decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/12231915312D

 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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (1)
123

>  <Formula> (1)
C8H12N4O4

>  <MolWeight> (1)
228.20528

>  <Cat> (1)
S1200

>  <Name> (1)
Decitabine

>  <Synonyms> (1)
Dacogen

>  <Target> (1)
DNA/RNA Synthesis

>  <Form> (1)
Free Base

>  <CAS> (1)
2353-33-5

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

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/12231915312D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2)
172

>  <Formula> (2)
C18H20O2

>  <MolWeight> (2)
268.3502

>  <Cat> (2)
S1859

>  <Name> (2)
Diethylstilbestrol

>  <Synonyms> (2)
Stilbestrol

>  <Target> (2)
Estrogen/progestogen Receptor

>  <Form> (2)
Free Base

>  <CAS> (2)
56-53-1

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

$$$$
Streptozocin.cdx
csChFnd80/12231915312D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  4  8  1  1  0  0  0
  2  9  1  1  0  0  0
  5 10  1  6  0  0  0
  3 11  1  6  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (3)
211

>  <Formula> (3)
C8H15N3O7

>  <MolWeight> (3)
265.2206

>  <Cat> (3)
S1312

>  <Name> (3)
Streptozotocin (STZ)

>  <Synonyms> (3)
NSC-85998

>  <Target> (3)
DNA alkylator

>  <Form> (3)
Free Base

>  <CAS> (3)
18883-66-4

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

$$$$
Acitretin.cdx
csChFnd80/12231915312D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4024    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
    3.6415    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
>  <Mol_ID> (4)
238

>  <Formula> (4)
C21H26O3

>  <MolWeight> (4)
326.42934

>  <Cat> (4)
S1368

>  <Name> (4)
Acitretin

>  <Synonyms> (4)
Etretin, RO 10-1670

>  <Target> (4)
Retinoid Receptor

>  <Form> (4)
Free Base

>  <CAS> (4)
55079-83-9

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

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/12231915312D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    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  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 17 26  1  6  0  0  0
 17 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (5)
413

>  <Formula> (5)
C22H28O5

>  <MolWeight> (5)
372.45472

>  <Cat> (5)
S1689

>  <Name> (5)
Betapar (Meprednisone)

>  <Synonyms> (5)
Betanisona

>  <Target> (5)
Glucocorticoid Receptor

>  <Form> (5)
Free Base

>  <CAS> (5)
1247-42-3

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

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/12231915312D

 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> (6)
455

>  <Formula> (6)
C5H5N5S

>  <MolWeight> (6)
167.1917

>  <Cat> (6)
S1774

>  <Name> (6)
Thioguanine

>  <Synonyms> (6)
6-Thioguanine

>  <Target> (6)
Others

>  <Form> (6)
Free Base

>  <CAS> (6)
154-42-7

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/12231915312D

 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
    5.0673    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  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (7)
459

>  <Formula> (7)
C8H12N4O5

>  <MolWeight> (7)
244.20468

>  <Cat> (7)
S1782

>  <Name> (7)
Azacitidine (Vidaza)

>  <Synonyms> (7)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (7)
DNA/RNA Synthesis

>  <Form> (7)
Free Base

>  <CAS> (7)
320-67-2

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

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/12231915312D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (8)
597

>  <Formula> (8)
C22H18O11

>  <MolWeight> (8)
458.37172

>  <Cat> (8)
S2250

>  <Name> (8)
(-)-Epigallocatechin gallate

>  <Synonyms> (8)
EGCG

>  <Target> (8)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (8)
Free Base

>  <CAS> (8)
989-51-5

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

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/12231915312D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
 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 17  3  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
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (9)
728

>  <Formula> (9)
C21H26ClN

>  <MolWeight> (9)
327.89084

>  <Cat> (9)
S2557

>  <Name> (9)
Terbinafine hydrochloride (Lamisil)

>  <Synonyms> (9)
Zabel

>  <Target> (9)
Antifection

>  <Form> (9)
Hydrochloride

>  <CAS> (9)
78628-80-5

>  <URL> (9)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

$$$$
RG108.cdx
csChFnd80/12231915312D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.9792    4.6632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    7.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6792    5.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    3.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9050    2.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2411    2.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2411    4.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6129    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6569    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9931    0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2852    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    5.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2768    3.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  2  0  0  0  0
  1 26  1  1  0  0  0
M  END
>  <Mol_ID> (10)
965

>  <Formula> (10)
C19H14N2O4

>  <MolWeight> (10)
334.32546

>  <Cat> (10)
S2821

>  <Name> (10)
RG108

>  <Synonyms> (10)
N/A 

>  <Target> (10)
Transferases

>  <Form> (10)
Free Base

>  <CAS> (10)
48208-26-0

>  <URL> (10)
http://www.selleckchem.com/products/rg108.html

$$$$
Entacapone.cdx
csChFnd80/12231915312D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  5  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 16  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
  3 10  1  0  0  0  0
 21 22  3  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (11)
1042

>  <Formula> (11)
C14H15N3O5

>  <MolWeight> (11)
305.286

>  <Cat> (11)
S3147

>  <Name> (11)
Entacapone

>  <Synonyms> (11)
N/A 

>  <Target> (11)
Histone Methyltransferase

>  <Form> (11)
Free Base

>  <CAS> (11)
130929-57-6

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

$$$$
Tolcapone.cdx
csChFnd80/12231915312D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  3  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
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (12)
1279

>  <Formula> (12)
C14H11NO5

>  <MolWeight> (12)
273.24084

>  <Cat> (12)
S4021

>  <Name> (12)
Tolcapone

>  <Synonyms> (12)
N/A

>  <Target> (12)
Transferase

>  <Form> (12)
Free Base

>  <CAS> (12)
134308-13-7

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

$$$$
sodium phenylbutyrate.cdx
csChFnd80/12231915312D

 13 13  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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (13)
1334

>  <Formula> (13)
C10H11NaO2

>  <MolWeight> (13)
186.18291

>  <Cat> (13)
S4125

>  <Name> (13)
Sodium Phenylbutyrate

>  <Synonyms> (13)
N/A

>  <Target> (13)
HDAC

>  <Form> (13)
Sodium Salt

>  <CAS> (13)
1716-12-7

>  <URL> (13)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
Phenothiazine.cdx
csChFnd80/12231915312D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4326    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    2.7821    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    2.0764    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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (14)
1453

>  <Formula> (14)
C12H9NS

>  <MolWeight> (14)
199.27156

>  <Cat> (14)
S4251

>  <Name> (14)
Phenothiazine

>  <Synonyms> (14)
N/A

>  <Target> (14)
Dopamine Receptor

>  <Form> (14)
Free Base

>  <CAS> (14)
92-84-2

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

$$$$
Terbinafine.cdx
csChFnd80/12231915312D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8882    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0938    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3016    5.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0945    7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3062    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  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  1  0  0  0  0
M  END
>  <Mol_ID> (15)
1481

