ligand_257
  SciTegic09172218193D

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M  CHG  1   1  -1
M  END
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ligand_257

> <OBJECTID>
9223373905168891916

> <activity>
1

> <MY_Bayesian>
40.8744216244186

> <MY_Bayesian#Enrichment>
2.0678733028029

> <MY_Bayesian#EstPGood>
0.999999999823722

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
4.52488687782805e-003

$$$$
ligand_239
  SciTegic09172218193D

 76 80  0  0  1  0            999 V2000
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M  CHG  1  34  -1
M  END
> <Name>
ligand_239

> <OBJECTID>
9223373630290984972

> <activity>
1

> <MY_Bayesian>
39.8746152999777

> <MY_Bayesian#Enrichment>
2.0678733024762

> <MY_Bayesian#EstPGood>
0.999999999665735

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
9.04977375565611e-003

$$$$
ligand_166
  SciTegic09172218193D

 72 77  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
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ligand_166

> <OBJECTID>
9223373879399088140

> <activity>
1

> <MY_Bayesian>
39.6147375392126

> <MY_Bayesian#Enrichment>
2.06787330235199

> <MY_Bayesian#EstPGood>
0.999999999605669

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
1.35746606334842e-002

$$$$
ligand_14
  SciTegic09172218193D

 68 73  0  0  1  0            999 V2000
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M  CHG  1  41  -1
M  END
> <Name>
ligand_14

> <OBJECTID>
9223373699010461708

> <activity>
1

> <MY_Bayesian>
38.768252844145

> <MY_Bayesian#Enrichment>
2.06787330177475

> <MY_Bayesian#EstPGood>
0.999999999326521

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
1.80995475113122e-002

$$$$
ligand_104
  SciTegic09172218193D

 69 73  0  0  1  0            999 V2000
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M  CHG  1  37  -1
M  END
> <Name>
ligand_104

> <OBJECTID>
9223373613111115788

> <activity>
1

> <MY_Bayesian>
38.7344370229713

> <MY_Bayesian#Enrichment>
2.06787330174463

> <MY_Bayesian#EstPGood>
0.999999999311953

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
2.26244343891403e-002

$$$$
ligand_88
  SciTegic09172218193D

 73 77  0  0  1  0            999 V2000
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M  CHG  1  40  -1
M  END
> <Name>
ligand_88

> <OBJECTID>
9223372054037987340

> <activity>
1

> <MY_Bayesian>
38.693662448336

> <MY_Bayesian#Enrichment>
2.06787330170794

> <MY_Bayesian#EstPGood>
0.999999999294212

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
2.71493212669683e-002

$$$$
ligand_19
  SciTegic09172218193D

 63 67  0  0  1  0            999 V2000
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true

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false

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0

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3.16742081447964e-002

$$$$
ligand_46
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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ligand_46

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true

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true

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true

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false

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0

> <%TP>
3.61990950226244e-002

$$$$
ligand_40
  SciTegic09172218193D

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M  END
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ligand_40

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> <activity>
1

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37.8872903035487

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4.07239819004525e-002

$$$$
ligand_117
  SciTegic09172218193D

 68 73  0  0  1  0            999 V2000
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 37 38  1  0
M  END
> <Name>
ligand_117

> <OBJECTID>
9223372290261188620

> <activity>
1

> <MY_Bayesian>
37.7743630329753

> <MY_Bayesian#Enrichment>
2.06787330057136

> <MY_Bayesian#EstPGood>
0.999999998744574

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
4.52488687782805e-002

$$$$
ligand_22
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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M  CHG  1  36  -1
M  END
> <Name>
ligand_22

> <OBJECTID>
9223372663923343372

> <activity>
1

> <MY_Bayesian>
37.421227684801

> <MY_Bayesian#Enrichment>
2.06787329993344

> <MY_Bayesian#EstPGood>
0.999999998436085

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
4.97737556561086e-002

$$$$
ligand_21
  SciTegic09172218193D

 72 76  0  0  1  0            999 V2000
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 37 38  1  0
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M  END
> <Name>
ligand_21

> <OBJECTID>
9223373273808699404

> <activity>
1

> <MY_Bayesian>
37.2627593687448

> <MY_Bayesian#Enrichment>
2.06787329959905

> <MY_Bayesian#EstPGood>
0.999999998274378

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
5.42986425339367e-002

$$$$
ligand_113
  SciTegic09172218193D

 69 73  0  0  1  0            999 V2000
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   16.1235  -18.6632   -0.9699 C   0  0
   15.5526  -18.8338    0.4544 C   0  0
   14.5444  -20.0038    0.5558 C   0  0  1  0  0  0
   15.1472  -21.3113    0.0050 C   0  0
   15.6880  -21.1528   -1.4304 C   0  0
   14.1146  -20.2491    1.8930 O   0  0
   13.2637  -19.2558    2.4694 C   0  0
   12.8115  -19.7150    3.8662 C   0  0
   13.2038  -20.8203    4.3057 O   0  5
   12.0592  -18.9306    4.4860 O   0  0
   24.0235  -22.2687    3.0211 C   0  0
   23.7997  -20.9701    2.5595 C   0  0
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   22.1760  -23.0603    1.7106 C   0  0
   21.9590  -21.7408    1.2472 C   0  0
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M  CHG  1  10  -1
M  END
> <Name>
ligand_113

> <OBJECTID>
9223373475672162316

> <activity>
1

> <MY_Bayesian>
37.1040921676268

> <MY_Bayesian#Enrichment>
2.06787329923021

> <MY_Bayesian#EstPGood>
0.999999998096011

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
5.88235294117647e-002

$$$$
ligand_133
  SciTegic09172218193D

 65 69  0  0  1  0            999 V2000
   24.8995  -20.2129    5.3001 C   0  0
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   22.9994  -22.9846    1.2268 C   0  0  2  0  0  0
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   21.4942  -22.5742    1.0285 C   0  0
   23.0172  -23.9454   -1.0637 N   0  0
   24.6584  -24.5062    0.3897 O   0  0
   20.7636  -22.2875    2.3673 C   0  0
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M  CHG  1  35  -1
M  END
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true

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false

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0

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6.33484162895928e-002

$$$$
ligand_125
  SciTegic09172218193D

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M  CHG  1  36  -1
M  END
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ligand_125

> <OBJECTID>
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> <activity>
1

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true

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true

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false

> <%FP>
0

> <%TP>
6.78733031674208e-002

$$$$
ligand_238
  SciTegic09172218193D

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ligand_238

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36.8716119987104

> <MY_Bayesian#Enrichment>
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true

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true

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false

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0

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7.23981900452489e-002

$$$$
ligand_87
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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M  END
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ligand_87

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> <MY_Bayesian#Prediction>
true

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true

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false

> <%FP>
0

> <%TP>
7.69230769230769e-002

$$$$
ligand_54
  SciTegic09172218193D

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> <Name>
ligand_54

> <OBJECTID>
9223373364003012620

> <activity>
1

> <MY_Bayesian>
36.6327258521013

> <MY_Bayesian#Enrichment>
2.06787329789926

> <MY_Bayesian#EstPGood>
0.999999997452377

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
8.1447963800905e-002

$$$$
ligand_91
  SciTegic09172218193D

 59 63  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
> <Name>
ligand_91

> <OBJECTID>
9223372578023997452

> <activity>
1

> <MY_Bayesian>
36.5943115204239

> <MY_Bayesian#Enrichment>
2.06787329777329

> <MY_Bayesian#EstPGood>
0.999999997391459

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
8.5972850678733e-002

$$$$
ligand_85
  SciTegic09172218193D

 69 73  0  0  1  0            999 V2000
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M  CHG  1  39  -1
M  END
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ligand_85

> <OBJECTID>
9223373282398633996

> <activity>
1

> <MY_Bayesian>
36.4546364878496

> <MY_Bayesian#Enrichment>
2.0678732972888

> <MY_Bayesian#EstPGood>
0.999999997157166

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
9.04977375565611e-002

$$$$
ligand_65
  SciTegic09172218193D

 73 77  0  0  1  0            999 V2000
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M  CHG  1  39  -1
M  END
> <Name>
ligand_65

