
  Mrv1632106031619162D          

 12 13  0  0  0  0            999 V2000
   -1.4604    1.7103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    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  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
M  CHG  1   1   1
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
2

>  <Mol Weight>
161.227

>  <Formula>
C10H13N2

>  <target_species>
Human

>  <ligand>
tryptamine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.0

>  <pubmed_id>
15322733|8450835

$$$$

  Mrv1632106031619162D          

 13 14  0  0  0  0            999 V2000
   -1.4604    1.7103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    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  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
  7 13  4  0  0  0  0
M  CHG  1   1   1
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
5

>  <Mol Weight>
177.226

>  <Formula>
C10H13N2O

>  <target_species>
Human

>  <ligand>
5-hydroxytryptamine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.9

>  <pubmed_id>
15322733|12954071|11104741|8078486|15466450|8450835

$$$$

  Mrv1632106031619162D          

 14 15  0  0  0  0            999 V2000
   -1.4534   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -3.1062    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
  9 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  1  14   1
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
6

>  <Mol Weight>
191.253

>  <Formula>
C11H15N2O

>  <target_species>
Rat

>  <ligand>
2-methyl-5-HT

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
6.6

>  <pubmed_id>
8450835

$$$$

  Mrv1632106031619162D          

 14 15  0  0  0  0            999 V2000
   -1.4604    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575    0.3126    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
  7 13  4  0  0  0  0
  2 14  1  0  0  0  0
M  CHG  1  14   1
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
8

>  <Mol Weight>
191.253

>  <Formula>
C11H15N2O

>  <target_species>
Human

>  <ligand>
alpha-methyl-5-HT

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.1

>  <pubmed_id>
15322733|8078486|15466450|8450835

$$$$

  Mrv1632106031619162D          

 14 15  0  0  0  0            999 V2000
   -1.4604    1.7103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    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  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  4  0  0  0  0
 13 14  4  0  0  0  0
  7 14  4  0  0  0  0
M  CHG  1   1   1
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
9

>  <Mol Weight>
191.253

>  <Formula>
C11H15N2O

>  <target_species>
Rat

>  <ligand>
5-MeOT

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.0

>  <pubmed_id>
8450835

$$$$

  Mrv1632106031619162D          

 13 14  0  0  0  0            999 V2000
    3.4479    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938   -0.2691    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4358   -1.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -1.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    0.5559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  2  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CdId>
10

>  <Mol Weight>
196.7

>  <Formula>
C11H15ClN

>  <target_species>
Human

>  <ligand>
lorcaserin

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
6.8

>  <pubmed_id>
18252809

$$$$

  Mrv1632106031619162D          

 13 14  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CdId>
13

>  <Mol Weight>
197.69

>  <Formula>
C10H14ClN2

>  <target_species>
Human

>  <ligand>
m-chlorophenylpiperazine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.95

>  <pubmed_id>
15322733|11104741|9933142|9459568|12970106|8450835

$$$$

  Mrv1632106031619162D          

 13 14  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CdId>
15

>  <Mol Weight>
199.66

>  <Formula>
C8H12ClN4

>  <target_species>
Human

>  <ligand>
MK-212

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
6.5

>  <pubmed_id>
15322733|12970106|8450835

$$$$

  Mrv1632106031619162D          

 14 14  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5559    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
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  6 10  1  0  0  0  0
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  2 14  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CdId>
18

>  <Mol Weight>
204.216

>  <Formula>
C10H13F3N

>  <target_species>
Human

>  <ligand>
norfenfluramine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.3

>  <pubmed_id>
11104741

$$$$

  Mrv1632106031619162D          

 15 16  0  0  0  0            999 V2000
   -1.4604    1.7103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7845    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  4  0  0  0  0
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  6  7  4  0  0  0  0
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  4  8  4  0  0  0  0
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  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1   1   1
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
20

>  <Mol Weight>
204.252

>  <Formula>
C11H14N3O

>  <target_species>
Human

>  <ligand>
5-CT

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
6.8

>  <pubmed_id>
15322733|8078486|8450835

$$$$

  Mrv1632106031619162D          

 16 18  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
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  7 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
M  CHG  1   1   1
M  END
>  <CdId>
22

>  <Mol Weight>
213.303

>  <Formula>
C14H17N2

>  <target_species>
Human

>  <ligand>
1-naphthylpiperazine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.7