>  <Formula> (15)
C21H25N

>  <MolWeight> (15)
291.4299

>  <Cat> (15)
S1725

>  <Name> (15)
Terbinafine

>  <Synonyms> (15)
Lamisil, Terbinex, Corbinal, Zabel

>  <Target> (15)
Antifection

>  <Form> (15)
Free Base

>  <CAS> (15)
91161-71-6

>  <URL> (15)
http://www.selleckchem.com/products/Terbinafine(Lamisil).html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/12231915312D

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    4.9980    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (16)
1522

>  <Formula> (16)
C13H22ClN3O

>  <MolWeight> (16)
271.78628

>  <Cat> (16)
S4294

>  <Name> (16)
Procainamide HCl

>  <Synonyms> (16)
N/A

>  <Target> (16)
Sodium Channel

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
614-39-1

>  <URL> (16)
http://www.selleckchem.com/products/procainamide-hcl.html

$$$$
Sertaconazole nitrate.cdx
csChFnd80/12231915312D

 31 33  0  0  0  0  0  0  0  0999 V2000
   11.1920    5.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3661    4.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0038    3.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6057    2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1040    4.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7517    4.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3894    5.9969    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3793    6.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0170    8.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0069    9.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3592    8.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7216    7.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7316    6.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3492    9.9567    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6647    8.7015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0371    6.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    5.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    6.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    6.7930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6874    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.3874    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    1.2124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
  7  8  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 18 26  2  0  0  0  0
 19 23  2  0  0  0  0
 26 27  1  0  0  0  0
 17 20  1  0  0  0  0
  7 16  1  0  0  0  0
  5  6  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (17)
1556

>  <Formula> (17)
C20H16Cl3N3O4S

>  <MolWeight> (17)
500.78274

>  <Cat> (17)
S3161

>  <Name> (17)
Sertaconazole nitrate

>  <Synonyms> (17)
FI-7045

>  <Target> (17)
Antifection

>  <Form> (17)
Nitrate

>  <CAS> (17)
99592-39-9

>  <URL> (17)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

$$$$

csChFnd80/12231915312D

 29 27  0  0  0  0  0  0  0  0999 V2000
   11.8884    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8884    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4462    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
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  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (18)
1631

>  <Formula> (18)
C20H28Cl3N3O3

>  <MolWeight> (18)
464.81362

>  <Cat> (18)
S4589

>  <Name> (18)
Amodiaquin (dihydrochloride dihydrate)

>  <Synonyms> (18)
N/A

>  <Target> (18)
Transferase,Histone

>  <Form> (18)
dihydrochloride dihydrate

>  <CAS> (18)
6398-98-7

>  <URL> (18)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/12231915312D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.9188    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 21 22  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (19)
1642

>  <Formula> (19)
C21H22ClNR

>  <MolWeight> (19)
323.85908

>  <Cat> (19)
S4635

>  <Name> (19)
Cyproheptadine hydrochloride

>  <Synonyms> (19)
Periactin hydrochloride, Peritol

>  <Target> (19)
5-HT Receptor

>  <Form> (19)
Hydrochloride Sesquihydrate

>  <CAS> (19)
41354-29-4

>  <URL> (19)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

$$$$
S4668 Procaine.cdx
csChFnd80/12231915312D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    4.8498    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1241    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (20)
1689

>  <Formula> (20)
C13H20N2O2

>  <MolWeight> (20)
236.3101

>  <Cat> (20)
S4668

>  <Name> (20)
Procaine

>  <Synonyms> (20)
Procaine, Novocaine, Vitamin H3, Duracaine, Spinocaine

>  <Target> (20)
Sodium Channel

>  <Form> (20)
Free Base

>  <CAS> (20)
59-46-1

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

$$$$
Azatadine dimaleate.cdx
csChFnd80/12231915312D

 38 39  0  0  0  0  0  0  0  0999 V2000
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    5.7070    5.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1034    5.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8891    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    8.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8822    8.3639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    4.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386    4.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    6.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1248   11.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  2  0  0  0  0
  1 11  1  0  0  0  0
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 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 31 35  2  0  0  0  0
 31 36  1  0  0  0  0
 34 37  2  0  0  0  0
 34 38  1  0  0  0  0
M  END
>  <Mol_ID> (21)
1742

>  <Formula> (21)
C28H30N2O8

>  <MolWeight> (21)
522.5464

>  <Cat> (21)
S3186

>  <Name> (21)
Azatadine dimaleate

>  <Synonyms> (21)
SCH10649

>  <Target> (21)
Histamine Receptor

>  <Form> (21)
Dimaleate

>  <CAS> (21)
3978-86-7

>  <URL> (21)
http://www.selleckchem.com/products/azatadine-dimaleate.html

$$$$
S3722 Isavuconazole.cdx
csChFnd80/12231915312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    4.9969    3.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    5.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3894    2.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2837    8.7904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0713    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309    8.5536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9927    7.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  3  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11  5  1  0  0  0  0
 14 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  0  0  0  0
 15 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 16 30  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (22)
1838

>  <Formula> (22)
C22H17F2N5OS

>  <MolWeight> (22)
437.4650864

>  <Cat> (22)
S3722

>  <Name> (22)
Isavuconazole

>  <Synonyms> (22)
BAL-4815, RO-0094815

>  <Target> (22)
Antifection

>  <Form> (22)
free base

>  <CAS> (22)
241479-67-4

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

$$$$
S3639 Tacrine hydrochloride hydrate.cdx
csChFnd80/12231915312D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    2.4488    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    0.9175    0.0000 R   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 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
A   16
?xHCl?
A   17
?xH2O?
M  END
>  <Mol_ID> (23)
1864

>  <Formula> (23)
C13H14N2R2

>  <MolWeight> (23)
198.26366

>  <Cat> (23)
S3639

>  <Name> (23)
Tacrine hydrochloride hydrate

>  <Synonyms> (23)
Tacrine, Tetrahydroaminacrine, Tetrahydroaminoacridine

>  <Target> (23)
cholinesterase

>  <Form> (23)
hydrochloride hydrate

>  <CAS> (23)
206658-92-6

>  <URL> (23)
http://www.selleckchem.com/products/tacrine-hydrochloride-hydrate.html

$$$$
S4800 Daminozide.cdx
csChFnd80/12231915312D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (24)
2052

>  <Formula> (24)
C6H12N2O3

>  <MolWeight> (24)
160.17108

>  <Cat> (24)
S4800

>  <Name> (24)
Daminozide

>  <Synonyms> (24)
Aminozide, Succinic Acid

>  <Target> (24)
PHF8,KDM2A 

>  <Form> (24)
free base

>  <CAS> (24)
1596-84-5

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

$$$$
S3879 kaempferide.cdx
csChFnd80/12231915312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (25)
2123