> <OBJECTID>
9223372341800796172

> <activity>
1

> <MY_Bayesian>
36.4129206939422

> <MY_Bayesian#Enrichment>
2.0678732971361

> <MY_Bayesian#EstPGood>
0.999999997083322

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
9.50226244343891e-002

$$$$
ligand_8
  SciTegic09172218193D

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M  END
> <Name>
ligand_8

> <OBJECTID>
9223373518621835276

> <activity>
1

> <MY_Bayesian>
36.2236525485783

> <MY_Bayesian#Enrichment>
2.06787329639232

> <MY_Bayesian#EstPGood>
0.999999996723637

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
9.95475113122172e-002

$$$$
ligand_36
  SciTegic09172218193D

 63 67  0  0  1  0            999 V2000
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M  CHG  1  28  -1
M  END
> <Name>
ligand_36

> <OBJECTID>
9223372861491838988

> <activity>
1

> <MY_Bayesian>
36.1577500623056

> <MY_Bayesian#Enrichment>
2.06787329611283

> <MY_Bayesian#EstPGood>
0.999999996588482

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.104072398190045

$$$$
ligand_24
  SciTegic09172218193D

 68 72  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_24

> <OBJECTID>
9223373883694055436

> <activity>
1

> <MY_Bayesian>
36.1017356369784

> <MY_Bayesian#Enrichment>
2.06787329586627

> <MY_Bayesian#EstPGood>
0.999999996469248

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.108597285067873

$$$$
ligand_49
  SciTegic09172218193D

 65 69  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_49

> <OBJECTID>
9223373050470400012

> <activity>
1

> <MY_Bayesian>
35.898472510582

> <MY_Bayesian#Enrichment>
2.06787329489872

> <MY_Bayesian#EstPGood>
0.999999996001349

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.113122171945701

$$$$
ligand_48
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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M  CHG  1  36  -1
M  END
> <Name>
ligand_48

> <OBJECTID>
9223373900873924620

> <activity>
1

> <MY_Bayesian>
35.8539026973683

> <MY_Bayesian#Enrichment>
2.0678732946702

> <MY_Bayesian#EstPGood>
0.99999999589084

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.117647058823529

$$$$
ligand_108
  SciTegic09172218193D

 64 68  0  0  1  0            999 V2000
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M  CHG  1  36  -1
M  END
> <Name>
ligand_108

> <OBJECTID>
9223373857924251660

> <activity>
1

> <MY_Bayesian>
35.7178925231204

> <MY_Bayesian#Enrichment>
2.06787329393393

> <MY_Bayesian#EstPGood>
0.99999999553479

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.122171945701357

$$$$
ligand_128
  SciTegic09172218193D

 63 67  0  0  1  0            999 V2000
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M  CHG  1  37  -1
M  END
> <Name>
ligand_128

> <OBJECTID>
9223372921621381132

> <activity>
1

> <MY_Bayesian>
35.1836656399967

> <MY_Bayesian#Enrichment>
2.06787329038445

> <MY_Bayesian#EstPGood>
0.999999993818299

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.126696832579186

$$$$
ligand_100
  SciTegic09172218193D

 65 69  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_100

> <OBJECTID>
9223373647470854156

> <activity>
1

> <MY_Bayesian>
34.9772498940678

> <MY_Bayesian#Enrichment>
2.0678732886793

> <MY_Bayesian#EstPGood>
0.999999992993708

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.131221719457014

$$$$
ligand_29
  SciTegic09172218193D

 64 68  0  0  1  0            999 V2000
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M  CHG  2   9   1  38  -1
M  END
> <Name>
ligand_29

> <OBJECTID>
9223373741960134668

> <activity>
1

> <MY_Bayesian>
34.5626437694399

> <MY_Bayesian#Enrichment>
2.06787328455184

> <MY_Bayesian#EstPGood>
0.999999990997719

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.135746606334842

$$$$
ligand_44
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
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ligand_44

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34.4756039614723

> <MY_Bayesian#Enrichment>
2.0678732835486

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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.14027149321267

$$$$
ligand_148
  SciTegic09172218193D

 59 63  0  0  1  0            999 V2000
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M  CHG  1  36  -1
M  END
> <Name>
ligand_148

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
34.3738465095164

> <MY_Bayesian#Enrichment>
2.06787328230832

> <MY_Bayesian#EstPGood>
0.999999989912778

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.144796380090498

$$$$
ligand_77
  SciTegic09172218193D

 59 63  0  0  1  0            999 V2000
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M  CHG  1  40  -1
M  END
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ligand_77

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> <activity>
1

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34.2261813885521

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999988975592

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true

> <PredictedActive>
true

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true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.149321266968326

$$$$
ligand_89
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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M  CHG  1  37  -1
M  END
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ligand_89

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true

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false

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0

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0.153846153846154

$$$$
ligand_169
  SciTegic09172218193D

 69 73  0  0  1  0            999 V2000
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M  END
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ligand_169

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> <activity>
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> <MY_Bayesian#EstPGood>
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true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.158371040723982

$$$$
ligand_38
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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M  END
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ligand_38

> <OBJECTID>
9223372693988114444

> <activity>
1

> <MY_Bayesian>
33.8842621185376

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.16289592760181

$$$$
ligand_28
  SciTegic09172218193D

 64 68  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_28

> <OBJECTID>
9223372831427067916

> <activity>
1

> <MY_Bayesian>
33.7509894801212

> <MY_Bayesian#Enrichment>
2.06787327285331

> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.167420814479638

$$$$
ligand_39
  SciTegic09172218193D

 63 67  0  0  1  0            999 V2000
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M  CHG  1  36  -1
M  END
> <Name>
ligand_39

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
33.6946045801937

> <MY_Bayesian#Enrichment>
2.06787327181379

> <MY_Bayesian#EstPGood>
0.999999984837739

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.171945701357466

$$$$
ligand_97
  SciTegic09172218193D

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M  END
> <Name>
ligand_97

> <OBJECTID>
9223373217974124556

> <activity>
1

> <MY_Bayesian>
33.6325459470377

> <MY_Bayesian#Enrichment>
2.06787327062894

> <MY_Bayesian#EstPGood>
0.99999998426476

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.176470588235294

$$$$
ligand_50
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
    1.2493    3.4981    1.0643 C   0  0
    0.8807    4.3059   -0.0569 C   0  0
    1.8872    4.1835   -0.9971 N   0  0
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    3.3120    1.9669    1.5913 C   0  0
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M  CHG  3   7  -1  34   1  39  -1
M  END
> <Name>
ligand_50

> <OBJECTID>
9223372225836679180

> <activity>
1

> <MY_Bayesian>
33.3182959384763

> <MY_Bayesian#Enrichment>
2.0678732639206

> <MY_Bayesian#EstPGood>
0.999999981020684

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.180995475113122

$$$$
ligand_262
  SciTegic09172218193D

 62 66  0  0  1  0            999 V2000
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M  CHG  2   1  -1  36  -1
M  END
> <Name>
ligand_262

> <OBJECTID>
9223373144959680524

> <activity>
1

> <MY_Bayesian>
33.2258081805512

> <MY_Bayesian#Enrichment>
2.06787326169945

> <MY_Bayesian#EstPGood>
0.999999979946562

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.18552036199095

$$$$
ligand_30
  SciTegic09172218193D

 64 68  0  0  1  0            999 V2000
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ligand_30

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true

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false

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0.190045248868778

$$$$
ligand_60
  SciTegic09172218193D

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ligand_60

> <OBJECTID>
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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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true

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true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.194570135746606

$$$$
ligand_109
  SciTegic09172218193D

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M  END
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ligand_109

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> <activity>
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33.1448756818236

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> <MY_Bayesian#EstPGood>
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true