>  <pubmed_id>
8078486|9459568|8450835

$$$$

  Mrv1632106031619162D          

 16 18  0  0  0  0            999 V2000
   -2.8579    0.8250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
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  7 12  4  0  0  0  0
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 13 14  4  0  0  0  0
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 15 16  4  0  0  0  0
 10 16  4  0  0  0  0
M  CHG  1   1   1
M  END
>  <CdId>
24

>  <Mol Weight>
214.291

>  <Formula>
C13H16N3

>  <target_species>
Human

>  <ligand>
quipazine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.1

>  <pubmed_id>
15322733|8450835

$$$$

  Mrv1632106031619162D          

 16 18  0  0  1  0            999 V2000
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    4.0668   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 11 15  4  0  0  0  0
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  8 16  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
M  CHG  1   4   1
M  STY  1   1 DAT
M  SAL   1  1  14
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
25

>  <Mol Weight>
220.339

>  <Formula>
C13H22N3

>  <target_species>
Human

>  <ligand>
quinpirole

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
5.75

>  <pubmed_id>
12388666|15322733

$$$$

  Mrv1632106031619162D          

 15 16  0  0  1  0            999 V2000
   -1.4604    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7845    0.1271    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575    0.3126    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  2 15  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CdId>
26

>  <Mol Weight>
227.69

>  <Formula>
C11H13ClFN2

>  <target_species>
Human

>  <ligand>
Ro 60-0175

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.3

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 17 19  0  0  0  0            999 V2000
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1781    3.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739    4.5442    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1809    4.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358    3.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
M  CHG  1  15   1
M  STY  1   1 DAT
M  SAL   1  1  11
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
28

>  <Mol Weight>
229.302

>  <Formula>
C14H17N2O

>  <target_species>
Human

>  <ligand>
RU 24969

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
6.9

>  <pubmed_id>
15322733|8450835

$$$$

  Mrv1632106031619162D          

 17 20  0  0  1  0            999 V2000
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    3.9934    0.8250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    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
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
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  6  7  1  0  0  0  0
  5  4  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CdId>
29

>  <Mol Weight>
229.346

>  <Formula>
C15H21N2

>  <target_species>
Human

>  <ligand>
SDZ SER-082

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.7

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 16 17  0  0  0  0            999 V2000
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M  CHG  1  12   1
M  END
>  <CdId>
31

>  <Mol Weight>
231.242

>  <Formula>
C11H14F3N2

>  <target_species>
Human

>  <ligand>
TFMPP

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.2

>  <pubmed_id>
15322733|8450835

$$$$

  Mrv1632106031619162D          

 17 19  0  0  1  0            999 V2000
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    0.3245    1.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874   -1.4109    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
  7 16  4  0  0  0  0
  2 17  1  0  0  0  0
M  CHG  1  17   1
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
32

>  <Mol Weight>
231.318

>  <Formula>
C14H19N2O

>  <target_species>
Human

>  <ligand>
AL-37350A

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.3

>  <pubmed_id>
12954071

$$$$

  Mrv1632106031619162D          

 17 18  0  0  0  0            999 V2000
   -4.2080   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4935   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6700   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3730   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    0.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349    0.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418    1.0133    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
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  5  6  1  0  0  0  0
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  9 10  4  0  0  0  0
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 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   9
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
33

>  <Mol Weight>
232.283

>  <Formula>
C13H16N2O2

>  <target_species>
Human

>  <ligand>
melatonin

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
5.2

>  <pubmed_id>
12750432

$$$$

  Mrv1632106031619162D          

 17 19  0  0  1  0            999 V2000
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6378    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385    4.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455    4.5775    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6580    3.8630    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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  6  7  4  0  0  0  0
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  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
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  6 17  1  0  0  0  0
 10  9  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CdId>
34

>  <Mol Weight>
234.318

>  <Formula>
C14H20NO2

>  <target_species>
Human

>  <ligand>
ORG-37684

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.4

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 18 19  0  0  0  0            999 V2000
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   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  4  0  0  0  0
  1 16  4  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CdId>
35

>  <Mol Weight>
243.306

>  <Formula>
C15H17NO2

>  <target_species>
Human

>  <ligand>
agomelatine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.6

>  <pubmed_id>
12750432

$$$$

  Mrv1632106031619162D          

 18 19  0  0  0  0            999 V2000
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    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
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  8 15  4  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CdId>
37

