNA Synthesis

>  <Form> (119)
hydrate 

>  <CAS> (119)
24356-66-9

>  <URL> (119)
http://selleckchem.com/products/vidarabine-monohydrate.html

$$$$
S5362 Citicholine.cdx
csChFnd80/06042114042D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.8356    3.9789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6281    3.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1228    3.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9794    5.3740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4111    3.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0554    4.4646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3469    5.6739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9368    6.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988    3.2609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4047    5.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4472    4.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9063    6.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    1.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0334    3.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4175    2.9369    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.8093    2.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2884    1.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5446    4.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3876    1.5538    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.6718    2.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1330    0.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9725    0.2844    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8080    1.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0858    1.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2183    1.1304    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   18.0328    2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3596    0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (120)
3869

>  <Formula> (120)
C14H26N4O11P2

>  <MolWeight> (120)
488.323962

>  <Cat> (120)
S5362

>  <Name> (120)
Citicholine

>  <Synonyms> (120)
CDP-choline, cytidine 5'-diphosphocholine

>  <Target> (120)
Others

>  <Form> (120)
inner salt

>  <CAS> (120)
987-78-0

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

$$$$
S5374 5'-Cytidylic acid.cdx
csChFnd80/06042114042D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2166    2.5112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5707    2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7141    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5676    1.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9453    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    2.6544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2825    1.2907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4141    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314    2.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1967    0.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2913    4.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957    3.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693    0.2296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    2.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6337    3.9576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    2.9027    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7433    1.6135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
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 10 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (121)
3875

>  <Formula> (121)
C9H14N3O8P

>  <MolWeight> (121)
323.196521

>  <Cat> (121)
S5374

>  <Name> (121)
5'-Cytidylic acid

>  <Synonyms> (121)
Cytidine monophosphate, Cytidine 5'-phosphate

>  <Target> (121)
DNA/RNA Synthesis

>  <Form> (121)
free base

>  <CAS> (121)
63-37-6 

>  <URL> (121)
http://selleckchem.com/products/5-cytidylic-acid.html

$$$$
S5384 UTP, Trisodium Salt.cdx
csChFnd80/06042114042D

 32 30  0  0  0  0  0  0  0  0999 V2000
   11.8308    6.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8308    7.8994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6979    5.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9489    5.6779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6136    8.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0507    8.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209    4.3554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5023    4.3434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2832    6.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187   10.0204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4012    7.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0411   10.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2896    3.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3153    3.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8389   10.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8984    3.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8389   12.1075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    2.2592    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.9406    3.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1936    1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2358    1.1327    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6574    2.5305    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    3.7063    3.9704    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.8630    5.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496    2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151    4.1271    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0244    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2439    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.8780    0.8780    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (122)
3885

>  <Formula> (122)
C9H12N2Na3O15P3

>  <MolWeight> (122)
550.086573

>  <Cat> (122)
S5384

>  <Name> (122)
UTP, Trisodium Salt

>  <Synonyms> (122)
N/A

>  <Target> (122)
DNA/RNA Synthesis

>  <Form> (122)
Trisodium salt

>  <CAS> (122)
19817-92-6 

>  <URL> (122)
http://selleckchem.com/products/utp-trisodium-salt.html

$$$$
S5461 Cimicifugoside.cdx
csChFnd80/06042114042D

 51 59  0  0  0  0  0  0  0  0999 V2000
    3.6156    3.4747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6790    4.5153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4000    3.9458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5462    2.5536    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057    1.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5465    5.3382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9156    2.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0063    8.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2188    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4311    8.4003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4308    9.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6437    7.7007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.8559    8.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6439    6.3009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.8566    5.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4316    5.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2193    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7939    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7939    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5816    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5816    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4815    9.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6816    9.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3690    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1567    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9443    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9443    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7318    5.5999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5855    6.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4003    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774    4.8999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4003    3.7674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8309    2.4884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4385    2.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538    1.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7318    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.9443    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1567    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1567    5.5999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3690    6.2999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3690    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851    4.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9443    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1567    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3690    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775    6.1124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0067    9.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  7  1  1  0  0  0
  1  8  1  0  0  0  0
  4  8  1  0  0  0  0
 10  9  1  1  0  0  0
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 29 30  1  6  0  0  0
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
  1 35  1  1  0  0  0
 34 36  1  6  0  0  0
 33 37  1  0  0  0  0
 29 37  1  0  0  0  0
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 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 28 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 21  1  0  0  0  0
 25 42  1  0  0  0  0
 42 43  1  1  0  0  0
 41 43  1  1  0  0  0
 32 44  1  0  0  0  0
  1 44  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 45 46  1  0  0  0  0
 39 45  1  1  0  0  0
 19  9  1  1  0  0  0
 32 49  1  6  0  0  0
 25 50  1  6  0  0  0
 33 51  1  6  0  0  0
M  END
>  <Mol_ID> (123)
3924

>  <Formula> (123)
C37H54O11

>  <MolWeight> (123)
674.81806

>  <Cat> (123)
S5461

>  <Name> (123)
Cimicifugoside

>  <Synonyms> (123)
N/A

>  <Target> (123)
Others

>  <Form> (123)
free base

>  <CAS> (123)
66176-93-0

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

$$$$
S5582 Cytarabine hydrochloride.cdx
csChFnd80/06042114042D

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.6898    3.6556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6898    5.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815    5.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    5.7558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1151    5.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3232    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1151    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024    2.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815    2.9580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3350    1.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3718    0.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    1.2746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3979    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    2.4872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2025    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    1.2572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
  9 15  1  0  0  0  0
  9  1  1  1  0  0  0
M  END
>  <Mol_ID> (124)
3986

>  <Formula> (124)
C9H14ClN3O5

>  <MolWeight> (124)
279.67756

>  <Cat> (124)
S5582

>  <Name> (124)
Cytarabine hydrochloride

>  <Synonyms> (124)
N/A

>  <Target> (124)
DNA/RNA Synthesis

>  <Form> (124)
hydrochloride 

>  <CAS> (124)
69-74-9

>  <URL> (124)
http://selleckchem.com/products/cytarabine-hydrochloride.html

$$$$
S4984 2,2'-Cyclouridine.cdx
csChFnd80/06042114042D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.2023    2.9652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0515    1.5927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5446    3.2649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  6  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  1  0  0  0
 11 14  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (125)
4019

>  <Formula> (125)
C9H10N2O5

>  <MolWeight> (125)
226.1861

>  <Cat> (125)
S4984

>  <Name> (125)
2,2'-Cyclouridine

>  <Target> (125)
Others

>  <Form> (125)
free base

>  <CAS> (125)
3736-77-4

>  <URL> (125)
http://selleckchem.com/products/2-2-cyclouridine.html

$$$$
S5259 ¦Â-Nicotinamide Mononucleotide.cdx
csChFnd80/06042114042D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.8995    5.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8995    6.7878    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7437    4.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0049    4.5713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1198    7.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107    7.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715    3.2492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5883    3.2492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3357    5.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180    8.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107    8.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4163    2.1202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9052    9.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3305    9.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    2.2642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3305   10.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321    1.1321    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.3085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642    0.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9557    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (126)
4026

>  <Formula> (126)
C11H15N2O8P

>  <MolWeight> (126)
334.219161

>  <Cat> (126)
S5259

>  <Name> (126)
¦Â-Nicotinamide Mononucleotide

>  <Form> (126)
inner salt

>  <CAS> (126)
1094-61-7

$$$$
S5358 Regadenoson.cdx
csChFnd80/06042114042D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.0566    4.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7160    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4714    3.5916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4912    4.6762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2661    5.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7160    6.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2661    6.8078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0753    7.1886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0537    4.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6529    2.4746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8887    6.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8026    3.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497    2.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5147    7.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    5.2503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9258    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4628    1.3196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8026    1.7030    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9715    1.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8798    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7866    0.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5147    8.8921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530    2.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782    1.5395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9952    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9193    0.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2089    1.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  6  0  0  0
 11  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  2  2  0  0  0  0
 10  3  1  0  0  0  0
 12  3  1  0  0  0  0
  5  4  2  0  0  0  0
  7  5  1  0  0  0  0
  9  5  1  0  0  0  0
 14  6  1  0  0  0  0
  8  6  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 10 23  1  1  0  0  0
 18 12  1  0  0  0  0
 13 16  2  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 22 14  1  0  0  0  0
 20 15  2  0  0  0  0
 17 25  1  1  0  0  0
 18 17  1  0  0  0  0
 18 26  1  6  0  0  0
 21 19  2  0  0  0  0
 24 19  1  0  0  0  0
 28 24  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (127)
4035