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true

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true

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false

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0.199095022624434

$$$$
ligand_192
  SciTegic09172218193D

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M  CHG  2  24   1  36  -1
M  END
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ligand_192

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> <activity>
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true

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true

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true

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0.203619909502262

$$$$
ligand_92
  SciTegic09172218193D

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> <Name>
ligand_92

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> <activity>
1

> <MY_Bayesian>
32.9612565931747

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999976533602

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.208144796380091

$$$$
ligand_47
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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M  CHG  1  12  -1
M  END
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ligand_47

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
32.9170909575637

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999975910753

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.212669683257919

$$$$
ligand_132
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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ligand_132

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1

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32.8410583819704

> <MY_Bayesian#Enrichment>
2.06787325105758

> <MY_Bayesian#EstPGood>
0.999999974800274

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true

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true

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true

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false

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0

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0.217194570135747

$$$$
ligand_69
  SciTegic09172218193D

 59 63  0  0  1  0            999 V2000
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M  CHG  1   7  -1
M  END
> <Name>
ligand_69

> <OBJECTID>
9223373643175886860

> <activity>
1

> <MY_Bayesian>
32.726584750741

> <MY_Bayesian#Enrichment>
2.06787324740271

> <MY_Bayesian#EstPGood>
0.999999973032823

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.221719457013575

$$$$
ligand_51
  SciTegic09172218193D

 63 67  0  0  1  0            999 V2000
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   10.8615    6.2691   -0.1712 O   0  0
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M  CHG  3  30  -1  35   1  36  -1
M  END
> <Name>
ligand_51

> <OBJECTID>
9223373394067783692

> <activity>
1

> <MY_Bayesian>
32.6598609363663

> <MY_Bayesian#Enrichment>
2.06787324515764

> <MY_Bayesian#EstPGood>
0.999999971947131

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.226244343891403

$$$$
ligand_32
  SciTegic09172218193D

 71 75  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_32

> <OBJECTID>
9223373729075232780

> <activity>
1

> <MY_Bayesian>
32.2539186757191

> <MY_Bayesian#Enrichment>
2.06787322945578

> <MY_Bayesian#EstPGood>
0.999999964353888

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.230769230769231

$$$$
ligand_70
  SciTegic09172218193D

 62 66  0  0  1  0            999 V2000
    8.7057    8.2834   -0.6525 C   0  0
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   10.9041    6.2580   -0.1687 O   0  0
   11.3771    5.1698    0.5572 N   0  0
   10.4335    4.2565    0.4919 C   0  0
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    8.0623    3.9114   -0.5839 C   0  0
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M  CHG  1  30  -1
M  END
> <Name>
ligand_70

> <OBJECTID>
9223373213679157260

> <activity>
1

> <MY_Bayesian>
32.2502066204542

> <MY_Bayesian#Enrichment>
2.06787322929455

> <MY_Bayesian#EstPGood>
0.999999964275918

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.235294117647059

$$$$
ligand_67
  SciTegic09172218193D

 59 63  0  0  1  0            999 V2000
   -1.1724   -6.9119    0.8000 C   0  0
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M  CHG  1  37  -1
M  END
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ligand_67

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true

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true

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true

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false

> <%FP>
0

> <%TP>
0.239819004524887

$$$$
ligand_68
  SciTegic09172218193D

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M  END
> <Name>
ligand_68

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
31.8363611101645

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999954443117

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.244343891402715

$$$$
ligand_180
  SciTegic09172218193D

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M  END
> <Name>
ligand_180

> <OBJECTID>
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> <activity>
1

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31.4202626203371

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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true

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true

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true

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false

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0.248868778280543

$$$$
ligand_199
  SciTegic09172218193D

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M  END
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0.253393665158371

$$$$
ligand_33
  SciTegic09172218193D

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ligand_33

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> <MY_Bayesian#Enrichment>
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true

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true

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false

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0

> <%TP>
0.257918552036199

$$$$
ligand_110
  SciTegic09172218193D

 58 62  0  0  1  0            999 V2000
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ligand_110

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true

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true

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true

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false

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0

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0.262443438914027

$$$$
ligand_173
  SciTegic09172218193D

 63 67  0  0  1  0            999 V2000
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ligand_173

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$$$$
ligand_144
  SciTegic09172218193D

 64 68  0  0  1  0            999 V2000
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M  END
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ligand_144

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> <activity>
1

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30.9051878625725

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999921577906

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true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.271493212669683

$$$$
ligand_115
  SciTegic09172218193D

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M  CHG  1   7  -1
M  END
> <Name>
ligand_115

> <OBJECTID>
9223373961003466764

> <activity>
1

> <MY_Bayesian>
30.5887789701125

> <MY_Bayesian#Enrichment>
2.06787310837277

> <MY_Bayesian#EstPGood>
0.999999905799523

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.276018099547511

$$$$
ligand_26
  SciTegic09172218193D

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M  END
> <Name>
ligand_26

> <OBJECTID>
9223373591636279308

> <activity>
1

> <MY_Bayesian>
30.5766886693531

> <MY_Bayesian#Enrichment>
2.06787310700588

> <MY_Bayesian#EstPGood>
0.999999905138512

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.280542986425339

$$$$
ligand_164
  SciTegic09172218193D

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M  END
> <Name>
ligand_164

> <OBJECTID>
9223373256628830220

> <activity>
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> <MY_Bayesian>
30.5311508621682

> <MY_Bayesian#Enrichment>
2.06787310177275

> <MY_Bayesian#EstPGood>
0.999999902607828

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.285067873303167

$$$$
ligand_93
  SciTegic09172218193D

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> <Name>
ligand_93

> <OBJECTID>
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> <activity>
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> <MY_Bayesian>
30.4700833856118

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999899109816

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.289592760180996

$$$$
ligand_165
  SciTegic09172218193D

 76 80  0  0  1  0            999 V2000
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ligand_165

> <OBJECTID>
9223373720485298188

> <activity>
1

> <MY_Bayesian>
30.3775548620191

> <MY_Bayesian#Enrichment>
2.06787308309111

> <MY_Bayesian#EstPGood>
0.999999893573602

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.294117647058824

$$$$
ligand_119
  SciTegic09172218193D

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M  END
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ligand_119

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
30.3508095214413

> <MY_Bayesian#Enrichment>
2.06787307966865

> <MY_Bayesian#EstPGood>
0.999999891918538

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.298642533936652

$$$$
ligand_249
  SciTegic09172218193D

 65 69  0  0  1  0            999 V2000
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ligand_249

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> <activity>
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30.2640752538814

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999886375677

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true

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true

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true

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false

> <%FP>
0

> <%TP>
0.30316742081448

$$$$
ligand_136
  SciTegic09172218193D

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> <Name>
ligand_136

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
30.2561023683489

> <MY_Bayesian#Enrichment>
2.06787306712454

> <MY_Bayesian#EstPGood>
0.999999885852347

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.307692307692308

$$$$
ligand_63
  SciTegic09172218193D

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> <Name>
ligand_63

> <OBJECTID>
9223373037585498124

> <activity>
1

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30.1429722343369

> <MY_Bayesian#Enrichment>
2.06787305123269

> <MY_Bayesian#EstPGood>
0.999999878167233

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

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true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.312217194570136

$$$$
ligand_223
  SciTegic09172218193D

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M  CHG  1   9   1
M  END
> <Name>
ligand_223

> <OBJECTID>
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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999875255029

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.316742081447964

$$$$
ligand_64
  SciTegic09172218193D

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M  END
> <Name>
ligand_64

> <OBJECTID>
9223372955981119500

> <activity>
1

> <MY_Bayesian>
29.6728562354958

> <MY_Bayesian#Enrichment>
2.06787297317501

> <MY_Bayesian#EstPGood>
0.999999840419425

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.321266968325792

$$$$
ligand_43
  SciTegic09172218193D

 77 82  0  0  1  0            999 V2000
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M  CHG  1   7   1
M  END
> <Name>
ligand_43

