9-16b
     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
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9-16b

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G.1

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0.600000

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0

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15-2
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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15-2

>  <Family>  (2) 
G.1

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8.700000

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0.320000

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0.660000

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0

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$$$$
10-2a
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (3) 
10-2a

>  <Family>  (3) 
G.1

>  <PC_uM>  (3) 
0.600000

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0.099000

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0.390000

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0

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$$$$
10-8a
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (4) 
10-8a

>  <Family>  (4) 
G.1

>  <PC_uM>  (4) 
1.000000

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1.000000

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0

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$$$$
10-11a
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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10-11a

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G.1

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6-13
     RDKit          3D

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6-13

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G.2

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6-26
     RDKit          3D

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  1  2  2  0
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M  END
>  <Name>  (7) 
6-26

>  <Family>  (7) 
G.2

>  <PC_uM>  (7) 
9.700000

>  <TG_uM>  (7) 
N/A

>  <RL_uM>  (7) 
3.500000

>  <set>  (7) 
2

>  <Similarity>  (7) 
0.47272727272727272

$$$$
10-17a
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
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   -2.9565   -1.0092   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0
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M  END
>  <Name>  (8) 
10-17a

>  <Family>  (8) 
G.2

>  <PC_uM>  (8) 
>32

>  <TG_uM>  (8) 
>32

>  <RL_uM>  (8) 
>32

>  <set>  (8) 
2

>  <Similarity>  (8) 
0.46100116414435388

$$$$
41-4i
     RDKit          3D

 27 31  0  0  0  0  0  0  0  0999 V2000
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   -3.2315   -4.4745    1.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0899   -3.9684    1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6984   -2.7151    0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2512   -4.0939    1.6570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543   -3.1456    0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0749   -2.3886    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -1.2538   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4212    4.8123    1.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  6  1  0
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 24 25  1  0
 25 26  2  0
M  END
>  <Name>  (9) 
41-4i

>  <Family>  (9) 
N.2

>  <PC_uM>  (9) 
19.300000

>  <TG_uM>  (9) 
>38

>  <RL_uM>  (9) 
>38

>  <set>  (9) 
0

>  <Similarity>  (9) 
0.45196647324306899

$$$$
29-3a
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   -2.1250   -3.7607    3.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028   -4.3667    2.9160 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1964   -2.6626    3.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5300   -2.1129    4.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4888   -2.0980    2.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1638    0.5780    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.5041    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5894    0.7532    2.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  2  3  1  0
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 10 11  2  0
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 11 12  1  0
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 13 22  1  0
 16 17  1  0
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 18 19  1  0
 19 20  1  0
 20 21  1  0
 22 23  1  0
M  END
>  <Name>  (10) 
29-3a

>  <Family>  (10) 
Q

>  <PC_uM>  (10) 
19.000000

>  <TG_uM>  (10) 
6.500000

>  <RL_uM>  (10) 
44.000000

>  <set>  (10) 
2

>  <Similarity>  (10) 
0.48203939745075319

$$$$
29-3b
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.0958   -2.7221    5.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715   -3.8127    4.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9390   -0.9171    2.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405   -0.6982    1.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7209    0.4728    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7255    1.4305    0.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385    1.2204    1.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
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 21 24  1  0
 22 23  1  0
M  END
>  <Name>  (11) 
29-3b

>  <Family>  (11) 
Q

>  <PC_uM>  (11) 
14.000000

>  <TG_uM>  (11) 
9.200000

>  <RL_uM>  (11) 
29.000000

>  <set>  (11) 
0

>  <Similarity>  (11) 
0.48036951501154734

$$$$
29-3c
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 21 24  1  0
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 24 25  1  0
M  END
>  <Name>  (12) 
29-3c

>  <Family>  (12) 
Q

>  <PC_uM>  (12) 
5.600000

>  <TG_uM>  (12) 
5.000000

>  <RL_uM>  (12) 
11.000000

>  <set>  (12) 
0

>  <Similarity>  (12) 
0.48152424942263278

$$$$
29-3d
     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (13) 
29-3d

>  <Family>  (13) 
Q

>  <PC_uM>  (13) 
44.000000

>  <TG_uM>  (13) 
15.000000

>  <RL_uM>  (13) 
30.000000

>  <set>  (13) 
0

>  <Similarity>  (13) 
0.48152424942263278

$$$$
29-3e
     RDKit          3D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.4284   -3.9815    5.7845 N   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0
M  END
>  <Name>  (14) 
29-3e

>  <Family>  (14) 
Q

>  <PC_uM>  (14) 
51.000000

>  <TG_uM>  (14) 
32.000000

>  <RL_uM>  (14) 
86.000000

>  <set>  (14) 
0

>  <Similarity>  (14) 
0.48152424942263278

$$$$
29-3g
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.5661   -3.1799    4.4843 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9681   -4.3009    3.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053   -4.8982    2.8889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -4.3093    2.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3461   -3.1500    3.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192   -2.6118    4.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -2.5608    2.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5157    0.7847    0.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 23  1  0
 21 22  1  0
 23 24  2  0
 23 25  1  0
M  END
>  <Name>  (15) 
29-3g

>  <Family>  (15) 
Q

>  <PC_uM>  (15) 
0.049000

>  <TG_uM>  (15) 
0.110000

>  <RL_uM>  (15) 
3.900000

>  <set>  (15) 
0

>  <Similarity>  (15) 
0.49537037037037035

$$$$
29-3f
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.9399   -1.7265    4.6344 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6653   -2.1994    3.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2145   -2.3228    2.3692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9456   -1.9254    2.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1122   -1.4122    3.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785   -1.3279    4.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810   -0.9586    2.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443    0.4596    2.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1524    0.6680    0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1773    1.9521    0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3698    3.0421    1.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684    2.8541    2.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
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 20 21  1  0
 22 23  2  0
 22 24  1  0
M  END
>  <Name>  (16) 
29-3f

>  <Family>  (16) 
Q

>  <PC_uM>  (16) 
0.250000

>  <TG_uM>  (16) 
0.180000

>  <RL_uM>  (16) 
2.600000

>  <set>  (16) 
1

>  <Similarity>  (16) 
0.49017341040462425

$$$$
50-19
     RDKit          3D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.0910    1.1799   -0.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0290    3.2188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9469   -1.4048    0.0327 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  6  1  0
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 13 14  2  0
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M  END
>  <Name>  (17) 
50-19

>  <Family>  (17) 
misc

>  <PC_uM>  (17) 
>352

>  <TG_uM>  (17) 
101.000000

>  <RL_uM>  (17) 
30.000000

>  <set>  (17) 
1

>  <Similarity>  (17) 
0.45128939828080228

$$$$
50-20
     RDKit          3D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.8293    0.9659   -0.3168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7335   -0.3347   -0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0
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M  END
>  <Name>  (18) 
50-20

>  <Family>  (18) 
misc

>  <PC_uM>  (18) 
>205

>  <TG_uM>  (18) 
20.000000

>  <RL_uM>  (18) 
29.000000

>  <set>  (18) 
1

>  <Similarity>  (18) 
0.56619483763530387

$$$$
51-6
     RDKit          3D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -3.8367    1.1699   -0.6864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6639   -0.1482   -0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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$$$$
51-7
     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
51-9
     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
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$$$$
51-8
     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
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$$$$