>  <Formula> (127)
C15H18N8O5

>  <MolWeight> (127)
390.35402

>  <Cat> (127)
S5358

>  <Name> (127)
Regadenoson

>  <Synonyms> (127)
CVT-3146, Lexiscan

>  <Target> (127)
Adenosine Receptor

>  <Form> (127)
free base

>  <CAS> (127)
313348-27-5  

>  <URL> (127)
http://selleckchem.com/products/regadenoson.html

$$$$
S5065 Ganciclovir sodium.cdx
csChFnd80/06042114042D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5900    5.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    7.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    5.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    5.0430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    7.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    7.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6876    6.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3844    3.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    7.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    9.1865    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.7576    3.7040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2081    2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2854    1.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7359    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0318    0.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929    9.1351    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (128)
4080

>  <Formula> (128)
C9H12N5NaO4

>  <MolWeight> (128)
277.21245

>  <Cat> (128)
S5065

>  <Name> (128)
Ganciclovir sodium

>  <Synonyms> (128)
N/A

>  <Target> (128)
others

>  <CAS> (128)
107910-75-8

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

$$$$
S9345 Disodium 5'-Inosinate.cdx
csChFnd80/06042114042D

 25 25  0  0  0  0  0  0  0  0999 V2000
    9.1359    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5686    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8044    2.4641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2686    2.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9686    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8686    5.4406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6718    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3718    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4012    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6686    5.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5686    6.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5392    2.4641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9718    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1947    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9686    6.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0686    5.4406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    2.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166    4.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852    4.6988    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2537    5.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1525    3.3673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0178    6.0302    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1404    6.0706    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3826    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (129)
4107

>  <Formula> (129)
C10H11N4Na2O8P

>  <MolWeight> (129)
392.169641

>  <Cat> (129)
S9345

>  <Name> (129)
Disodium 5'-Inosinate

>  <Form> (129)
free base

>  <CAS> (129)
4691-65-0

$$$$
S9365 Disodium uridine-5'-monophosphate.cdx
csChFnd80/06042114042D

 23 22  0  0  0  0  0  0  0  0999 V2000
    7.7058    2.5118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0242    2.9829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067    3.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246    1.1608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1115    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2897    4.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830    2.4830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9308    1.1420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1770    0.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4278    2.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8686    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5968    4.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    2.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1209    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6672    3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525    4.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9825    4.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5259    4.7060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926    5.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1021    3.3829    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9563    6.0494    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3844    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.0804    6.0619    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (130)
4116

>  <Formula> (130)
C9H11N2Na2O9P

>  <MolWeight> (130)
368.144941

>  <Cat> (130)
S9365

>  <Name> (130)
Disodium uridine-5'-monophosphate

>  <Form> (130)
free base

>  <CAS> (130)
3387-36-8

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/06042114042D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0904    1.1338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9118    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905    1.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8660    0.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    2.4679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3936    3.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7951    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    6.6614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    6.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.4459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488    2.3174    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    3.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    1.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (131)
4117

>  <Formula> (131)
C10H14N5O7P

>  <MolWeight> (131)
347.221221

>  <Cat> (131)
S9366

>  <Name> (131)
5'-Adenylic acid

>  <Form> (131)
free base

>  <CAS> (131)
61-19-8

$$$$
S9367 Adenosine disodium triphosphate.cdx
csChFnd80/06042114042D

 33 33  0  0  0  0  0  0  0  0999 V2000
   13.3160    5.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4577    4.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9894    4.9117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7338    6.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5811    5.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6195    3.1582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    5.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5716    3.5755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1337    6.7109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8663    4.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9048    2.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7243    4.8865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1717    3.5599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4071    2.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0282    3.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9898    5.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    5.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    4.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9975    4.8984    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.5103    3.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6850    5.3855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4846    6.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301    3.3515    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.3644    1.9712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8957    4.7317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498    3.1171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2863    1.0781    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1794    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3932    2.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    0.1851    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2306    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.4390    3.2306    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.3615    2.4182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 13 33  1  6  0  0  0
M  END
>  <Mol_ID> (132)
4118

>  <Formula> (132)
C10H14N5Na2O13P3

>  <MolWeight> (132)
551.144683

>  <Cat> (132)
S9367

>  <Name> (132)
Adenosine disodium triphosphate

>  <CAS> (132)
34369-07-8

$$$$
S9368 ADP.cdx
csChFnd80/06042114042D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.0319    2.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1371    2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6899    2.4662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4842    4.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2860    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2414    0.6074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5773    3.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2367    1.1427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8779    4.1580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5466    2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5365    0.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4465    2.5178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8639    1.1573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6813    0.8196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6893    3.0362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1212    2.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9695    0.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495    4.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242    4.7938    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.9755    6.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0729    3.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    5.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535    7.1725    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070    8.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1314    8.2260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (133)
4119

>  <Formula> (133)
C10H15N5O10P2

>  <MolWeight> (133)
427.201122

>  <Cat> (133)
S9368

>  <Name> (133)
ADP

>  <Form> (133)
free base

>  <CAS> (133)
58-64-0

$$$$
S9369 Xanthosine Dihydrate.cdx
csChFnd80/06042114042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5383    3.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6938    4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798    1.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0230    3.6770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2611    5.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513    5.4710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1288    3.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1427    4.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582    2.3468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9702    2.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2709    3.6571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8640    2.3468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6326    1.2160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6019    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875    1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6433    3.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 15 18  1  6  0  0  0
 15 16  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (134)
4120

>  <Formula> (134)
C10H12N4O6

>  <MolWeight> (134)
284.22548

>  <Cat> (134)
S9369

>  <Name> (134)
Xanthosine

>  <Form> (134)
free base

>  <CAS> (134)
146-80-5

$$$$
S9430 Tomatidine.cdx
csChFnd80/06042114042D

 37 41  0  0  0  0  0  0  0  0999 V2000
   10.7826    6.6746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5520    6.6746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7711    5.5680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7826    8.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9994    5.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5403    5.4928    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3177    7.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398    4.7859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9994    8.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    6.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3177    4.8034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7398    3.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    8.1580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3177    3.4128    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1011    5.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3177    6.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4213    8.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1011    2.8391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8845    4.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    3.4128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1011    1.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675    2.7115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6675    3.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509    0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    1.3385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6437    4.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3352    2.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1011    4.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    2.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6575    1.7613    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  6  0  0  0
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  2  7  1  6  0  0  0
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  6 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  6  0  0  0
  8 12  1  0  0  0  0
  8 32  1  6  0  0  0
  9 13  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  1  0  0  0
 12 14  1  0  0  0  0
 13 17  1  6  0  0  0
 14 18  1  0  0  0  0
 14 33  1  6  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  1  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  6  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 24 36  1  6  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (135)
4159

>  <Formula> (135)
C27H46ClNO2

>  <MolWeight> (135)
452.11264

>  <Cat> (135)
S9430

>  <Name> (135)
Tomatidine

>  <Form> (135)
free base

>  <CAS> (135)
6192-62-7

$$$$

csChFnd80/06042114042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6378    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    3.4902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    5.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    3.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    6.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9725    6.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7861    4.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    5.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    3.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    1.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    7.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (136)
4180