> <OBJECTID>
9223372165707137036

> <activity>
1

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29.4848557491673

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

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true

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true

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false

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0

> <%TP>
0.32579185520362

$$$$
ligand_27
  SciTegic09172218193D

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M  END
> <Name>
ligand_27

> <OBJECTID>
9223373243743928332

> <activity>
1

> <MY_Bayesian>
29.4841339442605

> <MY_Bayesian#Enrichment>
2.06787293555557

> <MY_Bayesian#EstPGood>
0.999999822227091

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.330316742081448

$$$$
ligand_219
  SciTegic09172218193D

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M  END
> <Name>
ligand_219

> <OBJECTID>
9223373196499288076

> <activity>
1

> <MY_Bayesian>
29.3321516883569

> <MY_Bayesian#Enrichment>
2.06787290222974

> <MY_Bayesian#EstPGood>
0.9999998061111

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.334841628959276

$$$$
ligand_182
  SciTegic09172218193D

 69 73  0  0  1  0            999 V2000
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M  CHG  1  21   1
M  END
> <Name>
ligand_182

> <OBJECTID>
9223372337505828876

> <activity>
1

> <MY_Bayesian>
29.2428094337129

> <MY_Bayesian#Enrichment>
2.06787288127474

> <MY_Bayesian#EstPGood>
0.999999795977501

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.339366515837104

$$$$
ligand_52
  SciTegic09172218193D

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M  END
> <Name>
ligand_52

> <OBJECTID>
9223372298851123212

> <activity>
1

> <MY_Bayesian>
29.2272934894456

> <MY_Bayesian#Enrichment>
2.06787287752766

> <MY_Bayesian#EstPGood>
0.999999794165453

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.343891402714932

$$$$
ligand_264
  SciTegic09172218193D

 62 66  0  0  1  0            999 V2000
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false

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$$$$
ligand_151
  SciTegic09172218193D

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ligand_151

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> <activity>
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> <MY_Bayesian#EstPGood>
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true

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true

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true

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false

> <%FP>
0

> <%TP>
0.352941176470588

$$$$
ligand_23
  SciTegic09172218193D

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ligand_23

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true

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false

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$$$$
ligand_41
  SciTegic09172218193D

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ligand_41

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$$$$
ligand_203
  SciTegic09172218193D

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ligand_203

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false

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0.366515837104072

$$$$
ligand_66
  SciTegic09172218193D

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ligand_66

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true

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false

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0.3710407239819

$$$$
ligand_161
  SciTegic09172218193D

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true

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true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.375565610859729

$$$$
ligand_158
  SciTegic09172218193D

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ligand_158

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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.380090497737557

$$$$
ligand_225
  SciTegic09172218193D

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M  END
> <Name>
ligand_225

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
28.335029427108

> <MY_Bayesian#Enrichment>
2.06787259721533

> <MY_Bayesian#EstPGood>
0.999999658609604

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.384615384615385

$$$$
ligand_71
  SciTegic09172218193D

 71 75  0  0  1  0            999 V2000
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M  END
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ligand_71

> <OBJECTID>
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> <activity>
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> <MY_Bayesian#Enrichment>
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true

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true

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true

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false

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0

> <%TP>
0.389140271493213

$$$$
ligand_82
  SciTegic09172218193D

 74 78  0  0  1  0            999 V2000
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ligand_82

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999999544396758

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true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.393665158371041

$$$$
ligand_58
  SciTegic09172218193D

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ligand_58

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> <activity>
1

> <MY_Bayesian>
27.5895909471277

> <MY_Bayesian#Enrichment>
2.06787222995092

> <MY_Bayesian#EstPGood>
0.999999481004714

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.398190045248869

$$$$
ligand_55
  SciTegic09172218193D

 64 67  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_55

> <OBJECTID>
9223373067650269196

> <activity>
1

> <MY_Bayesian>
27.537996117495

> <MY_Bayesian#Enrichment>
2.06787219852389

> <MY_Bayesian#EstPGood>
0.999999465806956

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.402714932126697

$$$$
ligand_229
  SciTegic09172218193D

 68 72  0  0  1  0            999 V2000
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ligand_229

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0.407239819004525

$$$$
ligand_56
  SciTegic09172218193D

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ligand_56

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false

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0

> <%TP>
0.411764705882353

$$$$
ligand_111
  SciTegic09172218193D

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ligand_111

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true

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true

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true

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false

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0.416289592760181

$$$$
ligand_183
  SciTegic09172218193D

 71 74  0  0  1  0            999 V2000
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ligand_183

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true

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true

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false

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0

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0.420814479638009

$$$$
ligand_53
  SciTegic09172218193D

 65 69  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_53

> <OBJECTID>
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> <activity>
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27.1628962450581

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.425339366515837

$$$$
ligand_251
  SciTegic09172218193D

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> <Name>
ligand_251

> <OBJECTID>
9223373471377195020

> <activity>
1

> <MY_Bayesian>
27.1497526384298

> <MY_Bayesian#Enrichment>
2.06787193129872

> <MY_Bayesian#EstPGood>
0.999999336579905

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.429864253393665

$$$$
ligand_142
  SciTegic09172218193D

 68 71  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_142

> <OBJECTID>
9223372745527721996

> <activity>
1

> <MY_Bayesian>
27.0741931142707

> <MY_Bayesian#Enrichment>
2.06787187237517

> <MY_Bayesian#EstPGood>
0.999999308085146

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.434389140271493

$$$$
ligand_35
  SciTegic09172218193D

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0

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0.438914027149321

$$$$
ligand_234
  SciTegic09172218193D

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ligand_234

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true

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true

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true

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false

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0

> <%TP>
0.443438914027149

$$$$
ligand_256
  SciTegic09172218193D

 59 63  0  0  1  0            999 V2000
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ligand_256

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0.999999114963389

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true

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true

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true

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false

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0

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0.447963800904977

$$$$
ligand_240
  SciTegic09172218193D

 61 65  0  0  1  0            999 V2000
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ligand_240

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2.06787139544934

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0.999999077449241

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true

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true

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false

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0

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0.452488687782805

$$$$
ligand_254
  SciTegic09172218193D

 63 67  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_254

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> <activity>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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true

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true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.457013574660633

$$$$
ligand_121
  SciTegic09172218193D

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M  CHG  1  26  -1
M  END
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ligand_121

> <OBJECTID>
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> <activity>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.461538461538462

$$$$
ligand_245
  SciTegic09172218193D

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M  END
> <Name>
ligand_245

> <OBJECTID>
9223373887989022732

> <activity>
1

> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

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0

> <%TP>
0.46606334841629

$$$$
ligand_96
  SciTegic09172218193D

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M  END
> <Name>
ligand_96

> <OBJECTID>
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> <activity>
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> <MY_Bayesian>
25.5453965370439

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999998392142039

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.470588235294118

$$$$
ligand_200
  SciTegic09172218193D

 72 74  0  0  1  0            999 V2000
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M  CHG  1  25  -1
M  END
> <Name>
ligand_200

> <OBJECTID>
9223372247311515660

> <activity>
1

> <MY_Bayesian>
25.5120737381259

> <MY_Bayesian#Enrichment>
2.06786991720169

> <MY_Bayesian#EstPGood>
0.999998362585499

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.475113122171946

$$$$
ligand_74
  SciTegic09172218193D

 63 66  0  0  1  0            999 V2000
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M  CHG  1  18  -1
M  END
> <Name>
ligand_74

> <OBJECTID>
9223372612383735820

> <activity>
1

> <MY_Bayesian>
25.455201151834

> <MY_Bayesian#Enrichment>
2.06786981033835

> <MY_Bayesian#EstPGood>
0.999998310907604

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.479638009049774

$$$$
ligand_61
  SciTegic09172218193D

 59 63  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_61

> <OBJECTID>
9223372333210861580

> <activity>
1

> <MY_Bayesian>
25.2861761310482

> <MY_Bayesian#Enrichment>
2.06786947287715

> <MY_Bayesian#EstPGood>
0.999998147715208

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.484162895927602

$$$$
ligand_253
  SciTegic09172218193D

 52 56  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_253

> <OBJECTID>
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> <activity>
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25.2391032228798