>  <Formula> (25)
C16H12O6

>  <MolWeight> (25)
300.26288

>  <Cat> (25)
S3879

>  <Name> (25)
kaempferide

>  <Synonyms> (25)
4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether

>  <Target> (25)
Others

>  <Form> (25)
free base

>  <CAS> (25)
491-54-3
491-54-3

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

$$$$
Clindamycin.cdx
csChFnd80/12231915312D

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7576    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    4.4810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    5.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  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 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (26)
2230

>  <Formula> (26)
C18H33ClN2O5S

>  <MolWeight> (26)
424.98302

>  <Cat> (26)
S2830

>  <Name> (26)
Clindamycin

>  <Synonyms> (26)
N/A

>  <Target> (26)
Others

>  <CAS> (26)
18323-44-9

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

$$$$
GSK J4 HCL.cdx
csChFnd80/12231915312D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.9570    4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930    2.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0956    3.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996    5.1221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015    5.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9688    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4041    0.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9972    6.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    6.3408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0845    7.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3809    8.7646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726    8.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846    7.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4796    7.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5886    6.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2795    7.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5705    8.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1737    8.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2751    9.9638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8771    9.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    8.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7901    8.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0874    7.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    9.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7031    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3365    3.1160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  3  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 16 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
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (27)
2307

>  <Formula> (27)
C24H28ClN5O2

>  <MolWeight> (27)
453.96442

>  <Cat> (27)
S7070

>  <Name> (27)
GSK J4 HCl

>  <Synonyms> (27)
N/A

>  <Target> (27)
Histone Demethylase

>  <Form> (27)
Hydrochloride

>  <CAS> (27)
1373423-53-0(free base)

>  <URL> (27)
http://www.selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
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>  <Name> (28)
Zebularine

>  <Synonyms> (28)
N/A

>  <Target> (28)
DNA Methyltransferase

>  <Form> (28)
Free Base

>  <CAS> (28)
654065

>  <URL> (28)
https://www.selleckchem.com/products/zebularine.html

$$$$
EPZ004777.cdx
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>  <Name> (29)
EPZ004777

>  <Synonyms> (29)
N/A

>  <Target> (29)
Histone Methyltransferase

>  <Form> (29)
Free Base

>  <CAS> (29)
1338466-77-5

>  <URL> (29)
https://www.selleckchem.com/products/epz004777.html

$$$$
AGI5198.cdx
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AGI-5198

>  <Synonyms> (30)
IDH-C35

>  <Target> (30)
Dehydrogenase

>  <Form> (30)
Free Base

>  <CAS> (30)
1355326-35-0

>  <URL> (30)
http://www.selleckchem.com/products/agi-5198.html

$$$$
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>  <Mol_ID> (31)
2506

>  <Formula> (31)
C32H37N5O3

>  <MolWeight> (31)
539.66788

>  <Cat> (31)
S7004

>  <Name> (31)
EPZ005687

>  <Synonyms> (31)
N/A

>  <Target> (31)
Histone Methyltransferase

>  <Form> (31)
Free Base

>  <CAS> (31)
1396772-26-1

>  <URL> (31)
http://www.selleckchem.com/products/epz005687.html

$$$$
OAC1.cdx
csChFnd80/12231915312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (32)
2523

>  <Formula> (32)
C14H11N3O

>  <MolWeight> (32)
237.25664

>  <Cat> (32)
S7217

>  <Name> (32)
OAC1

>  <Synonyms> (32)
Oct4-activating Compound 1

>  <Target> (32)
Others

>  <Form> (32)
Free Base

>  <CAS> (32)
300586-90-7

>  <URL> (32)
http://www.selleckchem.com/products/oac1.html

$$$$
SGC 0946.cdx
csChFnd80/12231915312D

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    0.0000    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6451    5.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3570    1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6779    3.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
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 25 30  1  6  0  0  0
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 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
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 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
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 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (33)
2532

>  <Formula> (33)
C28H40BrN7O4

>  <MolWeight> (33)
618.5657

>  <Cat> (33)
S7079

>  <Name> (33)
SGC 0946

>  <Synonyms> (33)
N/A

>  <Target> (33)
Histone Methyltransferase

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
SGI-1027.cdx
csChFnd80/12231915312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
2539

>  <Formula> (34)
C27H23N7O

>  <MolWeight> (34)
461.51782

>  <Cat> (34)
S7276

>  <Name> (34)
SGI-1027

>  <Synonyms> (34)
DNA Methyltransferase Inhibitor II

>  <Target> (34)
DNA Methyltransferase

>  <Form> (34)
Free Base

>  <CAS> (34)
1020149-73-8

>  <URL> (34)
http://www.selleckchem.com/products/sgi-1027.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/12231915312D

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Tazemetostat (EPZ-6438)

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E7438

>  <Target> (35)
Histone Methyltransferase

>  <Form> (35)
Free Base

>  <CAS> (35)
1403254-99-8

>  <URL> (35)
http://www.selleckchem.com/products/epz-6438.html

$$$$
UNC1999.cdx
csChFnd80/12231915312D

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2614

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UNC1999

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N/A

>  <Target> (36)
Histone Methyltransferase

>  <Form> (36)
Free Base

>  <CAS> (36)
1431612-23-5

>  <URL> (36)
http://www.selleckchem.com/products/unc1999.html

$$$$
JIB04 (NSC693627).cdx
csChFnd80/12231915312D

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>  <Mol_ID> (37)
2616

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308.76492

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S7281

>  <Name> (37)
JIB04 (NSC693627)

>  <Synonyms> (37)
NSC693627

>  <Target> (37)
Histone demethylases

>  <Form> (37)
Free Base

>  <CAS> (37)
199596-05-9

>  <URL> (37)
http://www.selleckchem.com/products/jib-04.html

$$$$
MM-102.cdx
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>  <Mol_ID> (38)
2621

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C35H49F2N7O4

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>  <Name> (38)
MM-102

>  <Synonyms> (38)
HMTase Inhibitor IX

>  <Target> (38)
Histone Methyltransferase

>  <Form> (38)
Free Base

>  <CAS> (38)
1417329-24-8

>  <URL> (38)
http://www.selleckchem.com/products/mm-102.html

$$$$
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OG-L002

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N/A

>  <Target> (39)
Histone demethylases

>  <Form> (39)
Free Base

>  <CAS> (39)
1357302-64-7

>  <URL> (39)
http://www.selleckchem.com/products/og-l002.html

$$$$
IOX1.cdx
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C10H7NO3

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IOX1

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N/A

>  <Target> (40)
Histone demethylases

>  <Form> (40)
Free Base

>  <CAS> (40)
5852-78-8

>  <URL> (40)
http://www.selleckchem.com/products/iox1.html

$$$$
PFI-2.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (41)
2804

>  <Formula> (41)
C23H25F4N3O3S

>  <MolWeight> (41)
499.5215128

>  <Cat> (41)
S7294

>  <Name> (41)
PFI-2 HCl

>  <Synonyms> (41)
N/A

>  <Target> (41)
Histone Methyltransferase

>  <Form> (41)
Hydrochloride

>  <CAS> (41)
1627676-59-8

>  <URL> (41)
http://www.selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (42)
2805