>  <Mol Weight>
248.389

>  <Formula>
C16H26NO

>  <target_species>
Human

>  <ligand>
8-OH-DPAT

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
5.4

>  <pubmed_id>
15322733|8450835

$$$$

  Mrv1632106031619162D          

 18 19  0  0  0  0            999 V2000
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M  CHG  1  15   1
M  STY  1   1 DAT
M  SAL   1  1  13
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
39

>  <Mol Weight>
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>  <Formula>
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>  <target_species>
Human

>  <ligand>
pindolol

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
5.7

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

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M  CHG  1  14   1
M  END
>  <CdId>
40

>  <Mol Weight>
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>  <Formula>
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>  <target_species>
Human

>  <ligand>
VER-3323

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.5

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

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M  CHG  1   2   1
M  END
>  <CdId>
42

>  <Mol Weight>
265.379

>  <Formula>
C18H21N2

>  <target_species>
Human

>  <ligand>
mianserin

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.35

>  <pubmed_id>
15322733|9459568|10455251|8450835

$$$$

  Mrv1632106031619162D          

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M  CHG  1  13   1
M  END
>  <CdId>
43

>  <Mol Weight>
266.67

>  <Formula>
C10H12ClF3N3

>  <target_species>
Human

>  <ligand>
Org 12962

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.0

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 20 23  0  0  1  0            999 V2000
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M  CHG  1   2   1
M  END
>  <CdId>
44

>  <Mol Weight>
268.335

>  <Formula>
C17H18NO2

>  <target_species>
Human

>  <ligand>
apomorphine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.9

>  <pubmed_id>
12388666

$$$$

  Mrv1632106031619162D          

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M  CHG  1  12   1
M  END
>  <CdId>
45

>  <Mol Weight>
275.165

>  <Formula>
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>  <target_species>
Human

>  <ligand>
brolamfetamine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.5

>  <pubmed_id>
15322733|9933142

$$$$

  Mrv1632106031619162D          

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  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
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 11 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  1   1   1
M  END
>  <CdId>
46

>  <Mol Weight>
282.342

>  <Formula>
C17H17FN3

>  <target_species>
Human

>  <ligand>
RS-127445

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
9.25

>  <pubmed_id>
15322733|10455251

$$$$

  Mrv1632106031619162D          

 19 20  0  0  0  0            999 V2000
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M  CHG  1  17   1
M  END
>  <CdId>
47

>  <Mol Weight>
282.43

>  <Formula>
C14H24N3OS

>  <target_species>
Human

>  <ligand>
xanomeline

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
7.7

>  <pubmed_id>
9884068

$$$$

  Mrv1632106031619162D          

 20 22  0  0  0  0            999 V2000
    6.1567    2.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <CdId>
48

>  <Mol Weight>
286.35

>  <Formula>
C14H14N4OS

>  <target_species>
Human

>  <ligand>
SB 204741

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.9

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 20 22  0  0  0  0            999 V2000
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M  CHG  1  20   1
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
49

>  <Mol Weight>
287.4

>  <Formula>
C16H19N2OS

>  <target_species>
Human

>  <ligand>
BW723C86

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.95

>  <pubmed_id>
15322733|15466450|12970106

$$$$

  Mrv1632106031619162D          

 22 25  0  0  0  0            999 V2000
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M  END
>  <CdId>
50

>  <Mol Weight>
292.342

>  <Formula>
C17H16N4O

>  <target_species>
Human

>  <ligand>
SB 206553

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.05

>  <pubmed_id>
15322733|15466450

$$$$

  Mrv1632106031619162D          

 21 22  0  0  0  0            999 V2000
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M  CHG  1  10   1
M  END
>  <CdId>
51

>  <Mol Weight>
296.313

>  <Formula>
C16H17F3NO

>  <target_species>
Human

>  <ligand>
norfluoxetine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
5.3

>  <pubmed_id>
11104741

$$$$

  Mrv1632106031619162D          

 22 24  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  4  0  0  0  0
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 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
M  CHG  1  12   1
M  END
>  <CdId>
53

>  <Mol Weight>
296.433

>  <Formula>
C20H26NO

>  <target_species>
Human

>  <ligand>
glemanserin

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
5.5

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 22 25  0  0  0  0            999 V2000
    8.3536   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6391    1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
M  CHG  1   7   1
M  END
>  <CdId>
54

>  <Mol Weight>
299.353

>  <Formula>
C16H19N4O2

>  <target_species>
Human

>  <ligand>
piribedil

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
5.9

>  <pubmed_id>
12388666

$$$$

  Mrv1632106031619162D          

 22 23  0  0  0  0            999 V2000
   -7.4781   -2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1851    0.3711    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
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  6  5  1  0  0  0  0
 11 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
M  CHG  1   6   1
M  END
>  <CdId>
55