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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true

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true

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false

> <%FP>
0

> <%TP>
0.48868778280543

$$$$
ligand_94
  SciTegic09172218193D

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> <Name>
ligand_94

> <OBJECTID>
9223372900146544652

> <activity>
1

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25.2338565508373

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.99999809414302

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.493212669683258

$$$$
ligand_269
  SciTegic09172218193D

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ligand_269

> <OBJECTID>
9223372221541711884

> <activity>
1

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> <MY_Bayesian#Enrichment>
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true

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true

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true

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false

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0

> <%TP>
0.497737556561086

$$$$
ligand_156
  SciTegic09172218193D

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M  CHG  1  26  -1
M  END
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ligand_156

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
25.2051079339902

> <MY_Bayesian#Enrichment>
2.06786929989605

> <MY_Bayesian#EstPGood>
0.999998064063517

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.502262443438914

$$$$
ligand_134
  SciTegic09172218193D

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M  CHG  1  26  -1
M  END
> <Name>
ligand_134

> <OBJECTID>
9223373814974578700

> <activity>
1

> <MY_Bayesian>
24.9532679834448

> <MY_Bayesian#Enrichment>
2.06786871230522

> <MY_Bayesian#EstPGood>
0.999997779911278

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.506787330316742

$$$$
ligand_116
  SciTegic09172218193D

 63 66  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_116

> <OBJECTID>
9223372968866021388

> <activity>
1

> <MY_Bayesian>
24.9182142584914

> <MY_Bayesian#Enrichment>
2.06786862409787

> <MY_Bayesian#EstPGood>
0.999997737255204

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.51131221719457

$$$$
ligand_236
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_236

> <OBJECTID>
9223372981750923276

> <activity>
1

> <MY_Bayesian>
24.7974835309299

> <MY_Bayesian#Enrichment>
2.06786830741728

> <MY_Bayesian#EstPGood>
0.999997584112077

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.515837104072398

$$$$
ligand_120
  SciTegic09172218193D

 66 68  0  0  1  0            999 V2000
   31.9849  -10.2942    4.8199 C   0  0
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M  CHG  1  26  -1
M  END
> <Name>
ligand_120

> <OBJECTID>
9223373149254647820

> <activity>
1

> <MY_Bayesian>
24.7070523818112

> <MY_Bayesian#Enrichment>
2.06786805656607

> <MY_Bayesian#EstPGood>
0.999997462803287

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.520361990950226

$$$$
ligand_266
  SciTegic09172218193D

 56 60  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_266

> <OBJECTID>
9223372719757918220

> <activity>
1

> <MY_Bayesian>
24.2452213213033

> <MY_Bayesian#Enrichment>
2.06786657039708

> <MY_Bayesian#EstPGood>
0.999996744108872

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.524886877828054

$$$$
ligand_265
  SciTegic09172218193D

 72 76  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_265

> <OBJECTID>
9223373278103666700

> <activity>
1

> <MY_Bayesian>
24.1747842436298

> <MY_Bayesian#Enrichment>
2.06786631018063

> <MY_Bayesian#EstPGood>
0.999996618271156

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.529411764705882

$$$$
ligand_152
  SciTegic09172218193D

 65 66  0  0  1  0            999 V2000
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   22.9103  -28.4532    1.8143 C   0  0
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M  CHG  1  25  -1
M  END
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

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0.53393665158371

$$$$
ligand_106
  SciTegic09172218193D

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M  CHG  1  18  -1
M  END
> <Name>
ligand_106

> <OBJECTID>
9223372668218310668

> <activity>
1

> <MY_Bayesian>
23.6668422204889

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999995558798661

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.538461538461538

$$$$
ligand_72
  SciTegic09172218193D

 56 61  0  0  1  0            999 V2000
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M  CHG  1  18  -1
M  END
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ligand_72

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> <activity>
1

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23.3908707789358

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999994853487033

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.542986425339366

$$$$
ligand_193
  SciTegic09172218193D

 72 75  0  0  1  0            999 V2000
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M  END
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ligand_193

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> <activity>
1

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23.309382479567

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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true

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true

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true

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false

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0

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0.547511312217195

$$$$
ligand_141
  SciTegic09172218193D

 65 67  0  0  1  0            999 V2000
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true

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true

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0

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0.552036199095023

$$$$
ligand_130
  SciTegic09172218193D

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ligand_130

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0.556561085972851

$$$$
ligand_137
  SciTegic09172218193D

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ligand_137

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false

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0.561085972850679

$$$$
ligand_267
  SciTegic09172218193D

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ligand_267

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false

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0

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0.565610859728507

$$$$
ligand_123
  SciTegic09172218193D

 66 70  0  0  1  0            999 V2000
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M  CHG  1   9   1
M  END
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ligand_123

> <OBJECTID>
9223372264491384844

> <activity>
1

> <MY_Bayesian>
23.0139210955468

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999993710552268

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.570135746606335

$$$$
ligand_62
  SciTegic09172218193D

 57 60  0  0  1  0            999 V2000
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M  CHG  1  36  -1
M  END
> <Name>
ligand_62

> <OBJECTID>
9223372762707591180

> <activity>
1

> <MY_Bayesian>
22.7108763917801

> <MY_Bayesian#Enrichment>
2.0678580317898

> <MY_Bayesian#EstPGood>
0.999992614935547

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.574660633484163

$$$$
ligand_131
  SciTegic09172218193D

 59 60  0  0  1  0            999 V2000
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M  CHG  1  25  -1
M  END
> <Name>
ligand_131

> <OBJECTID>
9223372487829684236

> <activity>
1

> <MY_Bayesian>
22.5583346730188

> <MY_Bayesian#Enrichment>
2.06785674970099

> <MY_Bayesian#EstPGood>
0.999991994931988

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.579185520361991

$$$$
ligand_252
  SciTegic09172218193D

 61 63  0  0  1  0            999 V2000
   20.8802   -2.2753    1.1398 C   0  0
   14.4858   -7.0437    1.2340 C   0  0
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M  END
> <Name>
ligand_252

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999991910778866

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.583710407239819

$$$$
ligand_184
  SciTegic09172218193D

 62 63  0  0  1  0            999 V2000
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M  CHG  1  25  -1
M  END
> <Name>
ligand_184

> <OBJECTID>
9223373140664713228

> <activity>
1

> <MY_Bayesian>
21.8689851927486

> <MY_Bayesian#Enrichment>
2.06784951756336

> <MY_Bayesian#EstPGood>
0.999988497552523

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.588235294117647

$$$$
ligand_76
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
> <Name>
ligand_76

> <OBJECTID>
9223373046175432716

> <activity>
1

> <MY_Bayesian>
21.8359449854988

> <MY_Bayesian#Enrichment>
2.06784910252184

> <MY_Bayesian#EstPGood>
0.999988296843166

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.592760180995475

$$$$
ligand_209
  SciTegic09172218193D

 59 60  0  0  1  0            999 V2000
   37.2695   -9.5929    0.5572 C   0  0
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M  CHG  1  25  -1
M  END
> <Name>
ligand_209

> <OBJECTID>
9223373260923797516

> <activity>
1

> <MY_Bayesian>
21.8298420341494

> <MY_Bayesian#Enrichment>
2.06784902508784

> <MY_Bayesian#EstPGood>
0.999988259396965

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.597285067873303

$$$$
ligand_18
  SciTegic09172218193D

 82 86  0  0  1  0            999 V2000
    1.4699    1.0360    1.7380 C   0  0
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ligand_18

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> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.601809954751131

$$$$
ligand_83
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
> <Name>
ligand_83