>  <Formula> (136)
C10H14N4O2

>  <MolWeight> (136)
222.24376

>  <Cat> (136)
S5836

>  <Name> (136)
IBMX

>  <Synonyms> (136)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (136)
PDE

>  <Form> (136)
Free Base

>  <CAS> (136)
28822-58-4

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

$$$$

csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.1775    2.9624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3899    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6618    1.2790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6024    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (137)
4212

>  <Formula> (137)
C10H15N3O4

>  <MolWeight> (137)
241.2438

>  <Cat> (137)
S5907

>  <Name> (137)
5-Methyl-2'-deoxycytidine

>  <Synonyms> (137)
5-Methyldeoxycytidine, 5MedCyd

>  <Target> (137)
Others

>  <Form> (137)
Free Base

>  <CAS> (137)
838-07-3

>  <URL> (137)
http://www.selleckchem.com/products/5-methyl-2-deoxycytidine.html

$$$$
S9007 2'-Deoxyguanosine monohydrate.cdx
csChFnd80/06042114042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.7229    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8689    1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7361    2.2150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4046    1.7821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9723    0.4505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818    2.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4043    4.0473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7357    3.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    5.3787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7941    6.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9709    7.6439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396    7.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    7.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    9.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    7.2104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    5.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    5.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 12 19  2  0  0  0  0
  9 19  1  0  0  0  0
M  END
>  <Mol_ID> (138)
4278

>  <Formula> (138)
C10H13N5O4

>  <MolWeight> (138)
267.24132

>  <Cat> (138)
S9007

>  <Name> (138)
2'-Deoxyguanosine

>  <Form> (138)
free base

>  <CAS> (138)
961-07-9

$$$$
S9275 Isoguanosine.cdx
csChFnd80/06042114042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7082    2.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8307    4.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (139)
4473

>  <Formula> (139)
C10H13N5O5

>  <MolWeight> (139)
283.24072

>  <Cat> (139)
S9275

>  <Name> (139)
Isoguanosine

>  <Form> (139)
free base

>  <CAS> (139)
1818-71-9

$$$$
S5505 2'-deoxyuridine.cdx
csChFnd80/06042114042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.9326    3.3102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9326    4.7102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8091    2.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524    2.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442    5.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    5.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204    1.1283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6072    1.1377    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7264    6.8209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317    4.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    6.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285    0.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038    7.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038    8.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (140)
4546

>  <Formula> (140)
C9H12N2O5

>  <MolWeight> (140)
228.20198

>  <Cat> (140)
S5505

>  <Name> (140)
2'-deoxyuridine

>  <Target> (140)
kinase

>  <CAS> (140)
951-78-0

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

$$$$
S9012 Khasianine.cdx
csChFnd80/06042114042D

 56 63  0  0  0  0  0  0  0  0999 V2000
    3.4996    3.6405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5996    4.8529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4003    4.8579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1000    3.6405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7010    3.6410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2994    3.6410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4000    2.4281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    6.0688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    4.8529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1991    2.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0969    1.2196    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3026    6.0702    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4959    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4010    2.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5994    2.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3969    0.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6026    7.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2028    7.2826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8506   12.1706    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2801   14.9721    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6413   11.0231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8361    8.4949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8572   13.1949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5448    7.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9905   13.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0799   12.7114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5449    9.7279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9235    9.7696    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9597   11.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6650   15.1315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9098   14.6556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4985   12.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 10  1  0  0  0  0
  5 14  1  6  0  0  0
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 20 19  1  0  0  0  0
 13 21  1  1  0  0  0
  2 12  1  0  0  0  0
 11  7  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
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  2  9  1  6  0  0  0
 10  1  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
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 35 22  1  0  0  0  0
 36 37  1  0  0  0  0
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 38 35  1  0  0  0  0
 43 39  1  1  0  0  0
 40 25  1  0  0  0  0
 41 27  1  0  0  0  0
 42 23  1  0  0  0  0
 43 46  1  0  0  0  0
 44 33  1  0  0  0  0
 22 45  1  1  0  0  0
 46 40  1  0  0  0  0
 25 47  1  1  0  0  0
 48 42  1  0  0  0  0
 49 44  1  0  0  0  0
 34 50  1  6  0  0  0
 49 51  1  1  0  0  0
 26 52  1  6  0  0  0
 29 53  1  6  0  0  0
 24 54  1  6  0  0  0
 31 55  1  1  0  0  0
 30 56  1  6  0  0  0
 32 29  1  0  0  0  0
 30 31  1  0  0  0  0
 28 23  1  0  0  0  0
 27 36  2  0  0  0  0
 49 48  1  0  0  0  0
 43 41  1  0  0  0  0
  3 39  1  6  0  0  0
M  END
>  <Mol_ID> (141)
4609

>  <Formula> (141)
C39H63NO11

>  <MolWeight> (141)
721.91762

>  <Cat> (141)
S9012

>  <Name> (141)
Khasianine

>  <Form> (141)
free base

>  <CAS> (141)
32449-98-2

$$$$
S9351 2'-Deoxyadenosine monohydrate.cdx
csChFnd80/06042114042D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.8967    5.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    5.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.0479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0738    6.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    7.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    3.6152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    2.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    7.6446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406    7.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531    5.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.2152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.6531    7.2120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406    9.3120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    0.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3186    2.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
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 13 17  1  6  0  0  0
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M  END
>  <Mol_ID> (142)
4637

>  <Formula> (142)
C10H15N5O4

>  <MolWeight> (142)
269.2572

>  <Cat> (142)
S9351

>  <Name> (142)
2'-Deoxyadenosine monohydrate

>  <Form> (142)
free base

>  <CAS> (142)
16373-93-6

$$$$
S9382 Thymine.cdx
csChFnd80/06042114042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    2.1074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334    4.2147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1996    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6244    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4077    0.0148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (143)
4655

>  <Formula> (143)
C5H6N2O2

>  <MolWeight> (143)
126.11334

>  <Cat> (143)
S9382

>  <Name> (143)
Thymine

>  <Target> (143)
estrogen related receptor alpha

>  <Form> (143)
free base

>  <CAS> (143)
65-71-4

$$$$
S5678 trans-Zeatin-riboside.cdx
csChFnd80/06042114042D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.4644    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5863    1.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0177    2.4115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3495    2.8440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4783    2.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3495    4.2442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4785    5.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0178    4.6769    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1950    3.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4095    7.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5866    8.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    7.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423    8.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423    9.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    7.8369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    6.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0422    5.7367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    6.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8338   10.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    9.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169   10.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    9.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169   12.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 19  2  0  0  0  0
 10 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (144)
4675

>  <Formula> (144)
C15H21N5O5

>  <MolWeight> (144)
351.35774

>  <Cat> (144)
S5678

>  <Name> (144)
trans-Zeatin-riboside

>  <Synonyms> (144)
N/A

>  <Target> (144)
Others

>  <CAS> (144)
6025-53-2

>  <URL> (144)
http://selleckchem.com/products/trans-zeatin-riboside.html

$$$$

csChFnd80/06042114042D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.4086    2.4677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7321    2.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2859    3.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    1.1402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0020    4.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    2.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536    2.4665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6114    1.1384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8226    0.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3155    4.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365    5.2405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1247    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339    2.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7785    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3619    3.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    4.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7001    4.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3072    4.7861    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059    3.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    6.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (145)
4875

>  <Formula> (145)
C9H13N2O9P

>  <MolWeight> (145)
324.181281

>  <Cat> (145)
S9451

>  <Name> (145)
Uridine 5'-monophosphate

>  <Synonyms> (145)
Uridylic acid, 5'-Uridylic acid, Uridine phosphate, 5'-UMP, Uridine 5'-phosphoric acid