>  <Formula> (42)
C18H25N5S2

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375.5546

>  <Cat> (42)
S7619

>  <Name> (42)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (42)
N/A

>  <Target> (42)
Histone Methyltransferase

>  <Form> (42)
Free Base

>  <CAS> (42)
1271738-59-0

>  <URL> (42)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
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csChFnd80/12231915312D

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>  <Mol_ID> (43)
2830

>  <Formula> (43)
C18H25N5S2

>  <MolWeight> (43)
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>  <Cat> (43)
S7618

>  <Name> (43)
MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (43)
N/A

>  <Target> (43)
Histone Methyltransferase

>  <Form> (43)
Free Base

>  <CAS> (43)
1271738-62-5

>  <URL> (43)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
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>  <Target> (44)
Histone Demethylase

>  <Form> (44)
Free Base

>  <CAS> (44)
1423715-09-6

>  <URL> (44)
http://www.selleckchem.com/products/sp2509.html

$$$$
EI1.cdx
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2841

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C23H26N4O2

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S7611

>  <Name> (45)
EI1

>  <Synonyms> (45)
N/A

>  <Target> (45)
Histone Methyltransferase

>  <Form> (45)
Free Base

>  <CAS> (45)
1418308-27-6

>  <URL> (45)
http://www.selleckchem.com/products/ei1.html

$$$$
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>  <Mol_ID> (46)
2843

>  <Formula> (46)
C25H23N3O3

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413.46842

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BRD4770

>  <Synonyms> (46)
N/A

>  <Target> (46)
Histone Methyltransferase

>  <Form> (46)
Free Base

>  <CAS> (46)
1374601-40-7

>  <URL> (46)
http://www.selleckchem.com/products/brd4770.html

$$$$
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>  <Mol_ID> (47)
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>  <Formula> (47)
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ML324

>  <Synonyms> (47)
N/A

>  <Target> (47)
Histone Demethylase

>  <Form> (47)
Free Base

>  <CAS> (47)
1222800-79-4

>  <URL> (47)
http://www.selleckchem.com/products/ml324.html

$$$$
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M  END
>  <Mol_ID> (48)
2871

>  <Formula> (48)
C22H30ClN3O3S2

>  <MolWeight> (48)
484.0749

>  <Cat> (48)
S7465

>  <Name> (48)
FTI 277 HCl

>  <Synonyms> (48)
N/A

>  <Target> (48)
Transferase

>  <Form> (48)
hydrochloride salt

>  <CAS> (48)
180977-34-8

>  <URL> (48)
http://www.selleckchem.com/products/fti-277-hcl.html

$$$$
Salirasib.cdx
csChFnd80/12231915312D

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M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (49)
2875

>  <Formula> (49)
C22H30O2S

>  <MolWeight> (49)
358.5374

>  <Cat> (49)
S7684

>  <Name> (49)
Salirasib

>  <Synonyms> (49)
N/A

>  <Target> (49)
Rho

>  <Form> (49)
Free Base

>  <CAS> (49)
162520-00-5

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

$$$$
UNC0379.cdx
csChFnd80/12231915312D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (50)
2890

>  <Formula> (50)
C23H35N5O2

>  <MolWeight> (50)
413.5563

>  <Cat> (50)
S7570

>  <Name> (50)
UNC0379

>  <Synonyms> (50)
N/A

>  <Target> (50)
Histone Methyltransferase

>  <Form> (50)
Free Base

>  <CAS> (50)
1620401-82-2

>  <URL> (50)
http://www.selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (51)
2892

>  <Formula> (51)
C14H22Cl2N2

>  <MolWeight> (51)
289.24388

>  <Cat> (51)
S7574

>  <Name> (51)
GSK-LSD1 2HCl

>  <Synonyms> (51)
N/A

>  <Target> (51)
Histone Demethylase

>  <Form> (51)
Dihydrochloride

>  <CAS> (51)
1431368-48-7

>  <URL> (51)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (52)
2895

>  <Formula> (52)
C31H38N6O2

>  <MolWeight> (52)
526.67242

>  <Cat> (52)
S7061

>  <Name> (52)
GSK126

>  <Synonyms> (52)
N/A

>  <Target> (52)
Histone Methyltransferase

>  <Form> (52)
Free Base

>  <CAS> (52)
1346574-57-9

>  <URL> (52)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/12231915312D

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2899

>  <Formula> (53)
C20H25N5O3

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383.4442

>  <Cat> (53)
S7748

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EPZ015666

>  <Synonyms> (53)
N/A

>  <Target> (53)
Histone Methyltransferase

>  <Form> (53)
Free Base

>  <CAS> (53)
1616391-65-1

>  <URL> (53)
http://www.selleckchem.com/products/epz015666.html

$$$$
GSK J1.cdx
csChFnd80/12231915312D

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2946

>  <Formula> (54)
C22H23N5O2

>  <MolWeight> (54)
389.45032

>  <Cat> (54)
S7581

>  <Name> (54)
GSK J1

>  <Synonyms> (54)
N/A

>  <Target> (54)
Histone Demethylase

>  <Form> (54)
Free Base

>  <CAS> (54)
1373422-53-7

>  <URL> (54)
http://www.selleckchem.com/products/gsk-j1.html

$$$$
CPI-169.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (55)
2958

>  <Formula> (55)
C27H36N4O5S

>  <MolWeight> (55)
528.66354

>  <Cat> (55)
S7616

>  <Name> (55)
CPI-169

>  <Synonyms> (55)
N/A

>  <Target> (55)
Histone Methyltransferase

>  <Form> (55)
Free Base

>  <CAS> (55)
1450655-76-1

>  <URL> (55)
http://www.selleckchem.com/products/cpi-169.html

$$$$
AZ5104.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (56)
2961

>  <Formula> (56)
C27H31N7O2

>  <MolWeight> (56)
485.58074

>  <Cat> (56)
S7298

>  <Name> (56)
AZ5104

>  <Synonyms> (56)
N/A

>  <Target> (56)
EGFR

>  <Form> (56)
Free Base

>  <CAS> (56)
1421373-98-9

>  <URL> (56)
http://www.selleckchem.com/products/az5104.html

$$$$
AMI-1.cdx
csChFnd80/12231915312D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
2972