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
21.3130698423362

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999984625565862

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.606334841628959

$$$$
ligand_114
  SciTegic09172218193D

 58 62  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
> <Name>
ligand_114

> <OBJECTID>
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> <activity>
1

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> <MY_Bayesian#Enrichment>
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0.999984568317693

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

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true

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false

> <%FP>
0

> <%TP>
0.610859728506787

$$$$
ligand_186
  SciTegic09172218193D

 54 58  0  0  1  0            999 V2000
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ligand_186

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true

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false

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0

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0.615384615384615

$$$$
ligand_250
  SciTegic09172218193D

 52 55  0  0  1  0            999 V2000
   -1.7802    3.5310   -0.7649 C   0  0
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true

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false

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0.619909502262443

$$$$
ligand_268
  SciTegic09172218193D

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ligand_268

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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.624434389140271

$$$$
ligand_259
  SciTegic09172218193D

 53 54  0  0  1  0            999 V2000
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M  END
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ligand_259

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$$$$
ligand_159
  SciTegic09172218193D

 67 69  0  0  1  0            999 V2000
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M  CHG  1  25  -1
M  END
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ligand_159

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20.742031609731

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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.633484162895928

$$$$
ligand_118
  SciTegic09172218193D

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M  END
> <Name>
ligand_118

> <OBJECTID>
9223373570161442828

> <activity>
1

> <MY_Bayesian>
20.6617365911051

> <MY_Bayesian#Enrichment>
2.06782874913502

> <MY_Bayesian#EstPGood>
0.999978454176894

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.638009049773756

$$$$
ligand_57
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
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ligand_57

> <OBJECTID>
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> <activity>
1

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20.4793680682431

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.99997633032545

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.642533936651584

$$$$
ligand_80
  SciTegic09172218193D

 61 65  0  0  1  0            999 V2000
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M  END
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ligand_80

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> <activity>
1

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20.4513533829181

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999975986456836

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

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true

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false

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0

> <%TP>
0.647058823529412

$$$$
ligand_244
  SciTegic09172218193D

 56 57  0  0  1  0            999 V2000
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M  CHG  1  25  -1
M  END
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ligand_244

> <OBJECTID>
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> <activity>
1

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.65158371040724

$$$$
ligand_174
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
> <Name>
ligand_174

> <OBJECTID>
9223373995363205132

> <activity>
1

> <MY_Bayesian>
20.050773887884

> <MY_Bayesian#Enrichment>
2.06781230548878

> <MY_Bayesian#EstPGood>
0.999970502216675

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.656108597285068

$$$$
ligand_237
  SciTegic09172218193D

 51 54  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_237

> <OBJECTID>
9223372187181973516

> <activity>
1

> <MY_Bayesian>
19.9381696902702

> <MY_Bayesian#Enrichment>
2.06780868626371

> <MY_Bayesian#EstPGood>
0.999968752000614

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.660633484162896

$$$$
ligand_213
  SciTegic09172218193D

 66 67  0  0  1  0            999 V2000
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M  CHG  1  26  -1
M  END
> <Name>
ligand_213

> <OBJECTID>
9223373595931246604

> <activity>
1

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19.913113535582

> <MY_Bayesian#Enrichment>
2.06780785287125

> <MY_Bayesian#EstPGood>
0.999968348981502

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.665158371040724

$$$$
ligand_233
  SciTegic09172218193D

 66 67  0  0  1  0            999 V2000
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M  CHG  1  26  -1
M  END
> <Name>
ligand_233

> <OBJECTID>
9223373424132554764

> <activity>
1

> <MY_Bayesian>
19.913113535582

> <MY_Bayesian#Enrichment>
2.06780785287125

> <MY_Bayesian#EstPGood>
0.999968348981502

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.669683257918552

$$$$
ligand_255
  SciTegic09172218193D

 66 70  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_255

> <OBJECTID>
9223373033290530828

> <activity>
1

> <MY_Bayesian>
19.7380242572968

> <MY_Bayesian#Enrichment>
2.06780172929707

> <MY_Bayesian#EstPGood>
0.999965387690707

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.67420814479638

$$$$
ligand_235
  SciTegic09172218193D

 63 67  0  0  1  0            999 V2000
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M  CHG  1  32  -1
M  END
> <Name>
ligand_235

> <OBJECTID>
9223373162139549708

> <activity>
1

> <MY_Bayesian>
19.686463113544

> <MY_Bayesian#Enrichment>
2.06779982183464

> <MY_Bayesian#EstPGood>
0.99996446526358

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.678733031674208

$$$$
ligand_107
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
> <Name>
ligand_107

> <OBJECTID>
9223373913758826508

> <activity>
1

> <MY_Bayesian>
19.5579322869929

> <MY_Bayesian#Enrichment>
2.06779484816208

> <MY_Bayesian#EstPGood>
0.999962060052124

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.683257918552036

$$$$
ligand_140
  SciTegic09172218193D

 57 59  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_140

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1

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19.408804004048

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999959069967369

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.687782805429864

$$$$
ligand_81
  SciTegic09172218193D

 61 64  0  0  1  0            999 V2000
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M  CHG  1  18  -1
M  END
> <Name>
ligand_81

> <OBJECTID>
9223373432722489356

> <activity>
1

> <MY_Bayesian>
19.378182545862

> <MY_Bayesian#Enrichment>
2.06778733783141

> <MY_Bayesian#EstPGood>
0.999958428141668

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.692307692307692

$$$$
ligand_246
  SciTegic09172218193D

 62 66  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_246

> <OBJECTID>
9223373870809153548

> <activity>
1

> <MY_Bayesian>
19.1987434393454

> <MY_Bayesian#Enrichment>
2.06777914255965

> <MY_Bayesian#EstPGood>
0.999954465001494

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.69683257918552

$$$$
ligand_207
  SciTegic09172218193D

 56 57  0  0  1  0            999 V2000
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M  CHG  1  25  -1
M  END
> <Name>
ligand_207

> <OBJECTID>
9223372419110207500

> <activity>
1

> <MY_Bayesian>
19.1320630835365

> <MY_Bayesian#Enrichment>
2.06777590692187

> <MY_Bayesian#EstPGood>
0.999952900283881

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.701357466063348

$$$$
ligand_143
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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M  END
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> <MY_Bayesian#Prediction>
true

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true

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true

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false

> <%FP>
0

> <%TP>
0.705882352941177

$$$$
ligand_185
  SciTegic09172218193D

 56 57  0  0  1  0            999 V2000
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ligand_185

> <OBJECTID>
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> <activity>
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> <MY_Bayesian#Enrichment>
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true

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true

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false

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0.710407239819005

$$$$
ligand_112
  SciTegic09172218193D

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ligand_112

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1

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false

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0.714932126696833

$$$$
ligand_222
  SciTegic09172218193D

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true

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true

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true

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false

> <%FP>
0

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0.719457013574661

$$$$
ligand_86
  SciTegic09172218193D

 60 64  0  0  1  0            999 V2000
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ligand_86

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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

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true

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false

> <%FP>
0

> <%TP>
0.723981900452489

$$$$
ligand_150
  SciTegic09172218193D

 54 55  0  0  1  0            999 V2000
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M  END
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ligand_150

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true

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true

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true

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false

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0

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0.728506787330317

$$$$
ligand_220
  SciTegic09172218193D

 53 57  0  0  1  0            999 V2000
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ligand_220

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0

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0.733031674208145

$$$$
ligand_45
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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M  CHG  1   1  -1
M  END
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ligand_45

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true

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true

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true

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false

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0

> <%TP>
0.737556561085973

$$$$
ligand_178
  SciTegic09172218193D

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> <Name>
ligand_178

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
18.1373237128422

> <MY_Bayesian#Enrichment>
2.06771261339298

> <MY_Bayesian#EstPGood>
0.999922292253496

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.742081447963801

$$$$
ligand_139
  SciTegic09172218193D

 67 71  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_139

> <OBJECTID>
9223373548686606348

> <activity>
1

> <MY_Bayesian>
17.798971013123

> <MY_Bayesian#Enrichment>
2.06768304959757

> <MY_Bayesian#EstPGood>
0.999907995538432

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.746606334841629

$$$$
ligand_230
  SciTegic09172218193D

 58 60  0  0  1  0            999 V2000
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M  CHG  1  29  -1
M  END
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ligand_230