>  <Target> (145)
DNA/RNA Synthesis

>  <Form> (145)
Free Base

>  <CAS> (145)
58-97-9

>  <URL> (145)
http://www.selleckchem.com/products/uridine-5-monophosphate.html

$$$$

csChFnd80/06042114042D

 31 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.9929    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.3133    4.6925    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.8769    5.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2263    5.2497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7185    3.9369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9490    2.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1175    3.9991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9875    2.9074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    5.3494    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3219    6.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7978    5.8395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0277    7.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9497    8.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    7.7130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4211    6.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7282    7.3130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1911    5.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8795    4.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5403    5.0155    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1964    5.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8898    4.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8084    3.3324    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    3.4761    4.6824    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1434    1.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1553    0.9992    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1303    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    0.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804    1.9983    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (146)
5039

>  <Formula> (146)
C9H14N3Na2O14P3

>  <MolWeight> (146)
527.119983

>  <Cat> (146)
S6077

>  <Name> (146)
Cytidine 5¡ä-triphosphate (disodium salt)

>  <Synonyms> (146)
N/A

>  <Target> (146)
DNA/RNA Synthesis

>  <Form> (146)
disodium salt

>  <CAS> (146)
36051-68-0

>  <URL> (146)
http://www.selleck.cn/products/cytidine-5-triphosphate-disodium-salt.html

$$$$

csChFnd80/06042114042D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (147)
5044

>  <Formula> (147)
C7H9N5

>  <MolWeight> (147)
163.17986

>  <Cat> (147)
S6088

>  <Name> (147)
6-(Dimethylamino)purine

>  <Synonyms> (147)
N,N-Dimethyladenine

>  <Target> (147)
Serine/threonin kina

>  <Form> (147)
free base

>  <CAS> (147)
938-55-6

>  <URL> (147)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/06042114042D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1553    2.9155    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3830    3.5884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782    1.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8893    3.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140    4.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5796    2.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    1.2660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9976    0.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    2.4937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6416    5.6611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2174    5.7148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8073    3.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0051    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8383    4.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0039    2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0659    5.6074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  6  0  0  0
  7  9  1  0  0  0  0
  9 14  1  1  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (148)
5075

>  <Formula> (148)
C10H15N3O5

>  <MolWeight> (148)
257.2432

>  <Cat> (148)
S6138

>  <Name> (148)
5-Methylcytidine

>  <Synonyms> (148)
N/A

>  <Target> (148)
Others

>  <Form> (148)
free base

>  <CAS> (148)
2140-61-6

>  <URL> (148)
http://www.selleck.cn/products/5-methylcytidine.html

$$$$

csChFnd80/06042114042D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1795    2.9668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3905    3.6693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0361    1.5741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8994    3.5335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    5.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6044    2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.2802    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0785    0.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    2.4911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5985    5.7719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1736    5.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153    3.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1006    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5721    2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    5.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292    2.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233    5.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  6  0  0  0
  7  9  1  0  0  0  0
  9 14  1  1  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (149)
5088

>  <Formula> (149)
C10H14N2O6

>  <MolWeight> (149)
258.22796

>  <Cat> (149)
S6156

>  <Name> (149)
5-Methyluridine

>  <Synonyms> (149)
|Ribothymidine, Ribosylthymine, Thymine riboside

>  <Target> (149)
Others

>  <Form> (149)
free base

>  <CAS> (149)
1463-10-1

>  <URL> (149)
http://www.selleck.cn/products/5-methyluridine.html

$$$$

csChFnd80/06042114042D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (150)
5108

>  <Formula> (150)
C6H5NO3

>  <MolWeight> (150)
139.1088

>  <Cat> (150)
S6252

>  <Name> (150)
3-Hydroxypicolinic acid

>  <Synonyms> (150)
N/A

>  <Target> (150)
Others

>  <Form> (150)
free base

>  <CAS> (150)
874-24-8

>  <URL> (150)
http://www.selleck.cn/products/3-hydroxypicolinic-acid.html

$$$$

csChFnd80/06042114042D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4148    2.0918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    2.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    4.1953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.0077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6238    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (151)
5112

>  <Formula> (151)
C4H5N3O

>  <MolWeight> (151)
111.102

>  <Cat> (151)
S6256

>  <Name> (151)
Isocytosine

>  <Synonyms> (151)
2-aminouracil

>  <Target> (151)
Others

>  <Form> (151)
free base

>  <CAS> (151)
108-53-2

>  <URL> (151)
http://www.selleck.cn/products/isocytosine.html

$$$$

csChFnd80/06042114042D

 46 48  0  0  0  0  0  0  0  0999 V2000
   11.8972   13.2740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3458   14.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5631   12.8494    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0286   12.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7309   14.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6296   15.7830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4371   13.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211   11.5234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1533   13.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652   15.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3662   17.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3180   12.8423    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7212   11.5095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9448   10.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7637   17.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8652   15.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   13.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911   10.3822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9382   12.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6189   12.8095    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1673   11.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2925   13.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   14.1252    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8005   11.1986    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.0777    9.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278   10.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5274   12.5611    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0309    8.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    7.5136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5841    6.9248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    6.4751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4245    5.5383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0564    5.2559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580    4.5940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4688    3.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1366    3.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7991    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    2.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8407    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4888    2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5035    0.5007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2096   12.5532    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.3346   14.2303    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  6  0  0  0
 32 35  1  1  0  0  0
 32 33  1  0  0  0  0
 33 36  1  6  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  END
>  <Mol_ID> (152)
5182

>  <Formula> (152)
C21H27N7Na2O14P2

>  <MolWeight> (152)
709.404642

>  <Cat> (152)
S6349

>  <Name> (152)
NADH, disodium salt hydrate

>  <Synonyms> (152)
N/A

>  <Target> (152)
Others

>  <Form> (152)
hydrate

>  <CAS> (152)
606-68-8

>  <URL> (152)
http://www.selleck.cn/products/nadh-disodium-salt-hydrate.html

$$$$

csChFnd80/06042114042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    2.0915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.1930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (153)
5201

>  <Formula> (153)
C5H7N3O

>  <MolWeight> (153)
125.12858

>  <Cat> (153)
S6021

>  <Name> (153)
5-Methylcytosine

>  <Synonyms> (153)
N/A

>  <Target> (153)
Others

>  <Form> (153)
free base

>  <CAS> (153)
554-01-8

>  <URL> (153)
http://www.selleck.cn/products/5-methylcytosine.html

$$$$

csChFnd80/06042114042D

 34 33  0  0  0  0  0  0  0  0999 V2000
   11.5564    5.6894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7029    4.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2224    5.2646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0037    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8425    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8429    3.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0629    6.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8030    3.9573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4231    7.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1290    5.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1361    2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9364    5.2785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3769    3.9573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6267    2.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2617    3.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2605    5.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5995    5.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5571    2.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6095    4.7041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2572    5.0665    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.8949    3.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049    5.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6196    6.4187    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5426    3.3518    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.9049    1.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903    2.9895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1802    4.7041    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9150    1.0096    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.9250    1.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049    0.0196    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2292    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7396    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.8333    6.4167    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (154)
5211

>  <Formula> (154)
C10H12N4Na3O14P3

>  <MolWeight> (154)
574.111273

>  <Cat> (154)
S6103

>  <Name> (154)
Inosine 5¡ä-triphosphate trisodium salt

>  <Synonyms> (154)
N/A

>  <Target> (154)
Others

>  <Form> (154)
trisodium salt

>  <CAS> (154)
35908-31-7

>  <URL> (154)
http://www.selleck.cn/products/inosine-5-triphosphate-trisodium-salt.html

$$$$

csChFnd80/06042114042D

 26 26  0  0  0  0  0  0  0  0999 V2000
    3.5473    3.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6760    4.1894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109    4.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    1.9681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0095    3.7630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2372    5.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8371    5.5123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1381    3.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1378    4.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4452    2.4370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9982    2.2102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2744    3.7754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8496    2.4421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6277    1.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6038    4.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6779    1.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6009    3.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9505    3.6054    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.3226    2.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784    4.9551    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3002    3.9775    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5733    3.9488    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.4574    4.9638    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 15 18  1  6  0  0  0
 15 16  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (155)
5235