>  <Formula> (57)
C21H14N2Na2O9S2

>  <MolWeight> (57)
548.4534

>  <Cat> (57)
S7884

>  <Name> (57)
AMI-1

>  <Synonyms> (57)
N/A

>  <Target> (57)
Histone Methyltransferase

>  <Form> (57)
disodium salt

>  <CAS> (57)
20324-87-2

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

$$$$
GSK503.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (58)
2989

>  <Formula> (58)
C31H38N6O2

>  <MolWeight> (58)
526.67242

>  <Cat> (58)
S7804

>  <Name> (58)
GSK503

>  <Synonyms> (58)
N/A

>  <Target> (58)
Histone Methyltransferase

>  <Form> (58)
Free Base

>  <CAS> (58)
1346572-63-1

>  <URL> (58)
http://www.selleckchem.com/products/gsk503.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/12231915312D

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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  3 10  2  0  0  0  0
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  1  2  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (59)
2993

>  <Formula> (59)
C5H6Na2O5

>  <MolWeight> (59)
192.07768

>  <Cat> (59)
S7873

>  <Name> (59)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (59)
N/A

>  <Target> (59)
Others

>  <Form> (59)
disodium salt

>  <CAS> (59)
103404-90-6

>  <URL> (59)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
CPI-360.cdx
csChFnd80/12231915312D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (60)
2996

>  <Formula> (60)
C25H31N3O4

>  <MolWeight> (60)
437.53134

>  <Cat> (60)
S7656

>  <Name> (60)
CPI-360

>  <Synonyms> (60)
N/A

>  <Target> (60)
Histone Methyltransferase

>  <Form> (60)
Free Base

>  <CAS> (60)
1802175-06-9

>  <URL> (60)
http://www.selleckchem.com/products/cpi-360.html

$$$$
ORY-1001.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (61)
3048

>  <Formula> (61)
C15H24Cl2N2

>  <MolWeight> (61)
303.27046

>  <Cat> (61)
S7795

>  <Name> (61)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (61)
N/A

>  <Target> (61)
Histone Demethylase

>  <Form> (61)
Dihydrochloride

>  <CAS> (61)
1431326-61-2

>  <URL> (61)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
SGC707.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (62)
3076

>  <Formula> (62)
C16H18N4O2

>  <MolWeight> (62)
298.33972

>  <Cat> (62)
S7832

>  <Name> (62)
SGC707

>  <Synonyms> (62)
N/A

>  <Target> (62)
Histone Methyltransferase

>  <Form> (62)
Free Base

>  <CAS> (62)
1687736-54-4

>  <URL> (62)
http://www.selleckchem.com/products/sgc707.html

$$$$
GSK2879552.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (63)
3086

>  <Formula> (63)
C23H30Cl2N2O2

>  <MolWeight> (63)
437.4025

>  <Cat> (63)
S7796

>  <Name> (63)
GSK2879552 2HCl

>  <Synonyms> (63)
N/A

>  <Target> (63)
Histone Demethylase

>  <Form> (63)
Dihydrochloride

>  <CAS> (63)
1401966-69-5

>  <URL> (63)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
MS023.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (64)
3092

>  <Formula> (64)
C17H25N3O

>  <MolWeight> (64)
287.3999

>  <Cat> (64)
S8112

>  <Name> (64)
MS023

>  <Synonyms> (64)
N/A

>  <Target> (64)
Histone Methyltransferase

>  <Form> (64)
Free Base

>  <CAS> (64)
1831110-54-3

>  <URL> (64)
http://www.selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/12231915312D

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 21 47  2  0  0  0  0
 18 48  2  0  0  0  0
M  END
>  <Mol_ID> (65)
3094

>  <Formula> (65)
C30H28N6O6S4

>  <MolWeight> (65)
696.83992

>  <Cat> (65)
S8068

>  <Name> (65)
Chaetocin

>  <Synonyms> (65)
N/A

>  <Target> (65)
Histone Methyltransferase

>  <Form> (65)
Free Base

>  <CAS> (65)
28097-03-2

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

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/12231915312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (66)
3117

>  <Formula> (66)
C22H28N4O2

>  <MolWeight> (66)
380.48332

>  <Cat> (66)
S8111

>  <Name> (66)
GSK591 (EPZ015866,GSK3203591)

>  <Synonyms> (66)
EPZ015866, GSK3203591

>  <Target> (66)
Histone Methyltransferase

>  <Form> (66)
Free Base

>  <CAS> (66)
1616391-87-7

>  <URL> (66)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
HLCL-61.cdx
csChFnd80/12231915312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    0.0000    6.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (67)
3122

>  <Formula> (67)
C23H25ClN2O

>  <MolWeight> (67)
380.9104

>  <Cat> (67)
S8209

>  <Name> (67)
HLCL-61 hydrochloride

>  <Synonyms> (67)
HLCL61

>  <Target> (67)
Histone Methyltransferase

>  <Form> (67)
Hydrochloride

>  <CAS> (67)
1158279-20-9

>  <URL> (67)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/12231915312D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (68)
3137

>  <Formula> (68)
C19H17F6N7O

>  <MolWeight> (68)
473.3749992

>  <Cat> (68)
S8205

>  <Name> (68)
AG-221 (Enasidenib)

>  <Synonyms> (68)
N/A

>  <Target> (68)
Dehydrogenase

>  <Form> (68)
Free Base

>  <CAS> (68)
1446502-11-9

>  <URL> (68)
http://www.selleckchem.com/products/ag-221-enasidenib.html

$$$$
MI-136.cdx
csChFnd80/12231915312D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (69)
3159

>  <Formula> (69)
C23H21F3N6S

>  <MolWeight> (69)
470.5132496

>  <Cat> (69)
S7815

>  <Name> (69)
MI-136

>  <Synonyms> (69)
N/A

>  <Target> (69)
Androgen Receptor

>  <Form> (69)
Free Base

>  <CAS> (69)
1628316-74-4

>  <URL> (69)
http://www.selleckchem.com/products/mi-136.html

$$$$
A-366.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (70)
3161

>  <Formula> (70)
C19H27N3O2

>  <MolWeight> (70)
329.43658

>  <Cat> (70)
S7572

>  <Name> (70)
A-366

>  <Synonyms> (70)
N/A

>  <Target> (70)
Histone Methyltransferase

>  <Form> (70)
Free Base

>  <CAS> (70)
1527503-11-2

>  <URL> (70)
http://www.selleckchem.com/products/a-366.html

$$$$
S4605 Folic acid.cdx
csChFnd80/12231915312D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (71)
3180

>  <Formula> (71)
C19H19N7O6

>  <MolWeight> (71)
441.39746

>  <Cat> (71)
S4605

>  <Name> (71)
Folic acid

>  <Synonyms> (71)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (71)
Vitamin

>  <Form> (71)
Free Base

>  <CAS> (71)
59-30-3

>  <URL> (71)
http://www.selleckchem.com/products/folic-acid.html

$$$$
PRIMA-1.cdx
csChFnd80/12231915312D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
3217