>  <Mol Weight>
302.401

>  <Formula>
C16H24N5O

>  <target_species>
Human

>  <ligand>
tegaserod

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.4

>  <pubmed_id>
15466450

$$$$

  Mrv1632106031619162D          

 22 23  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  3  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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 19 22  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CdId>
56

>  <Mol Weight>
310.34

>  <Formula>
C17H19F3NO

>  <target_species>
Human

>  <ligand>
fluoxetine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
5.3

>  <pubmed_id>
11104741

$$$$

  Mrv1632106031619162D          

 22 25  0  0  1  0            999 V2000
    3.9934   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 22  4  0  0  0  0
 11 10  1  0  0  0  0
  6  7  1  0  0  0  0
 12  4  1  0  0  0  0
M  CHG  1   4   1
M  STY  1   1 DAT
M  SAL   1  1  16
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
57

>  <Mol Weight>
315.5

>  <Formula>
C19H27N2S

>  <target_species>
Human

>  <ligand>
pergolide

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.2

>  <pubmed_id>
12388666

$$$$

  Mrv1632106031619162D          

 15 15  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7 14  1  0  0  0  0
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M  CHG  1  12   1
M  END
>  <CdId>
63

>  <Mol Weight>
322.166

>  <Formula>
C11H17INO2

>  <target_species>
Human

>  <ligand>
DOI

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.65

>  <pubmed_id>
9933142|8078486|12970106|8450835|15322733|12954071|9857084|8078486

$$$$

  Mrv1632106031619162D          

 24 27  0  0  1  0            999 V2000
    6.8513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    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
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10  8  1  0  0  0  0
  6  4  1  0  0  0  0
M  CHG  1   8   1
M  STY  1   1 DAT
M  SAL   1  1  22
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
64

>  <Mol Weight>
324.447

>  <Formula>
C20H26N3O

>  <target_species>
Human

>  <ligand>
LSD

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.65

>  <pubmed_id>
15322733|12213075|23519215|12738034

$$$$

  Mrv1632106031619162D          

 24 26  0  0  0  0            999 V2000
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -5.3625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
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  4 18  4  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  3   8   1  22   1  24  -1
M  END
>  <CdId>
67

>  <Mol Weight>
327.407

>  <Formula>
C18H23N4O2

>  <target_species>
Human

>  <ligand>
EGIS-7625

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
9.0

>  <pubmed_id>
15107597

$$$$

  Mrv1632106031619162D          

 23 26  0  0  0  0            999 V2000
    1.9594    3.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 10 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
  8 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
M  CHG  1   2   1
M  END
>  <CdId>
68

>  <Mol Weight>
327.84

>  <Formula>
C18H20ClN4

>  <target_species>
Human

>  <ligand>
clozapine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.9

>  <pubmed_id>
9732398|15322733|9459568

$$$$

  Mrv1632106031619162D          

 24 27  0  0  0  0            999 V2000
    1.6280    3.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  4  0  0  0  0
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 10 11  4  0  0  0  0
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 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
  8 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CdId>
69

>  <Mol Weight>
335.354

>  <Formula>
C17H18F3N4

>  <target_species>
Human

>  <ligand>
CGS-12066

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
6.1

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 23 26  0  0  0  0            999 V2000
    6.8513    0.8250    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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  9 19  1  0  0  0  0
 19 20  4  0  0  0  0
 12 20  4  0  0  0  0
 15 20  4  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  1  21   1
M  STY  1   1 DAT
M  SAL   1  1  14
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
72

>  <Mol Weight>
335.45

>  <Formula>
C16H23N4O2S

>  <target_species>
Human

>  <ligand>
mesulergine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.65

>  <pubmed_id>
15322733|15107597|9459568|8450835|15322733

$$$$

  Mrv1632106031619162D          

 24 27  0  0  0  0            999 V2000
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    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  3  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
>  <CdId>
73

>  <Mol Weight>
337.81

>  <Formula>
C19H16ClN3O

>  <target_species>
Human

>  <ligand>
SB 215505

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.3

>  <pubmed_id>
10188965

$$$$

  Mrv1632106031619162D          

 25 28  0  0  1  0            999 V2000
    7.5658    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  6  1  0  0  0  0
 11  9  1  0  0  0  0
M  CHG  1   9   1
M  STY  1   1 DAT
M  SAL   1  1  23
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
74