>  <Formula> (155)
C10H12N5Na2O8P

>  <MolWeight> (155)
407.184281

>  <Cat> (155)
S6306

>  <Name> (155)
Guanosine 5'-monophosphate disodium salt

>  <Synonyms> (155)
5'-Guanylic acid disodium salt, guanylic acid disodium salt, guanosine monophosphate disodium salt

>  <Target> (155)
Others

>  <Form> (155)
disodium salt

>  <CAS> (155)
5550-12-9

>  <URL> (155)
http://www.selleck.cn/products/guanosine-5-monophosphate-disodium-salt.html

$$$$

csChFnd80/06042114042D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.3235    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    3.8623    4.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1937    3.5940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6278    2.2579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8048    1.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0326    2.2579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8554    1.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    3.5939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3303    4.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7982    4.0265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9346    3.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0711    4.0264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6348    5.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3422    6.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7397    6.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6435    7.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2326    7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284    6.5804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2318    5.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4673    3.6473    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.1603    4.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7743    3.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9656    2.3403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    4.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    6.0423    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760    6.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070    7.1303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 19  2  0  0  0  0
 10 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  2 22  1  0  0  0  0
A    1
?xNa?
M  END
>  <Mol_ID> (156)
5239

>  <Formula> (156)
C10H15N5O10P2R

>  <MolWeight> (156)
427.201122

>  <Cat> (156)
S6325

>  <Name> (156)
Adenosine 5¡ä-diphosphate sodium salt

>  <Synonyms> (156)
Adenosine diphosphate sodium salt, ADP sodium salt, Adenosine 5¡ä-pyrophosphate sodium salt, adenosin

>  <Target> (156)
Others

>  <Form> (156)
sodium salt

>  <CAS> (156)
20398-34-9

>  <URL> (156)
http://www.selleck.cn/products/adenosine-5-diphosphate-sodium-salt.html

$$$$

csChFnd80/06042114042D

 37 39  0  0  0  0  0  0  0  0999 V2000
   12.4280    6.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7280    5.1020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7336    7.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8256    6.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4272    3.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3273    5.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4280    8.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3279    7.5171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5242    7.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7265    2.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6296    3.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8192    8.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6307    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3210    2.6773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3293    9.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2279    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6211    1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2191    1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3201    0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3980    2.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3909    0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    2.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    2.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6049    0.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    2.8822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1877    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093    0.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1372    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1372    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5372    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7372    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (157)
5344

>  <Formula> (157)
C23H32N6O6S2

>  <MolWeight> (157)
552.66678

>  <Cat> (157)
S6452

>  <Name> (157)
Delavirdine (mesylate)

>  <Synonyms> (157)
N/A

>  <Target> (157)
Reverse Transcriptas

>  <Form> (157)
mesylate

>  <CAS> (157)
147221-93-0

>  <URL> (157)
http://www.selleck.cn/products/delavirdine.html

$$$$

csChFnd80/06042114042D

 50 52  0  0  0  0  0  0  0  0999 V2000
    6.0084    4.4790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6962    4.8412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0942    5.3386    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4970    3.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743    3.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    6.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2975    4.5876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0580    6.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8814    3.2485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4159    4.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929    2.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232    6.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5915    5.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2251    7.5284    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.7591    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    4.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2352    1.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5552    8.0532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586    6.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8271    8.8224    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1344    2.3889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858    2.7689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0211    1.3120    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.2970    1.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7088    0.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8812    0.5159    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.4101    1.0588    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.4958    1.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3781    0.0543    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.8080    1.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8938    2.3346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8121    3.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2509    1.9728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1153    4.2438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9930    3.1489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.7486    0.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4771    5.6011    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   20.3864    3.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8346    5.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4730    6.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1782    7.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8436    7.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1919    8.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5355    7.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5218    6.6599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8795    9.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6163    0.4840    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   15.6371    0.0698    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  6  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 22  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  6  0  0  0
 36 39  1  1  0  0  0
 36 37  1  0  0  0  0
 37 40  1  6  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 44 45  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
M  END
>  <Mol_ID> (158)
5367

>  <Formula> (158)
C21H26N7Na2O17P3

>  <MolWeight> (158)
787.368663

>  <Cat> (158)
S6480

>  <Name> (158)
Triphosphopyridine nucleotide disodium salt

>  <Synonyms> (158)
NADP disodium salt

>  <Target> (158)
Others

>  <Form> (158)
disodium salt

>  <CAS> (158)
24292-60-2

>  <URL> (158)
http://www.selleck.cn/products/triphosphopyridine-nucleotide-disodium-salt.html

$$$$

csChFnd80/06042114042D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9961    4.1923    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    4.4834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9557    5.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.2710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9349    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3273    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5782    6.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588    7.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    1.8457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1502    4.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    7.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4196    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0552    0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    2.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (159)
6646

>  <Formula> (159)
C15H18N2O9

>  <MolWeight> (159)
370.31142

>  <Cat> (159)
S6484

>  <Name> (159)
uridine triacetate

>  <Synonyms> (159)
vistonuridine, PN401

>  <Target> (159)
Others

>  <Form> (159)
triacetate

>  <CAS> (159)
4105-38-8

>  <URL> (159)
http://www.selleck.cn/products/uridine-triacetate.html

$$$$

csChFnd80/06042114042D

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.0884    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8760    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6633    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4548    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4548    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6712    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8765    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3009    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6712    4.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580    5.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580    6.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    7.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327    6.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327    5.5948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    7.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9701    8.9075    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3701    6.4826    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    8.3949    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204    4.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    7.2782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    6.9870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    5.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293    5.0253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    6.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0382    3.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2340    0.6928    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 16  1  0  0  0  0
 10 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 25 28  1  0  0  0  0
 21 24  1  0  0  0  0
 15 21  1  0  0  0  0
  9 11  1  0  0  0  0
  6  9  1  0  0  0  0
  4 29  1  0  0  0  0
M  END
>  <Mol_ID> (160)
6649

>  <Formula> (160)
C17H11ClF3N5O3

>  <MolWeight> (160)
425.7491496

>  <Cat> (160)
S6492

>  <Name> (160)
Doravirine (MK-1439)

>  <Synonyms> (160)
N/A

>  <Target> (160)
Reverse Transcriptas

>  <Form> (160)
free base

>  <CAS> (160)
1338225-97-0

>  <URL> (160)
http://www.selleck.cn/products/doravirine-mk-1439.html

$$$$

csChFnd80/06042114042D

 53 52  0  0  0  0  0  0  0  0999 V2000
    8.1734    1.9877    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   15.4099    2.7317    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.5856    2.2357    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.9977    2.4837    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   15.9846    0.2188    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.5835    4.5208    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.3596    4.9583    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   10.9169    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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 25 52  2  0  0  0  0
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 33 47  1  0  0  0  0
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6712

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C18H22N4Na4O23P4

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878.234404

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S6592

>  <Name> (161)
Diquafosol Tetrasodium

>  <Synonyms> (161)
INS-365

>  <Target> (161)
P2 Receptor

>  <Form> (161)
Tetrasodium

>  <CAS> (161)
211427-08-6

>  <URL> (161)
http://www.selleck.cn/products/diquafosol-tetrasodium.html

$$$$

csChFnd80/06042114042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (162)
6813

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C10H14N5O4P

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299.223021

>  <Cat> (162)
S6729

>  <Name> (162)
Besifovir

>  <Synonyms> (162)
N/A

>  <Target> (162)
Anti-infection

>  <Form> (162)
Free Base

>  <CAS> (162)
441785-25-7

>  <URL> (162)
http://www.selleck.cn/products/besifovir.html

$$$$

csChFnd80/06042114042D

 19 19  0  0  0  0  0  0  0  0999 V2000
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6877