>  <Formula> (72)
C9H15NO3

>  <MolWeight> (72)
185.2203

>  <Cat> (72)
S7723

>  <Name> (72)
PRIMA-1

>  <Synonyms> (72)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (72)
p53

>  <Form> (72)
Free Base

>  <CAS> (72)
5608-24-2

>  <URL> (72)
http://www.selleckchem.com/products/prima-1.html

$$$$
LLY507.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (73)
3248

>  <Formula> (73)
C36H42N6O

>  <MolWeight> (73)
574.75828

>  <Cat> (73)
S7575

>  <Name> (73)
LLY-507

>  <Synonyms> (73)
N/A

>  <Target> (73)
Histone Methyltransferase

>  <Form> (73)
Free Base

>  <CAS> (73)
1793053-37-8

>  <URL> (73)
http://www.selleckchem.com/products/lly-507.html

$$$$
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csChFnd80/12231915312D

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M  END
>  <Mol_ID> (74)
3266

>  <Formula> (74)
C29H32F3N5O3

>  <MolWeight> (74)
555.5912896

>  <Cat> (74)
S7833

>  <Name> (74)
OICR-9429

>  <Synonyms> (74)
N/A

>  <Target> (74)
Histone Methyltransferase

>  <Form> (74)
Free Base

>  <CAS> (74)
1801787-56-3

>  <URL> (74)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
CPI-1205.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (75)
3270

>  <Formula> (75)
C27H33F3N4O3

>  <MolWeight> (75)
518.5711296

>  <Cat> (75)
S8353

>  <Name> (75)
CPI-1205

>  <Synonyms> (75)
CPI 1205, CPI1205

>  <Target> (75)
Histone Methyltransferase

>  <Form> (75)
Free Base

>  <CAS> (75)
1621862-70-1

>  <URL> (75)
http://www.selleckchem.com/products/cpi-1205.html

$$$$
CPI-455.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (76)
3283

>  <Formula> (76)
C16H15ClN4O

>  <MolWeight> (76)
314.7695

>  <Cat> (76)
S8287

>  <Name> (76)
CPI-455 HCl

>  <Synonyms> (76)
N/A

>  <Target> (76)
Histone Demethylase

>  <Form> (76)
hydrochloride

>  <CAS> (76)
1628208-23-0(free base)

>  <URL> (76)
http://www.selleckchem.com/products/cpi-455.html

$$$$
UNC3866.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (77)
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C43H66N6O8

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UNC3866

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Free Base

>  <Target> (77)
Histone Methyltransferase

>  <Form> (77)
Free Base

>  <CAS> (77)
1872382-47-2

>  <URL> (77)
http://www.selleckchem.com/products/unc3866.html

$$$$
MS049.cdx
csChFnd80/12231915312D

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MS049

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N/A

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Histone Methyltransferase

>  <Form> (78)
dihydrochloride

>  <CAS> (78)
1502816-23-0(free base)

>  <URL> (78)
http://www.selleckchem.com/products/ms049.html

$$$$
UNC0638.cdx
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>  <Mol_ID> (79)
3310

>  <Formula> (79)
C30H47N5O2

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509.72648

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S8071

>  <Name> (79)
UNC0638

>  <Synonyms> (79)
N/A

>  <Target> (79)
Histone Methyltransferase

>  <Form> (79)
Free Base

>  <CAS> (79)
1255580-76-7

>  <URL> (79)
http://www.selleckchem.com/products/unc0638.html

$$$$
EPZ020411.cdx
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>  <Mol_ID> (80)
3317

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EPZ020411 2HCl

>  <Synonyms> (80)
N/A

>  <Target> (80)
Histone Methyltransferase

>  <Form> (80)
dihydrochloride

>  <CAS> (80)
1700663-41-7(free base)

>  <URL> (80)
http://www.selleckchem.com/products/epz020411.html

$$$$
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N/A

>  <Target> (81)
Histone Methyltransferase

>  <Form> (81)
Free Base

>  <CAS> (81)
1628317-18-9

>  <URL> (81)
http://www.selleckchem.com/products/mi-463.html

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N/A

>  <Target> (82)
Epigenetic Reader Domain

>  <Form> (82)
Free Base

>  <CAS> (82)
2083627-02-3

>  <URL> (82)
http://www.selleckchem.com/products/eed226.html

$$$$
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>  <Formula> (83)
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>  <Cat> (83)
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>  <Name> (83)
BIX 01294

>  <Synonyms> (83)
N/A

>  <Target> (83)
Histone Methyltransferase

>  <Form> (83)
trihydrochloride

>  <CAS> (83)
1392399-03-9

>  <URL> (83)
http://www.selleckchem.com/products/bix-01294.html

$$$$
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N/A

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SUV420H1,SUV420H2

>  <Form> (84)
free base

>  <CAS> (84)
1982372-88-2

>  <URL> (84)
http://www.selleckchem.com/products/a-196.html

$$$$
SGC2085.cdx
csChFnd80/12231915312D

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free base

>  <CAS> (85)
1821908-48-8

>  <URL> (85)
http://www.selleckchem.com/products/sgc2085.html

$$$$
PF-06726304.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (86)
3445

>  <Formula> (86)
C22H21Cl2N3O3

>  <MolWeight> (86)
446.32644

>  <Cat> (86)
S8494

>  <Name> (86)
PF-06726304

>  <Synonyms> (86)
PF-6726304

>  <Target> (86)
Ezh2 (wild-type),EZH2 Y641N

>  <Form> (86)
free base

>  <CAS> (86)
1616287-82-1

>  <URL> (86)
http://www.selleckchem.com/products/pf-06726304.html

$$$$
CP2.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (87)
3450

>  <Formula> (87)
C92H120N24O26S

>  <MolWeight> (87)
2010.1474

>  <Cat> (87)
S8601

>  <Name> (87)
CP2

>  <Synonyms> (87)
N/A

>  <Target> (87)
KDM4C,KDM4A

>  <Form> (87)
free base

>  <CAS> (87)
No

>  <URL> (87)
http://www.selleckchem.com/products/cp2.html

$$$$
GSK3326595 (EPZ015938).cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (88)
3486

>  <Formula> (88)
C24H32N6O3

>  <MolWeight> (88)
452.54928

>  <Cat> (88)
S8664

>  <Name> (88)
GSK3326595 (EPZ015938)

>  <Synonyms> (88)
N/A

>  <Target> (88)
PRMT5

>  <Form> (88)
free base

>  <CAS> (88)
1616392-22-3

>  <URL> (88)
http://www.selleckchem.com/products/gsk3326595-epz015938.html

$$$$
Adenosine Dialdehyde (ADOX).cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (89)
3488

>  <Formula> (89)
C10H11N5O4

>  <MolWeight> (89)
265.22544

>  <Cat> (89)
S8608

>  <Name> (89)
Adenosine Dialdehyde (ADOX)