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1

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17.7903338537237

> <MY_Bayesian#Enrichment>
2.06768222943866

> <MY_Bayesian#EstPGood>
0.999907598918916

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.751131221719457

$$$$
ligand_205
  SciTegic09172218193D

 49 52  0  0  1  0            999 V2000
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> <Name>
ligand_205

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> <activity>
1

> <MY_Bayesian>
17.6984835945271

> <MY_Bayesian#Enrichment>
2.06767329166948

> <MY_Bayesian#EstPGood>
0.999903276715436

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.755656108597285

$$$$
ligand_216
  SciTegic09172218193D

 53 55  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_216

> <OBJECTID>
9223373677535625228

> <activity>
1

> <MY_Bayesian>
17.4250518215667

> <MY_Bayesian#Enrichment>
2.06764420487954

> <MY_Bayesian#EstPGood>
0.999889210674786

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.760180995475113

$$$$
ligand_34
  SciTegic09172218193D

 66 69  0  0  1  0            999 V2000
   12.2692   -0.3286   -0.0046 C   0  0
   12.1925   -1.5276    0.9542 C   0  0  2  0  0  0
   13.1009   -2.6758    0.4794 C   0  0
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M  CHG  1  26  -1
M  END
> <Name>
ligand_34

> <OBJECTID>
9223373772024905740

> <activity>
1

> <MY_Bayesian>
16.9188863120175

> <MY_Bayesian#Enrichment>
2.06757910697994

> <MY_Bayesian#EstPGood>
0.999857730071262

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.764705882352941

$$$$
ligand_190
  SciTegic09172218193D

 65 66  0  0  1  0            999 V2000
   17.1061   -2.4750    2.5731 C   0  0
   18.2928   -2.6720    1.6034 C   0  0  2  0  0  0
   17.8510   -2.9883    0.2022 C   0  0
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   24.5821    1.9546    9.1265 C   0  0
   24.5143    3.2826    9.4000 C   0  0
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   22.1011    3.1458    9.6559 C   0  0
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   23.3835    1.0732    9.0969 C   0  0
   23.2384    5.2187    9.9490 O   0  0
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M  END
> <Name>
ligand_190

> <OBJECTID>
9223372243016548364

> <activity>
1

> <MY_Bayesian>
16.7725536176148

> <MY_Bayesian#Enrichment>
2.06755714346854

> <MY_Bayesian#EstPGood>
0.999847108767062

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.769230769230769

$$$$
ligand_211
  SciTegic09172218193D

 54 57  0  0  1  0            999 V2000
    5.0454   -1.4157    0.7704 C   0  0
    9.8949    4.7925    3.7754 N   0  0
    6.3592   -1.1196    1.2513 C   0  0
    8.7682    4.1021    3.6776 C   0  0
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0.773755656108597

$$$$
ligand_260
  SciTegic09172218193D

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M  END
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ligand_260

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.999822652333789

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

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true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.778280542986425

$$$$
ligand_155
  SciTegic09172218193D

 58 61  0  0  1  0            999 V2000
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true

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true

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true

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false

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0

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0.782805429864253

$$$$
ligand_105
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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$$$$
ligand_195
  SciTegic09172218193D

 55 58  0  0  1  0            999 V2000
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M  END
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ligand_195

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false

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0.791855203619909

$$$$
ligand_176
  SciTegic09172218193D

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M  END
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ligand_176

> <OBJECTID>
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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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true

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true

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true

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false

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0

> <%TP>
0.796380090497738

$$$$
ligand_224
  SciTegic09172218193D

 52 55  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_224

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> <activity>
1

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15.777546913917

> <MY_Bayesian#Enrichment>
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false

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0.800904977375566

$$$$
ligand_102
  SciTegic09172218193D

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M  END
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$$$$
ligand_160
  SciTegic09172218193D

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ligand_160

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true

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true

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true

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false

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0

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0.809954751131222

$$$$
ligand_258
  SciTegic09172218193D

 54 57  0  0  1  0            999 V2000
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ligand_258

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> <MY_Bayesian#EstPGood>
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true

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true

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true

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false

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0

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0.81447963800905

$$$$
ligand_127
  SciTegic09172218193D

 47 48  0  0  1  0            999 V2000
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ligand_127

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> <MY_Bayesian#EstPGood>
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true

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true

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true

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false

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0.819004524886878

$$$$
ligand_228
  SciTegic09172218193D

 44 45  0  0  1  0            999 V2000
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true

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false

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0.823529411764706

$$$$
ligand_248
  SciTegic09172218193D

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$$$$
ligand_227
  SciTegic09172218193D

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true

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true

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true

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false

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0

> <%TP>
0.832579185520362

$$$$
ligand_221
  SciTegic09172218193D

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ligand_221

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true

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true

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false

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0.83710407239819

$$$$
ligand_194
  SciTegic09172218193D

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ligand_194

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0.841628959276018

$$$$
ligand_13
  SciTegic09172218193D

 45 47  0  0  1  0            999 V2000
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ligand_13

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.997983001135758

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.846153846153846

$$$$
ligand_170
  SciTegic09172218193D

 47 47  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_170

> <OBJECTID>
9223373136369745932

> <activity>
1

> <MY_Bayesian>
11.2719603887637

> <MY_Bayesian#Enrichment>
2.06358837544463

> <MY_Bayesian#EstPGood>
0.997927857709548

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.850678733031674

$$$$
ligand_196
  SciTegic09172218193D

 40 42  0  0  1  0            999 V2000
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M  CHG  1   6   1
M  END
> <Name>
ligand_196

> <OBJECTID>
9223373810679611404

> <activity>
1

> <MY_Bayesian>
11.0838990378904

> <MY_Bayesian#Enrichment>
2.06320554152663

> <MY_Bayesian#EstPGood>
0.997742723582898

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.855203619909502

$$$$
ligand_197
  SciTegic09172218193D

 57 60  0  0  1  0            999 V2000
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> <Name>
ligand_197

> <OBJECTID>
9223373222269091852

> <activity>
1

> <MY_Bayesian>
10.7559278715183

> <MY_Bayesian#Enrichment>
2.06245745559706

> <MY_Bayesian#EstPGood>
0.997380957739496

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.85972850678733

$$$$
ligand_226
  SciTegic09172218193D

 39 40  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_226

> <OBJECTID>
9223372938801250316

> <activity>
1

> <MY_Bayesian>
10.7039006646771

> <MY_Bayesian#Enrichment>
2.0623286139529

> <MY_Bayesian#EstPGood>
0.997318651386414

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.864253393665158

$$$$
ligand_189
  SciTegic09172218193D

 51 54  0  0  1  0            999 V2000
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0.868778280542986

$$$$
ligand_167
  SciTegic09172218193D

 73 77  0  0  1  0            999 V2000
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M  CHG  1  11   1
M  END
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ligand_167

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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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true

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true

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true

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false

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0

> <%TP>
0.873303167420814

$$$$
ligand_231
  SciTegic09172218193D

 44 45  0  0  1  0            999 V2000
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ligand_231

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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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true

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true

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false

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0

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0.877828054298643

$$$$
ligand_154
  SciTegic09172218193D

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M  CHG  1  11   1
M  END
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ligand_154

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10.2137315988859

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.996656967334844

> <MY_Bayesian#Prediction>
true

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true

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false

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0

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0.882352941176471

$$$$
ligand_99
  SciTegic09172218193D

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> <MY_Bayesian#Enrichment>
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> <TruePositive>
true

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false

> <%FP>
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0.886877828054299

$$$$
ligand_6
  SciTegic09172218193D

 45 47  0  0  1  0            999 V2000
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ligand_6