>  <Mol Weight>
339.462

>  <Formula>
C20H27N4O

>  <target_species>
Human

>  <ligand>
lisuride

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.9

>  <pubmed_id>
12388666

$$$$

  Mrv1632106031619162D          

 25 28  0  0  1  0            999 V2000
    7.5658    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    2.4750    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11  9  1  0  0  0  0
  7  5  1  0  0  0  0
  3  4  1  0  0  0  0
M  CHG  1   9   1
M  STY  1   1 DAT
M  SAL   1  1  23
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
75

>  <Mol Weight>
340.446

>  <Formula>
C20H26N3O2

>  <target_species>
Human

>  <ligand>
methylergonovine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
9.3

>  <pubmed_id>
15322733|11104741

$$$$

  Mrv1632106031619162D          

 25 28  0  0  1  0            999 V2000
    7.5658    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 13  1  0  0  0  0
 11  9  1  0  0  0  0
  7  6  1  0  0  0  0
M  CHG  1   9   1
M  STY  1   1 DAT
M  SAL   1  1  23
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
76

>  <Mol Weight>
341.478

>  <Formula>
C20H29N4O

>  <target_species>
Human

>  <ligand>
terguride

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.2

>  <pubmed_id>
12388666

$$$$

  Mrv1632106031619162D          

 24 27  0  0  0  0            999 V2000
   -4.8510    3.8691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3431    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262    3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182    2.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3273    1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1443    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6522    2.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    1.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5478    0.8814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673    1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    0.9256    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7575    0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5644    0.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  CHG  1  12   1
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
77

>  <Mol Weight>
341.86

>  <Formula>
C20H22ClN2O

>  <target_species>
Human

>  <ligand>
L-741,626

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.2

>  <pubmed_id>
10869410

$$$$

  Mrv1632106031619162D          

 25 28  0  0  0  0            999 V2000
    7.5658    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  3 24  1  0  0  0  0
  2 25  1  0  0  0  0
M  CHG  1   9   1
M  STY  1   1 DAT
M  SAL   1  1  23
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
78

>  <Mol Weight>
343.446

>  <Formula>
C20H27N2O3

>  <target_species>
Rat

>  <ligand>
LY86057

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
7.9

>  <pubmed_id>
8450835

$$$$

  Mrv1632106031619162D          

 26 29  0  0  0  0            999 V2000
    4.0668    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0768    3.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0470    5.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6880    5.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0049    7.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8118    7.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0668    8.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147    8.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078    8.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528    7.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 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
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  8 25  4  0  0  0  0
 25 26  4  0  0  0  0
  5 26  4  0  0  0  0
M  CHG  1  13   1
M  STY  1   1 DAT
M  SAL   1  1  26
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
79

>  <Mol Weight>
347.481

>  <Formula>
C23H27N2O

>  <target_species>
Human

>  <ligand>
roxindole

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
7.5

>  <pubmed_id>
12388666

$$$$

  Mrv1632106031619162D          

 26 29  0  0  0  0            999 V2000
    5.0645   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1347   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -1.7698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7908   -3.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0457   -2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3428   -4.0507    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  4  0  0  0  0
  6 15  4  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
  2 26  1  0  0  0  0
M  CHG  1   2   1
M  STY  1   1 DAT
M  SAL   1  1  15
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
80

>  <Mol Weight>
352.433

>  <Formula>
C21H23FN3O

>  <target_species>
Human

>  <ligand>
LY344864

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
5.8

>  <pubmed_id>
9395253

$$$$

  Mrv1632106031619162D          

 24 26  0  0  0  0            999 V2000
    2.7845   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    2.7604    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970    1.6335    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    3.0624    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536    3.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    3.1465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9083    4.5442    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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  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
 12 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
>  <CdId>
81

>  <Mol Weight>
353.36

>  <Formula>
C16H14F3N3OS

>  <target_species>
Human

>  <ligand>
SB 221284

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.6

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 26 29  0  0  1  0            999 V2000
    7.5658    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1368    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    2.4750    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 23 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7  5  1  0  0  0  0
  3  4  1  0  0  0  0
 11  9  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CdId>
83

>  <Mol Weight>
354.473

>  <Formula>
C21H28N3O2

>  <target_species>
Human

>  <ligand>
methysergide

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.7

>  <pubmed_id>
15322733|11104741|9459568|8450835

$$$$

  Mrv1632106031619162D          

 26 30  0  0  0  0            999 V2000
    5.3837    3.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559    2.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3069    2.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3896    1.1913    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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 24 25  4  0  0  0  0
 13 25  4  0  0  0  0
  6 26  1  0  0  0  0
M  CHG  1  17   1
M  STY  1   1 DAT
M  SAL   1  1  25
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
84