>  <Synonyms> (89)
N/A

>  <Target> (89)
AdoHcy hydrolase

>  <Form> (89)
free base

>  <CAS> (89)
34240-05-6

>  <URL> (89)
http://www.selleckchem.com/products/adenosine-dialdehyde-adox.html

$$$$

csChFnd80/12231915312D

  1  0  0  0  0  0  0  0  0  0999 V2000
   15.0250  -12.2750    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No structure
M  END
>  <Mol_ID> (90)
3499

>  <Formula> (90)
R

>  <Cat> (90)
S5104

>  <Name> (90)
Tea polyphenol

>  <Synonyms> (90)
N/A

>  <Target> (90)
Others

>  <CAS> (90)
84650-60-2

>  <URL> (90)
http://www.selleckchem.com/products/tea-polyphenol.html

$$$$
S4811 VitaMin U.cdx
csChFnd80/12231915312D

 11  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
3544

>  <Formula> (91)
C6H14ClNO2S

>  <MolWeight> (91)
199.69886

>  <Cat> (91)
S4811

>  <Name> (91)
VitaMin U

>  <Synonyms> (91)
Methylmethioninesulfonium Chloride, Cabagin-U, Smethylmethionine

>  <Target> (91)
Others

>  <Form> (91)
chloride

>  <CAS> (91)
582174

>  <URL> (91)
http://www.selleckchem.com/products/vitamin-u.html

$$$$
LLY-283.cdx
csChFnd80/12231915312D

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M  END
>  <Mol_ID> (92)
3573

>  <Formula> (92)
C17H18N4O4

>  <MolWeight> (92)
342.34922

>  <Cat> (92)
S8479

>  <Name> (92)
LLY-283

>  <Synonyms> (92)
N/A

>  <Target> (92)
PRMT5

>  <Form> (92)
free base

>  <CAS> (92)
2040291-27-6

>  <URL> (92)
http://www.selleckchem.com/products/lly-283.html

$$$$
S5109 Ademetionine.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (93)
3581

>  <Formula> (93)
C15H22N6O5S

>  <MolWeight> (93)
398.43738

>  <Cat> (93)
S5109

>  <Name> (93)
Ademetionine

>  <Synonyms> (93)
AdoMet, S-Adenosylmethionine, SAMe

>  <Target> (93)
Others

>  <Form> (93)
inner salt

>  <CAS> (93)
29908-03-0

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

$$$$
UNC0642.cdx
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>  <Mol_ID> (94)
3608

>  <Formula> (94)
C29H44F2N6O2

>  <MolWeight> (94)
546.6954664

>  <Cat> (94)
S7230

>  <Name> (94)
UNC0642

>  <Synonyms> (94)
N/A

>  <Target> (94)
G9a,GLP

>  <Form> (94)
free base

>  <CAS> (94)
1481677-78-4

>  <URL> (94)
http://www.selleckchem.com/products/unc0642.html

$$$$
JQ-EZ-05 (JQEZ5).cdx
csChFnd80/12231915312D

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>  <Mol_ID> (95)
3612

>  <Formula> (95)
C30H38N8O2

>  <MolWeight> (95)
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>  <Cat> (95)
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>  <Name> (95)
JQ-EZ-05 (JQEZ5)

>  <Synonyms> (95)
N/A

>  <Target> (95)
EZH1,EZH2

>  <Form> (95)
free base

>  <CAS> (95)
1913252-04-6

>  <URL> (95)
http://www.selleckchem.com/products/jq-ez-05-jqez5.html

$$$$
S4889 Perospirone hydrochloride.cdx
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    2.5731    2.5545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4654    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
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  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
 29 30  1  0  0  0  0
 23 31  1  6  0  0  0
 25 32  1  6  0  0  0
M  END
>  <Mol_ID> (96)
3733

>  <Formula> (96)
C23H31ClN4O2S

>  <MolWeight> (96)
463.03584

>  <Cat> (96)
S4889

>  <Name> (96)
Perospirone hydrochloride

>  <Synonyms> (96)
SM-9018 hydrochloride

>  <Target> (96)
5-HT Receptor,Dopamine Receptor

>  <Form> (96)
hydrochloride 

>  <CAS> (96)
129273-38-7

>  <URL> (96)
http://selleckchem.com/products/perospirone-hydrochloride.html

$$$$
S5420 Clindamycin alcoholate.cdx
csChFnd80/12231915312D

 30 29  0  0  0  0  0  0  0  0999 V2000
    8.9564    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9503    5.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1738    7.1276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3791    5.0258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3794    6.4225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7451    7.1312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3155    7.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336    6.4295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1617    4.3277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8331    6.9856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8799    5.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155    8.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519    5.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7451    8.5279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1589    2.9221    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5880    4.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1742    8.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6026    7.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485    8.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5338    9.2296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    3.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3670    2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9565    9.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758    3.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694    1.7434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9564    7.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341    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  0  0  0  0
  6  1  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3 19  1  6  0  0  0
  4  5  1  0  0  0  0
  4 18  1  1  0  0  0
  9  4  1  0  0  0  0
  5 20  1  6  0  0  0
  6  8  1  6  0  0  0
 15  6  1  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  6  0  0  0
 13  7  2  0  0  0  0
  9 16  1  1  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 21 10  1  0  0  0  0
 14 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 15 22  1  1  0  0  0
 25 15  1  0  0  0  0
 24 16  1  0  0  0  0
 17 23  1  1  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
  1 29  1  1  0  0  0
M  END
>  <Mol_ID> (97)
3814

>  <Formula> (97)
C18H36Cl2N2O6S

>  <MolWeight> (97)
479.45924

>  <Cat> (97)
S5420

>  <Name> (97)
Clindamycin alcoholate

>  <Synonyms> (97)
N/A

>  <Target> (97)
Anti-infection

>  <Form> (97)
hydrochloride, monohydrate

>  <CAS> (97)
58207-19-5

>  <URL> (97)
http://selleckchem.com/products/clindamycin-alcoholate.html

$$$$
S5266 Stiripentol.cdx
csChFnd80/12231915312D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.1260    2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1260    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    2.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    0.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    2.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5126    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    2.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9310    2.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1454    2.8382    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.1454    4.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5693    1.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6572    0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0572    3.3517    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
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (98)
3879

>  <Formula> (98)
C14H18O3

>  <MolWeight> (98)
234.29092

>  <Cat> (98)
S5266

>  <Name> (98)
Stiripentol

>  <Synonyms> (98)
BCX2600

>  <Target> (98)
Others

>  <CAS> (98)
49763-96-4

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

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/12231915312D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8451    1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    4.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    3.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    5.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    1.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    3.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    1.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3353    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    3.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5483    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7604    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    4.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9730    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9729    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    5.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1854    1.2169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3978    0.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4850    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8850    2.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (99)
3929