>  <Formula> (163)
C11H15ClN2O5

>  <MolWeight> (163)
290.7002

>  <Cat> (163)
S2935

>  <Name> (163)
Nicotinamide Riboside Chloride

>  <Synonyms> (163)
N/A

>  <Target> (163)
Others

>  <Form> (163)
Chloride

>  <CAS> (163)
23111-00-4

>  <URL> (163)
http://www.selleck.cn/products/nicotinamide-riboside-chloride.html

$$$$

csChFnd80/06042114042D

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M  END
>  <Mol_ID> (164)
6923

>  <Formula> (164)
C45H73NO16

>  <MolWeight> (164)
884.05822

>  <Cat> (164)
S9144

>  <Name> (164)
Solasonine

>  <Synonyms> (164)
N/A

>  <Target> (164)
Immunology & Inflammation related

>  <Form> (164)
Free Base

>  <CAS> (164)
19121-58-5

>  <URL> (164)
http://www.selleck.cn/products/solasonine.html

$$$$

csChFnd80/06042114042D

 69 77  0  0  0  0  0  0  0  0999 V2000
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 16  9  1  0  0  0  0
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 62 61  1  0  0  0  0
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M  END
>  <Mol_ID> (165)
6924

>  <Formula> (165)
C45H73NO15

>  <MolWeight> (165)
868.05882

>  <Cat> (165)
S9145

>  <Name> (165)
Solamargine

>  <Synonyms> (165)
N/A

>  <Target> (165)
P-gp

>  <Form> (165)
Free Base

>  <CAS> (165)
20311-51-7

>  <URL> (165)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.4355    2.9559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5 10  2  0  0  0  0
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M  END
>  <Mol_ID> (166)
6960

>  <Formula> (166)
C9H12FN3O4

>  <MolWeight> (166)
245.2076832

>  <Cat> (166)
S2477

>  <Name> (166)
2'-Deoxy-5-Fluorocytidine

>  <Synonyms> (166)
5-fluoro-2(')-deoxycytidine, FCdR

>  <Target> (166)
DNA Methyltransferas

>  <Form> (166)
Free Base

>  <CAS> (166)
10356-76-0

>  <URL> (166)
http://www.selleckchem.com/products/2-feoxy-5-fluorocytidine.html

$$$$

csChFnd80/06042114042D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.6100    1.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 16 20  2  0  0  0  0
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  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
>  <Mol_ID> (167)
6979

>  <Formula> (167)
C13H19N3O7

>  <MolWeight> (167)
329.30586

>  <Cat> (167)
S8969

>  <Name> (167)
EIDD-2801

>  <Synonyms> (167)
N/A

>  <Target> (167)
Anti-infection

>  <Form> (167)
Free Base

>  <CAS> (167)
2349386-89-4

>  <URL> (167)
http://www.selleckchem.com/products/eidd-2801.html

$$$$

csChFnd80/06042114042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8028    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6377    2.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290    2.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9953    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0652    3.2751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3645    4.4871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4265    0.0014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    0.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    3.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9332    5.7664    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2799    4.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (168)
7094

>  <Formula> (168)
C10H13FN2O4

>  <MolWeight> (168)
244.2196232

>  <Cat> (168)
S6848

>  <Name> (168)
3'-Fluoro-3'-deoxythymidine (Alovudine)

>  <Synonyms> (168)
CL 184824, FddThd, FLT, MIV-310

>  <Target> (168)
Reverse Transcriptas

>  <Form> (168)
Free Base

>  <CAS> (168)
25526-93-6

>  <URL> (168)
http://www.selleckchem.com/products/3-fluoro-3-deoxythymidine.html

$$$$

csChFnd80/06042114042D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.5072    9.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196    7.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    9.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196   10.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757   10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    9.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    8.1640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    6.8325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4116    6.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.9999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7431    4.5673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5660    5.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2790    4.1770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7180    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7043    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    3.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660    5.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196   12.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  1  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 13 23  1  6  0  0  0
 14 24  1  6  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (169)
7106

>  <Formula> (169)
C17H18N4O4

>  <MolWeight> (169)
342.34922

>  <Cat> (169)
S8883

>  <Name> (169)
LLY-283

>  <Synonyms> (169)
N/A

>  <Target> (169)
PRMT

>  <Form> (169)
Free Base

>  <CAS> (169)
2040291-27-6

>  <URL> (169)
http://www.selleckchem.com/products/lly-283.html

$$$$

csChFnd80/06042114042D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.5168    3.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636    2.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    1.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    4.9283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    7.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.8549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636    2.4634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.1885    1.3322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    5.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3300    4.9788    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  1  0  0  0
 11  3  1  1  0  0  0
  4 13  1  0  0  0  0
 10  5  1  6  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (170)
7179

>  <Formula> (170)
C11H15ClN4O4

>  <MolWeight> (170)
302.7142

>  <Cat> (170)
S0787

>  <Name> (170)
3-Deazaadenosine hydrochloride

>  <Target> (170)
TNF-alpha

>  <Form> (170)
hydrochloride

>  <CAS> (170)
86583-19-9

>  <URL> (170)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/06042114042D

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.3951    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    0.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4132    1.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7447    1.7595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7447    3.1595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4132    3.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0858    3.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7231    3.9795    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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   18.5728    3.9795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5728    5.3795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3604    6.0795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1480    5.3795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3604    7.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7811    6.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9935    3.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  3  8  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 10 14  1  1  0  0  0
 11 15  1  1  0  0  0
 12 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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 26 27  1  0  0  0  0
 28 24  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 32 34  1  1  0  0  0
 30 35  1  1  0  0  0
 31 36  1  6  0  0  0
 33 37  1  6  0  0  0
 35 38  1  0  0  0  0
  9  4  1  6  0  0  0
M  END
>  <Mol_ID> (171)
7203

>  <Formula> (171)
C15H22N2Na2O17P2

>  <MolWeight> (171)
610.265442

>  <Cat> (171)
S3216

>  <Name> (171)
Uridine 5'-diphosphoglucose disodium salt

>  <Target> (171)
P2 Receptor

>  <Form> (171)
disodium

>  <CAS> (171)
28053-08-9

>  <URL> (171)
http://www.selleckchem.com/products/uridine-5-diphosphoglucose-disodium-salt.html

$$$$

csChFnd80/06042114042D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (172)
7278

>  <Formula> (172)
C6H6N4O2

>  <MolWeight> (172)
166.13744

>  <Cat> (172)
S6186

>  <Name> (172)
3-Methylxanthine

>  <Target> (172)
PDE

>  <Form> (172)
free base

>  <CAS> (172)
1076-22-8

>  <URL> (172)
http://www.selleckchem.com/products/3-methylxanthine.html

$$$$

csChFnd80/06042114042D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   12.6851    4.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4726    2.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0478    4.1498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421   10.1280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842   12.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8641    8.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5923   11.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062   11.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2602    4.8498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2602    6.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4726    4.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8353    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1354    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2355    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8975    4.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9354    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1100    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3224    4.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1099    6.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5347    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3224    6.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5349    6.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  1 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
 16  5  1  1  0  0  0
  6 20  1  0  0  0  0
  7 28  1  0  0  0  0
  8 22  2  0  0  0  0
 10 27  1  0  0  0  0
 10 31  1  0  0  0  0
 11 27  2  0  0  0  0
 19 12  1  6  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 25 13  1  1  0  0  0
 14 22  1  0  0  0  0
 14 24  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  6  0  0  0
 18 19  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  2  0  0  0  0
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 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (173)
7363

>  <Formula> (173)
C25H27F2N4O8P

>  <MolWeight> (173)
580.4744474

>  <Cat> (173)
S9649

>  <Name> (173)
Acelarin (NUC-1031)

>  <Target> (173)
DNA/RNA Synthesis

>  <Form> (173)
free base

>  <CAS> (173)
840506-29-8

>  <URL> (173)
http://www.selleckchem.com/products/acelarin-nuc-1031.html

$$$$

csChFnd80/06042114042D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (174)
7373