>  <Mol Weight>
355.457

>  <Formula>
C21H27N2O3

>  <target_species>
Human

>  <ligand>
rauwolscine/yohimbine

>  <type>
Antagonist

>  <affinity_units>
pKd

>  <affinity>
8.4

>  <pubmed_id>
9459568|8450835|8078486|10455251

$$$$

  Mrv1632106031619162D          

 24 27  0  0  0  0            999 V2000
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M  CHG  1  21   1
M  END
>  <CdId>
89

>  <Mol Weight>
357.55

>  <Formula>
C20H25N2S2

>  <target_species>
Human

>  <ligand>
methiothepin

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.95

>  <pubmed_id>
15322733|9459568

$$$$

  Mrv1632106031619162D          

 26 29  0  0  0  0            999 V2000
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  6 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CdId>
90

>  <Mol Weight>
368.51

>  <Formula>
C22H26NO2S

>  <target_species>
Human

>  <ligand>
BF-1

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
10.05

>  <pubmed_id>
25666387

$$$$

  Mrv1632106031619162D          

 27 30  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 15 27  4  0  0  0  0
M  CHG  1   5   1
M  END
>  <CdId>
91

>  <Mol Weight>
370.516

>  <Formula>
C22H32N3O2

>  <target_species>
Human

>  <ligand>
piboserod

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.45

>  <pubmed_id>
11504648|15466450

$$$$

  Mrv1632106031619162D          

 26 29  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 11 13  1  0  0  0  0
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 22 26  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CdId>
93

>  <Mol Weight>
372.88

>  <Formula>
C19H23ClN5O

>  <target_species>
Human

>  <ligand>
trazodone

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
7.1

>  <pubmed_id>
15322733|11104741

$$$$

  Mrv1632106031619162D          

 27 29  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
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  3  4  4  0  0  0  0
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  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CdId>
94

>  <Mol Weight>
374.476

>  <Formula>
C22H29FNO3

>  <target_species>
Human

>  <ligand>
volinanserin

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.0

>  <pubmed_id>
15322733|10188965

$$$$

  Mrv1632106031619162D          

 26 28  0  0  0  0            999 V2000
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  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 11 12  1  0  0  0  0
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 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
M  CHG  1  13   1
M  END
>  <CdId>
95

>  <Mol Weight>
376.88

>  <Formula>
C21H24ClFNO2

>  <target_species>
Human

>  <ligand>
haloperidol

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.1

>  <pubmed_id>
9459568

$$$$

  Mrv1632106031619162D          

 28 32  0  0  0  0            999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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  9 12  1  0  0  0  0
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 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  CHG  1   9   1
M  END
>  <CdId>
96

>  <Mol Weight>
380.467

>  <Formula>
C22H26N3O3

>  <target_species>
Human

>  <ligand>
spiroxatrine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.55

>  <pubmed_id>
9459568

$$$$

  Mrv1632106031619162D          

 28 31  0  0  0  0            999 V2000
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 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  CHG  1  12   1
M  END
>  <CdId>
97

>  <Mol Weight>
384.475

>  <Formula>
C22H27FN3O2

>  <target_species>
Human

>  <ligand>
spiramide

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.0

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

 28 31  0  0  1  0            999 V2000
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   -1.3715   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715    1.1270    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
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 13 23  1  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 13 11  1  0  0  0  0
  9  7  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CdId>
99

>  <Mol Weight>
385.527

>  <Formula>
C23H33N2O3

>  <target_species>
Human

>  <ligand>
LY53857

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.95

>  <pubmed_id>
9459568|8450835

$$$$

  Mrv1632106031619162D          

 28 31  0  0  0  0            999 V2000
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    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 20 21  4  0  0  0  0
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 19 24  4  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CdId>
100

>  <Mol Weight>
386.443

>  <Formula>
C22H25FNO4

>  <target_species>
Human

>  <ligand>
S 16924

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.4

>  <pubmed_id>
9732398

$$$$

  Mrv1632106031619162D          

 29 33  0  0  0  0            999 V2000
   -1.3715    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  4  0  0  0  0
  6 25  4  0  0  0  0
 25 26  4  0  0  0  0
  4 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
M  CHG  1  13   1
M  END
>  <CdId>
101