>  <Formula> (99)
C21H16N2O9S2

>  <MolWeight> (99)
504.48974

>  <Cat> (99)
S5445

>  <Name> (99)
AMI-1, free acid

>  <Synonyms> (99)
N/A

>  <Target> (99)
Histone Methyltransferase

>  <Form> (99)
free base

>  <CAS> (99)
134-47-4

>  <URL> (99)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/12231915312D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (100)
3977

>  <Formula> (100)
C3H7NO3

>  <MolWeight> (100)
105.09258

>  <Cat> (100)
S5545

>  <Name> (100)
DL-Serine

>  <Synonyms> (100)
N/A

>  <Target> (100)
PKM

>  <CAS> (100)
302-84-1

>  <URL> (100)
http://selleckchem.com/products/dl-serine.html

$$$$
S9227 Sinensetin.cdx
csChFnd80/12231915312D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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4372

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C20H20O7

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372.3686

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S9227

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Sinensetin

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free base

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2306-27-6

$$$$
S9287 Genkwanin.cdx
csChFnd80/12231915312D

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4422

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Genkwanin

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free base

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437-64-9

$$$$
S5704 Myclobutanil.cdx
csChFnd80/12231915312D

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4542

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C15H17ClN4

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288.77528

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S5704

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Myclobutanil

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Fungal

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free base

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88671-89-0

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

$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/12231915312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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4574

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C18H16O5

>  <MolWeight> (104)
312.31664

>  <Cat> (104)
S9328

>  <Name> (104)
5,6,7-Trimethoxyflavone

>  <Form> (104)
free base

>  <CAS> (104)
973-67-1

$$$$
S5217 Arformoterol Tartrate.cdx
csChFnd80/12231915312D

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>  <Mol_ID> (105)
4605

>  <Formula> (105)
C23H30N2O10

>  <MolWeight> (105)
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>  <Cat> (105)
S5217

>  <Name> (105)
Arformoterol Tartrate

>  <Synonyms> (105)
(R,R)-Formoterol

>  <Target> (105)
Others

>  <Form> (105)
Tartrate

>  <CAS> (105)
200815-49-2

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

$$$$

csChFnd80/12231915312D

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>  <Mol_ID> (106)
4753

>  <Formula> (106)
C17H13N3O2

>  <MolWeight> (106)
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>  <Cat> (106)
S5772

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AS-8351

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N/A

>  <Target> (106)
Histone Demethylase

>  <Form> (106)
Free Base

>  <CAS> (106)
796-42-9

>  <URL> (106)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/12231915312D

 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> (107)
4836

>  <Formula> (107)
C10H15N3O4

>  <MolWeight> (107)
241.2438

>  <Cat> (107)
S5907

>  <Name> (107)
5-Methyl-2'-deoxycytidine

>  <Synonyms> (107)
5-Methyldeoxycytidine, 5MedCyd

>  <Target> (107)
Others

>  <Form> (107)
Free Base

>  <CAS> (107)
838-07-3

>  <URL> (107)
http://www.selleckchem.com/products/5-methyl-2-deoxycytidine.html

$$$$

csChFnd80/12231915312D

 42 46  0  0  0  0  0  0  0  0999 V2000
    8.4544    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    4.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7290   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
  6 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  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 19 26  2  0  0  0  0
 10 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 10  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 13 35  1  0  0  0  0
 35 36  1  0  0  0  0
 13 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 37  1  0  0  0  0
M  END
>  <Mol_ID> (108)
4877

>  <Formula> (108)
C34H48N4O4

>  <MolWeight> (108)
576.76932

>  <Cat> (108)
S8702

>  <Name> (108)
EBI-2511

>  <Synonyms> (108)
N/A

>  <Target> (108)
EZH1/2

>  <Form> (108)
Free Base

>  <CAS> (108)
2098546-05-3

>  <URL> (108)
http://www.selleckchem.com/products/ebi-2511.html

$$$$

csChFnd80/12231915312D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.1295    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2563    2.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1295    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4387    3.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152    3.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (109)
5019

>  <Formula> (109)
C5H11N

>  <MolWeight> (109)
85.14754

>  <Cat> (109)
S6216

>  <Name> (109)
1-Methylpyrrolidine

>  <Synonyms> (109)
N/A

>  <Target> (109)
Others

>  <Form> (109)
free base

>  <CAS> (109)
120-94-5

>  <URL> (109)
http://www.selleck.cn/products/1-methylpyrrolidine.html

$$$$

csChFnd80/12231915312D

 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> (110)
5135

>  <Formula> (110)
C10H14N2O6

>  <MolWeight> (110)
258.22796

>  <Cat> (110)
S6156

>  <Name> (110)
5-Methyluridine

>  <Synonyms> (110)
|Ribothymidine, Ribosylthymine, Thymine riboside

>  <Target> (110)
Others

>  <Form> (110)
free base

>  <CAS> (110)
1463-10-1

>  <URL> (110)
http://www.selleck.cn/products/5-methyluridine.html

$$$$

csChFnd80/12231915312D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
  3  9  1  0  0  0  0
 11 12  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (111)
5191

>  <Formula> (111)
C9H12O3

>  <MolWeight> (111)
168.18978

>  <Cat> (111)
S6294

>  <Name> (111)
1,3,5-Trimethoxybenzene

>  <Synonyms> (111)
Phloroglucinol trimethyl ether, Sym-trimethoxybenzene, Trimethylphloroglucinol

>  <Target> (111)
Others

>  <Form> (111)
free base

>  <CAS> (111)
621-23-8

>  <URL> (111)
http://www.selleck.cn/products/1-3-5-trimethoxybenzene.html

$$$$

csChFnd80/12231915312D

 40 44  0  0  0  0  0  0  0  0999 V2000
    3.1335    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    8.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  2  0  0  0  0
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 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (112)
5423

>  <Formula> (112)
C31H39N7O2

>  <MolWeight> (112)
541.68706

>  <Cat> (112)
S7164

>  <Name> (112)
GSK343

>  <Synonyms> (112)
N/A

>  <Target> (112)
Histone Methyltransf

>  <Form> (112)
Free Base

>  <CAS> (112)
1346704-33-3

>  <URL> (112)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/12231915312D

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    8.2779    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0655    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2277    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 15  4  1  1  0  0  0
 15 16  1  0  0  0  0
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 17 15  1  0  0  0  0
 17 18  1  6  0  0  0
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 12 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (113)
6774

>  <Formula> (113)
C18H23ClN4O

>  <MolWeight> (113)
346.85442

>  <Cat> (113)
S8438

>  <Name> (113)
T-3775440 HCl

>  <Synonyms> (113)
N/A

>  <Target> (113)
Histone Demethylase

>  <Form> (113)
HCl

>  <CAS> (113)
1422535-52-1

>  <URL> (113)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$