>  <Formula> (174)
C5H5N5

>  <MolWeight> (174)
135.1267

>  <Cat> (174)
S1981

>  <Name> (174)
Adenine

>  <Synonyms> (174)
N/A

>  <Target> (174)
DNA/RNA Synthesis

>  <Form> (174)
Free Base

>  <CAS> (174)
73-24-5

>  <URL> (174)
https://www.selleckchem.com/products/adenine.html

$$$$

csChFnd80/06042114042D

 78 87  0  0  0  0  0  0  0  0999 V2000
   13.3341    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9091    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1216    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6968    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9091    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3244    6.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2720    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.4847    9.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9096    9.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3962    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1839    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3962    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1839    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7589    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7589    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1839    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   20.6087    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.9714    3.4998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9714    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3069    6.0324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5194    6.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5194    8.1324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3069    8.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0946    8.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0946    6.7324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.7317    8.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0946    5.3324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6087    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.6087    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5466    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   22.7632    4.8998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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 13 10  1  1  0  0  0
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 54 62  1  0  0  0  0
 54 55  1  6  0  0  0
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 58 72  1  0  0  0  0
 58 77  1  0  0  0  0
 60 58  1  0  0  0  0
 58 59  1  6  0  0  0
 69 60  1  0  0  0  0
 60 61  1  6  0  0  0
 62 75  1  0  0  0  0
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 69 64  1  1  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 66 70  1  6  0  0  0
 67 68  1  0  0  0  0
 69 68  1  6  0  0  0
 69 71  1  0  0  0  0
 77 71  1  0  0  0  0
 72 73  1  1  0  0  0
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 75 76  1  6  0  0  0
 77 78  1  6  0  0  0
M  END
>  <Mol_ID> (175)
7447

>  <Formula> (175)
C50H83NO21

>  <MolWeight> (175)
1034.18812

>  <Cat> (175)
S9444

>  <Name> (175)
Tomatine

>  <Synonyms> (175)
lycopersicin

>  <Target> (175)
Anti-infection

>  <Form> (175)
Free Base

>  <CAS> (175)
17406-45-0

>  <URL> (175)
https://www.selleckchem.com/products/tomatine.html

$$$$

csChFnd80/06042114042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1444    3.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9645    4.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142    3.5954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9877    2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070    1.3300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1398    1.7583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2697    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    5.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6138    7.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012    4.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
 11  2  1  1  0  0  0
  3 13  1  0  0  0  0
 17  4  1  1  0  0  0
  9  5  1  6  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  2  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (176)
7450

>  <Formula> (176)
C11H16N4O4

>  <MolWeight> (176)
268.26914

>  <Cat> (176)
S9521

>  <Name> (176)
Pentostatin

>  <Synonyms> (176)
N/A

>  <Target> (176)
DNA/RNA synthesis

>  <Form> (176)
Free Base

>  <CAS> (176)
53910-25-1

>  <URL> (176)
https://www.selleckchem.com/products/pentostatin.html

$$$$

csChFnd80/06042114042D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082   14.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   12.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   12.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   14.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   15.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.0051    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    8.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9354    3.0276    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9354    4.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3859    3.7276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3386    2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9183    0.8200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0470    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 12 19  1  0  0  0  0
 20 16  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 22 25  1  1  0  0  0
 21 26  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 27  1  6  0  0  0
M  END
>  <Mol_ID> (177)
7517

>  <Formula> (177)
C18H18ClIN6O4

>  <MolWeight> (177)
544.73079

>  <Cat> (177)
S0498

>  <Name> (177)
Namodenoson (CF-102)

>  <Synonyms> (177)
2-Cl-IB-MECA

>  <Target> (177)
Adenosine Receptor

>  <Form> (177)
Free Base

>  <CAS> (177)
163042-96-4

>  <URL> (177)
https://www.selleckchem.com/products/namodenoson-cf-102.html

$$$$

csChFnd80/06042114042D

 35 34  0  0  0  0  0  0  0  0999 V2000
   11.2073    4.9554    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.8171    3.1418    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.4269    1.3284    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.3977    3.5553    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   17.0016    0.8377    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.6708    0.0163    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1306    6.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6309    9.6935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6767    9.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8789    5.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5358    4.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7652    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6492    6.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0985    1.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1885    3.4233    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.4457    2.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7553    0.8864    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.9850    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8689    2.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2690    7.2108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5974    6.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5499    7.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310    5.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    6.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370    7.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351    9.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  2  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  2  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  2  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
 26  8  1  6  0  0  0
 27  9  1  6  0  0  0
 10 30  1  0  0  0  0
 14 34  2  0  0  0  0
 28 21  1  1  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 32  2  0  0  0  0
 22 33  1  0  0  0  0
 23 31  1  0  0  0  0
 23 35  2  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 25 35  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  1  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (178)
7582

>  <Formula> (178)
C10H13N5Na3O14P3

>  <MolWeight> (178)
589.125913

>  <Cat> (178)
S3084

>  <Name> (178)
Guanosine 5'-triphosphate trisodium sa

>  <Synonyms> (178)
5'-GTP trisodium salt, Guanosine triphosphate, H4GTP

>  <Target> (178)
others

>  <Form> (178)
Trisodium sal

>  <CAS> (178)
36051-31-7

>  <URL> (178)
https://www.selleckchem.com/products/guanosine-5-triphosphate-trisodium-salt.htm

$$$$

csChFnd80/06042114042D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6370    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4220    2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    4.2016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    2.8033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9958    4.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3654    4.4848    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0643    3.2717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1266    2.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9360    5.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4565    3.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2794    4.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6718    4.1104    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8181    5.5027    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0641    3.9641    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.5254    2.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1892    5.5415    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.3550    4.0001    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  5  8  2  0  0  0  0
  9  4  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  6  0  0  0
 12 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (179)
7619

>  <Formula> (179)
C9H11N2Na2O8P

>  <MolWeight> (179)
352.145541

>  <Cat> (179)
S3169

>  <Name> (179)
2'-Deoxyuridine 5'-monophosphate disod

>  <Synonyms> (179)
dUMP

>  <Target> (179)
others

>  <Form> (179)
Disodium salt

>  <CAS> (179)
42155-08-8

>  <URL> (179)
https://www.selleckchem.com/products/2-deoxyuridine-5-monophosphate-disodium-sal

$$$$

csChFnd80/06042114042D

 23 22  0  0  0  0  0  0  0  0999 V2000
   10.4609    3.9897    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.0433    4.1313    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.3115    5.4086    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.1284    3.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681    3.8923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451    5.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8537    4.0871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.3635    5.3825    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.5583    2.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    3.6539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    5.7526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
 14  5  1  1  0  0  0
  6 18  1  0  0  0  0
  7 20  2  0  0  0  0
  8 22  2  0  0  0  0
 16 12  1  6  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 20  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  6  0  0  0
 16 17  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (180)
7621

>  <Formula> (180)
C10H13N2Na2O8P

>  <MolWeight> (180)
366.172121

>  <Cat> (180)
S3221

>  <Name> (180)
Thymidine 5'-monophosphate disodium sa

>  <Synonyms> (180)
5'-Thymidylic acid disodium salt

>  <Target> (180)
others

>  <Form> (180)
Disodium salt

>  <CAS> (180)
33430-62-5

>  <URL> (180)
https://www.selleckchem.com/products/thymidine-5-monophosphate-disodium-salt.htm

$$$$

csChFnd80/06042114042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.2664   11.2258    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636    6.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6532    7.9086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6967    9.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360   12.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986   11.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341   10.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    3.9266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    1.6733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5191    7.0876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1845    5.2573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1884    7.5225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5167    5.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    8.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
 13  3  1  1  0  0  0
  4 17  1  0  0  0  0
 14  8  1  6  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 19  2  0  0  0  0
  9 20  1  0  0  0  0
 10 18  2  0  0  0  0
 10 22  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (181)
7622

