
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 30 31  0  0  0  0  0  0  0  0999 V2000
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    3.2885    2.2979    0.0146 C   0  0  0  0  0  0
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    4.7918    3.1344   -0.0351 Cl  0  0  0  0  0  0
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  2 13  1  0  0  0
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 17 29  1  0  0  0
 17 30  1  0  0  0
M  END
>  <Name>
1-pyrimethamine

>  <Family>
A

>  <PC_uM>
3.7

>  <TG_uM>
0.39

>  <RL_uM>
2.3

>  <set>
1

$$$$

  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.8168    0.2065    0.4735 N   0  0  0  0  0  0
   -2.8206   -1.1045    0.2371 C   0  0  0  0  0  0
   -1.7327   -1.8208   -0.0438 N   0  0  0  0  0  0
   -0.5439   -1.1720   -0.0988 C   0  0  0  0  0  0
   -0.4317    0.1989    0.1374 C   0  0  0  0  0  0
   -1.6324    0.8424    0.4390 C   0  0  0  0  0  0
    0.8521    0.9130    0.0752 C   0  0  0  0  0  0
    1.6858    0.9917    1.2029 C   0  0  0  0  0  0
    2.9119    1.6650    1.1430 C   0  0  0  0  0  0
    3.3184    2.2713   -0.0498 C   0  0  0  0  0  0
    2.4965    2.2018   -1.1763 C   0  0  0  0  0  0
    1.2730    1.5284   -1.1135 C   0  0  0  0  0  0
   -4.0128   -1.7579    0.2830 N   0  0  0  0  0  0
   -1.6980    2.2076    0.6534 N   0  0  0  0  0  0
    4.8189    3.1175   -0.1945 Cl  0  0  0  0  0  0
    0.3929   -3.4780   -0.7058 C   0  0  0  0  0  0
    0.6782   -2.0057   -0.4320 C   0  0  0  0  0  0
    3.8777    1.7088    2.5773 Cl  0  0  0  0  0  0
    1.3763    0.5224    2.1357 H   0  0  0  0  0  0
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 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
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 13 23  1  0  0  0
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 16 17  1  0  0  0
 16 26  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
M  END
>  <Name>
1-3062

>  <Family>
A

>  <PC_uM>
1.08

>  <TG_uM>
0.094

>  <RL_uM>
0.19

>  <set>
0

$$$$