>  <Mol Weight>
394.582

>  <Formula>
C25H36N3O

>  <target_species>
Rat

>  <ligand>
amesergide

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.0

>  <pubmed_id>
8450835

$$$$

  Mrv1632106031619162D          

 28 31  0  0  0  0            999 V2000
    0.1536    1.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  7  1  0  0  0  0
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 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 11 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CdId>
102

>  <Mol Weight>
394.86

>  <Formula>
C21H19ClN4O2

>  <target_species>
Human

>  <ligand>
SB 242084

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.9

>  <pubmed_id>
15322733|9225286

$$$$

  Mrv1632106031619162D          

 29 32  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 22 29  4  0  0  0  0
M  CHG  1  13   1
M  STY  1   1 DAT
M  SAL   1  1  21
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
104

>  <Mol Weight>
396.442

>  <Formula>
C22H23FN3O3

>  <target_species>
Human

>  <ligand>
ketanserin

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.4

>  <pubmed_id>
15322733|8845011|12738034|8078486|9459568|8450835

$$$$

  Mrv1632106031619162D          

 29 32  0  0  0  0            999 V2000
    8.6945    1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9820    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 29  4  0  0  0  0
M  CHG  1  13   1
M  END
>  <CdId>
106

>  <Mol Weight>
396.486

>  <Formula>
C23H27FN3O2

>  <target_species>
Human

>  <ligand>
spiperone

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.2

>  <pubmed_id>
15322733|8078486|9459568|8450835

$$$$

  Mrv1632106031619162D          

 30 34  0  0  1  0            999 V2000
    6.1368    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
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  5 10  4  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 18 20  1  0  0  0  0
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 29 30  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 13 12  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CdId>
108

>  <Mol Weight>
404.533

>  <Formula>
C25H30N3O2

>  <target_species>
Human

>  <ligand>
metergoline

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.8

>  <pubmed_id>
15322733|8450835

$$$$

  Mrv1632106031619162D          

 29 32  0  0  0  0            999 V2000
   -4.2868   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
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  6  8  1  0  0  0  0
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 11 14  1  0  0  0  0
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 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 15 29  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CdId>
109

>  <Mol Weight>
407.96

>  <Formula>
C25H28ClN2O

>  <target_species>
Human

>  <ligand>
BRL-15572

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.4

>  <pubmed_id>
9303567

$$$$

  Mrv1632106031619162D          

 31 34  0  0  0  0            999 V2000
    0.1536    1.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CdId>
110

>  <Mol Weight>
428.415

>  <Formula>
C22H19F3N4O2

>  <target_species>
Human

>  <ligand>
SB 243213

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
7.0

>  <pubmed_id>
10737744

$$$$

  Mrv1632106031619162D          

 31 32  0  0  0  0            999 V2000
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  5  6  1  0  0  0  0
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  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
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 19 20  4  0  0  0  0
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 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CdId>
111

>  <Mol Weight>
430.52

>  <Formula>
C24H32NO6

>  <target_species>
Human

>  <ligand>
sarpogrelate

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.6

>  <pubmed_id>
12738034

$$$$

  Mrv1632106031619162D          

 31 34  0  0  0  0            999 V2000
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  5  9  4  0  0  0  0
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 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
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 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
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 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
M  END
>  <CdId>
112

>  <Mol Weight>
431.391

>  <Formula>
C22H17F4N3O2

>  <target_species>
Human

>  <ligand>
SB 228357

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.05

>  <pubmed_id>
10188965|10737744

$$$$

  Mrv1632106031619162D          

 33 37  0  0  0  0            999 V2000
   -2.1434   10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  3  8  4  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 24 25  4  0  0  0  0
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 29 30  4  0  0  0  0
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 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 15 14  1  0  0  0  0
 18 21  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CdId>
113

>  <Mol Weight>
439.582

>  <Formula>
C28H31N4O

>  <target_species>
Human

>  <ligand>
SB 277011-A

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
5.9

>  <pubmed_id>
10945872

$$$$

  Mrv1632106031619162D          

 34 38  0  0  1  0            999 V2000
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  1  2  3  0  0  0  0
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 33 34  4  0  0  0  0
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  9 10  1  0  0  0  0
 13 12  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CdId>
114