>  <Formula> (181)
C10H14N5O6P

>  <MolWeight> (181)
331.221821

>  <Cat> (181)
S3248

>  <Name> (181)
2'-Deoxyadenosine 5'-monophosphate

>  <Synonyms> (181)
5'-dAMP

>  <Target> (181)
others

>  <Form> (181)
Free Base

>  <CAS> (181)
653-63-4

>  <URL> (181)
https://www.selleckchem.com/products/2-deoxyadenosine-5-monophosphate.html

$$$$

csChFnd80/06042114042D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.2611    1.1326    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    4.5831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    2.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9477    6.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0840    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937    1.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285    0.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    6.8060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    8.9060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229   11.0060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.2515    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2229    3.2515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3903    4.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    5.4060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0459    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3105    7.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    7.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3105    8.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    9.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
 12  3  1  1  0  0  0
  4 16  1  0  0  0  0
  5 18  2  0  0  0  0
 15  9  1  6  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 18  1  0  0  0  0
 10 20  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  6  0  0  0
 14 15  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (182)
7624

>  <Formula> (182)
C9H14N3O7P

>  <MolWeight> (182)
307.197121

>  <Cat> (182)
S3268

>  <Name> (182)
2'-Deoxycytidine 5'-monophosphate

>  <Synonyms> (182)
N/A

>  <Target> (182)
others

>  <Form> (182)
Free Base

>  <CAS> (182)
1032-65-1

>  <URL> (182)
https://www.selleckchem.com/products/2-deoxycytidine-5-monophosphate.html

$$$$

csChFnd80/06042114042D

 26 25  0  0  0  0  0  0  0  0999 V2000
    4.3964   11.2259    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6284   12.4983    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.8453   11.6607    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.4937    6.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7780    4.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7833    7.9087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8268    9.8938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3424    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9662   12.5581    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7287   11.6563    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0642   10.7957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797    3.9266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797    1.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3424    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6468    5.6877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6493    7.0877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3145    5.2573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3184    7.5227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8882    8.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6967    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3424    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
 17  5  1  1  0  0  0
 18  6  1  1  0  0  0
  7 21  1  0  0  0  0
  8 25  2  0  0  0  0
 19 13  1  6  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 23  2  0  0  0  0
 14 24  1  0  0  0  0
 15 22  1  0  0  0  0
 15 26  2  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (183)
7642

>  <Formula> (183)
C10H13N4Na2O9P

>  <MolWeight> (183)
410.184921

>  <Cat> (183)
S3327

>  <Name> (183)
Disodium 5'-inosinate monohydrate

>  <Synonyms> (183)
Inosine 5'-monophosphate disodium salt hydrate

>  <Target> (183)
others

>  <Form> (183)
Monohydrate

>  <CAS> (183)
352195-40-5

>  <URL> (183)
https://www.selleckchem.com/products/disodium-5-inosinate-monohydrate.html

$$$$

csChFnd80/06042114042D

 27 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1416    2.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0816    3.2799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3792    4.4966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0050    4.2045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4740    3.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2969    4.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6892    4.1199    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.0815    3.9735    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.6839    4.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1145    6.0816    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.8355    5.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5451    7.3606    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3935    6.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5429    2.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9646    5.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9486    5.7756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9678    3.0171    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.4020    7.4122    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 16 23  2  0  0  0  0
  9  5  1  1  0  0  0
 11 14  1  1  0  0  0
 13 24  1  6  0  0  0
 12 25  1  6  0  0  0
M  END
>  <Mol_ID> (184)
7679

>  <Formula> (184)
C9H12N2Na2O12P2

>  <MolWeight> (184)
448.124842

>  <Cat> (184)
S3368

>  <Name> (184)
Uridine-5'-diphosphate disodium salt

>  <Synonyms> (184)
UDP disodium salt

>  <Target> (184)
P2 Receptor

>  <Form> (184)
Disodium salt

>  <CAS> (184)
27821-45-0

>  <URL> (184)
https://www.selleckchem.com/products/uridine-5-diphosphate-disodium-salt.html

$$$$

csChFnd80/06042114042D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.1550    5.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4912    6.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7139    4.5246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3391    6.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4957    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6999    5.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3784    4.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5299    3.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1690    8.1185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7168    8.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9106    6.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3733    2.7002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7000    2.2594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9298    3.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9260    7.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7168    9.7748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376    1.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1238    0.9251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9608    2.4558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    2.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.3929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1357    1.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5536    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946    3.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (185)
7708

>  <Formula> (185)
C14H20N6O5S

>  <MolWeight> (185)
384.4108

>  <Cat> (185)
S7868

>  <Name> (185)
S-Adenosyl-L-homocysteine (SAH)

>  <Synonyms> (185)
S-Adenosylhomocysteine, AdoHcy, Formycinylhomocysteine

>  <Target> (185)
Histone Methyltransferase

>  <Form> (185)
Free Base

>  <CAS> (185)
979-92-0

>  <URL> (185)
https://www.selleckchem.com/products/s-adenosyl-l-homocysteine.html

$$$$

csChFnd80/06042114042D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.3637    6.3916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968    9.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.9267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    1.6733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    5.2574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5168    5.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5192    7.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1885    7.5228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7582    8.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  8  3  1  6  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  4 15  1  0  0  0  0
  5 13  2  0  0  0  0
  5 17  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (186)
7796

>  <Formula> (186)
C10H13N5O2

>  <MolWeight> (186)
235.24252

>  <Cat> (186)
S5979

>  <Name> (186)
2',3'-Dideoxyadenosine

>  <Synonyms> (186)
ddA, ddAdo

>  <Target> (186)
Anti-infection

>  <Form> (186)
Free Base

>  <CAS> (186)
4097-22-7

>  <URL> (186)
http://www.selleckchem.com/products/2-3-dideoxyadenosine.html

$$$$

csChFnd80/06042114042D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.0830    8.1731    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.4950    8.4225    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.9071    8.6719    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5346    5.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9740    6.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712    8.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9490    7.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2170    8.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650    7.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2621    9.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7730    7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6276    9.9932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9234    7.1445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0411    9.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7280    7.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0861    9.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7627    3.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7627    1.6744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    4.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740    6.4053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2016    7.5393    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1977    5.2661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5370    7.1028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6710    7.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  2  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
 22  5  1  6  0  0  0
 23  6  1  6  0  0  0
  7 26  1  0  0  0  0
 24 17  1  1  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 28  2  0  0  0  0
 18 29  1  0  0  0  0
 19 27  2  0  0  0  0
 19 31  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  2  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (187)
7827

>  <Formula> (187)
C10H16N5O13P3

>  <MolWeight> (187)
507.181023

>  <Cat> (187)
S5260

>  <Name> (187)
ATP

>  <Synonyms> (187)
Adenosine-Triphosphate, Adenosine 5'-triphosphate

>  <Target> (187)
Immunology & Inflammation related

>  <Form> (187)
Free Base

>  <CAS> (187)
56-65-5

>  <URL> (187)
http://www.selleckchem.com/products/atp.html

$$$$

csChFnd80/06042114042D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.9320    1.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530    0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5204    1.7640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1890    1.3314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3661    2.4640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9661    2.4640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    3.5967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5204    3.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    7.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.8607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.6607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 12 18  1  0  0  0  0
  9 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (188)
7831

>  <Formula> (188)
C12H18N6O3

>  <MolWeight> (188)
294.30972

>  <Cat> (188)
S9631

>  <Name> (188)
Puromycin aminonucleoside

>  <Synonyms> (188)
NSC 3056, PAN, Stylomycin aminonucleoside, ARDMA, SAN

>  <Target> (188)
DPP-2

>  <Form> (188)
Free Base

>  <CAS> (188)
58-60-6

>  <URL> (188)
http://www.selleckchem.com/products/puromycin-aminonucleoside.html

$$$$