>  <Mol Weight>
452.577

>  <Formula>
C29H30N3O2

>  <target_species>
Human

>  <ligand>
S33084

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.8

>  <pubmed_id>
10869410

$$$$

  Mrv1632106031619162D          

 33 36  0  0  1  0            999 V2000
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 31 33  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
  6 20  1  0  0  0  0
M  CHG  2   4   1  31   1
M  STY  1   1 DAT
M  SAL   1  1  13
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
115

>  <Mol Weight>
453.63

>  <Formula>
C26H39N5O2

>  <target_species>
Human

>  <ligand>
cabergoline

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.9

>  <pubmed_id>
12388666

$$$$

  Mrv1632106031619162D          

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M  CHG  1  22   1
M  END
>  <CdId>
116

>  <Mol Weight>
457.93

>  <Formula>
C23H26ClN4O4

>  <target_species>
Human

>  <ligand>
capeserod

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
5.8

>  <pubmed_id>
12130738

$$$$

  Mrv1632106031619162D          

 34 38  0  0  0  0            999 V2000
    7.6391    6.8854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 31 34  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CdId>
118

>  <Mol Weight>
478.58

>  <Formula>
C27H26F2N3OS

>  <target_species>
Human

>  <ligand>
ritanserin

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
8.95

>  <pubmed_id>
15322733|10188965|9459568|10455251|8450835

$$$$

  Mrv1632106031619162D          

 36 39  0  0  0  0            999 V2000
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 34 36  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CdId>
119

>  <Mol Weight>
487.579

>  <Formula>
C28H31N4O4

>  <target_species>
Human

>  <ligand>
SB 216641

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
5.8

>  <pubmed_id>
9303567

$$$$

  Mrv1632106031619162D          

 34 36  0  0  0  0            999 V2000
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M  CHG  1  16   1
M  END
>  <CdId>
120

>  <Mol Weight>
493.98

>  <Formula>
C24H31ClFN4O4

>  <target_species>
Human

>  <ligand>
relenopride

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.51

>  <pubmed_id>
25316608

$$$$

  Mrv1632106031619162D          

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M  CHG  1  12   1
M  END
>  <CdId>
121

>  <Mol Weight>
498.606

>  <Formula>
C29H32N5O3

>  <target_species>
Human

>  <ligand>
GR 127935

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
6.2

>  <pubmed_id>
9303567

$$$$

  Mrv1632106031619162D          

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M  CHG  1   2   1
M  END
>  <CdId>
122

>  <Mol Weight>
521.64

>  <Formula>
C32H33N4O3

>  <target_species>
Human

>  <ligand>
SB 224289

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
5.9

>  <pubmed_id>
15322733

$$$$

  Mrv1632106031619162D          

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M  CHG  1  39   1
M  STY  1   1 DAT
M  SAL   1  1  32
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
123

>  <Mol Weight>
578.733

>  <Formula>
C32H44N5O5

>  <target_species>
Human

>  <ligand>
dihydroergocryptine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
7.48

>  <pubmed_id>
23519215

$$$$

  Mrv1632106031619162D          

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M  CHG  1   5   1
M  STY  1   1 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
124

>  <Mol Weight>
582.68

>  <Formula>
C33H36N5O5

>  <target_species>
Human

>  <ligand>
ergotamine

>  <type>
Agonist

>  <affinity_units>
pKi

>  <affinity>
8.7

>  <pubmed_id>
15322733|11104741

$$$$

  Mrv1632106031619162D          

 42 45  0  0  0  0            999 V2000
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M  CHG  1  17   1
M  END
>  <CdId>
125

>  <Mol Weight>
613.63

>  <Formula>
C27H32F3N4O7S

>  <target_species>
Human

>  <ligand>
RS-102221

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
6.05

>  <pubmed_id>
15322733|9225287

$$$$

  Mrv1632106031619162D          

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    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -1.0396    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.1195    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8252   -0.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966    0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8004    1.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4539    5.0151    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  1  0  0  0  0
 25 35  1  0  0  0  0
 34 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
 36 38  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
  2 43  1  0  0  0  0
 21 19  1  0  0  0  0
 25 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 12 42  1  0  0  0  0
 11  7  1  0  0  0  0
  4  3  1  0  0  0  0
M  CHG  1  23   1
M  STY  1   1 DAT
M  SAL   1  1  37
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
>  <CdId>
126

>  <Mol Weight>
655.613

>  <Formula>
C32H41BrN5O5

>  <target_species>
Human

>  <ligand>
bromocriptine

>  <type>
Antagonist

>  <affinity_units>
pKi

>  <affinity>
7.3

>  <pubmed_id>
12388666

$$$$