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9.48219817225279

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.995369014285816

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.891402714932127

$$$$
ligand_4
  SciTegic09172218193D

 61 63  0  0  1  0            999 V2000
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ligand_4

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> <activity>
1

> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.895927601809955

$$$$
ligand_5
  SciTegic09172218193D

 61 63  0  0  1  0            999 V2000
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M  CHG  1   5   1
M  END
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ligand_5

> <OBJECTID>
9223372526484389900

> <activity>
1

> <MY_Bayesian>
8.54223348337075

> <MY_Bayesian#Enrichment>
2.05340464769889

> <MY_Bayesian#EstPGood>
0.99300312284782

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true

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true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.900452488687783

$$$$
ligand_215
  SciTegic09172218193D

 73 72  0  0  1  0            999 V2000
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M  END
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ligand_215

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$$$$
ligand_204
  SciTegic09172218193D

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M  CHG  1  30   1
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ligand_204

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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.909502262443439

$$$$
ligand_181
  SciTegic09172218193D

 41 42  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_181

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
6.21155906362875

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.981178887615533

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.914027149321267

$$$$
ligand_129
  SciTegic09172218193D

 53 56  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_129

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9223372406225305612

> <activity>
1

> <MY_Bayesian>
6.20049039655623

> <MY_Bayesian#Enrichment>
2.02877551778482

> <MY_Bayesian#EstPGood>
0.981092755865305

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.918552036199095

$$$$
ligand_232
  SciTegic09172218193D

 46 45  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_232

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> <activity>
1

> <MY_Bayesian>
5.95069194571348

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.923076923076923

$$$$
ligand_11
  SciTegic09172218193D

 58 62  0  0  1  0            999 V2000
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M  CHG  1   7   1
M  END
> <Name>
ligand_11

> <OBJECTID>
9223372801362296844

> <activity>
1

> <MY_Bayesian>
5.25085660172677

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.972185149710357

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.927601809954751

$$$$
ligand_171
  SciTegic09172218193D

 51 54  0  0  1  0            999 V2000
   -4.3332  -12.5435    1.6280 C   0  0
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   -6.6709  -13.1593    0.8914 C   0  0
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M  END
> <Name>
ligand_171

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9223372307441057804

> <activity>
1

> <MY_Bayesian>
5.18220054838878

> <MY_Bayesian#Enrichment>
2.00875571282359

> <MY_Bayesian#EstPGood>
0.971411405982525

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.932126696832579

$$$$
ligand_9
  SciTegic09172218193D

 39 40  0  0  1  0            999 V2000
    3.8288    4.2505   -4.1557 Cl  0  0
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  1 16  1  0
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M  CHG  1   6   1
M  END
> <Name>
ligand_9

> <OBJECTID>
9223372131347398668

> <activity>
1

> <MY_Bayesian>
4.93616532638094

> <MY_Bayesian#Enrichment>
2.00137859860531

> <MY_Bayesian#EstPGood>
0.967843917487469

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

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false

> <%FP>
0

> <%TP>
0.936651583710407

$$$$
ligand_201
  SciTegic09172218193D

 34 35  0  0  1  0            999 V2000
   -0.2107  -19.2722   -2.7607 C   0  0
    1.9285  -20.2826   -1.8766 N   0  3
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    7.0789  -22.0782    5.4463 O   0  5
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M  CHG  3   2   1  16  -1  24  -1
M  END
> <Name>
ligand_201

> <OBJECTID>
9223373896578957324

> <activity>
1

> <MY_Bayesian>
4.08846460239211

> <MY_Bayesian#Enrichment>
1.97462122796327

> <MY_Bayesian#EstPGood>
0.954904357505212

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.941176470588235

$$$$
ligand_270
  SciTegic09172218193D

 80 82  0  0  1  0            999 V2000
    8.1121   -0.4127   -2.3140 N   0  0
    6.9732    0.2880   -2.5541 C   0  0
    8.9350  -10.8861   -2.3135 N   0  3
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M  CHG  3   3   1  17  -1  33  -1
M  END
> <Name>
ligand_270

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> <activity>
1

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3.64593100103908

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.946396302294051

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.945701357466063

$$$$
ligand_95
  SciTegic09172218193D

 62 61  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_95

> <OBJECTID>
9223372157117202444

> <activity>
1

> <MY_Bayesian>
3.29964201533249

> <MY_Bayesian#Enrichment>
1.94122403855259

> <MY_Bayesian#EstPGood>
0.938753856717994

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.950226244343891

$$$$
ligand_7
  SciTegic09172218193D

 26 28  0  0  1  0            999 V2000
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  1 19  1  0
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M  END
> <Name>
ligand_7

> <OBJECTID>
9223373351118110732

> <activity>
1

> <MY_Bayesian>
2.60007939342298

> <MY_Bayesian#Enrichment>
1.90304593995224

> <MY_Bayesian#EstPGood>
0.92029136264649

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.95475113122172

$$$$
ligand_177
  SciTegic09172218193D

 44 45  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_177

> <OBJECTID>
9223372427700142092

> <activity>
1

> <MY_Bayesian>
2.59739697812032

> <MY_Bayesian#Enrichment>
1.90288195944847

> <MY_Bayesian#EstPGood>
0.920212063540724

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.959276018099548

$$$$
ligand_263
  SciTegic09172218193D

 66 67  0  0  1  0            999 V2000
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ligand_263

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true

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true

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true

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false

> <%FP>
0

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0.963800904977376

$$$$
ligand_163
  SciTegic09172218193D

 52 55  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_163

> <OBJECTID>
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> <activity>
1

> <MY_Bayesian>
1.8733798417806

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.896156542869762

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

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true

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false

> <%FP>
0

> <%TP>
0.968325791855204

$$$$
ligand_126
  SciTegic09172218193D

 48 51  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_126

> <OBJECTID>
9223373406952685580

> <activity>
1

> <MY_Bayesian>
1.44263150506395

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.879134132155581

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.972850678733032

$$$$
ligand_153
  SciTegic09172218193D

 46 49  0  0  1  0            999 V2000
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ligand_153

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9223372741232754700

> <activity>
1

> <MY_Bayesian>
0.666734544320966

> <MY_Bayesian#Enrichment>
1.74280590783011

> <MY_Bayesian#EstPGood>
0.842801106412372

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

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true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.97737556561086

$$$$
ligand_202
  SciTegic09172218193D

 26 26  0  0  1  0            999 V2000
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M  CHG  2  10   1  11  -1
M  END
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ligand_202

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0.793949808905513

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true

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true

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true

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false

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0

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0.981900452488688

$$$$
ligand_15
  SciTegic09172218193D

 46 49  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_15

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-0.418818866603673

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.986425339366516

$$$$
ligand_212
  SciTegic09172218193D

 56 57  0  0  1  0            999 V2000
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M  CHG  2  23   1  25  -1
M  END
> <Name>
ligand_212

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9223373737665167372

> <activity>
1

> <MY_Bayesian>
-2.08424542937831

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
0.652062873833937

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.990950226244344

$$$$
ligand_12
  SciTegic09172218193D

 46 48  0  0  1  0            999 V2000
    2.8527    2.6964    0.7883 S   0  0
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M  END
> <Name>
ligand_12

> <OBJECTID>
9223372492124651532

> <activity>
1

> <MY_Bayesian>
-4.8937547065378

> <MY_Bayesian#Enrichment>
0.831675950211528

> <MY_Bayesian#EstPGood>
0.402189026251089

> <MY_Bayesian#Prediction>
true

> <PredictedActive>
true

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0

> <%TP>
0.995475113122172

$$$$
ligand_534
  SciTegic09172218193D

 50 51  0  0  1  0            999 V2000
    4.7815   28.0346   52.2875 C   0  0
    4.6120   29.2652   51.7024 N   0  0
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M  END
> <Name>
ligand_534

> <OBJECTID>
9223373969593401356

> <activity>
0

> <MY_Bayesian>
-6.9276363551184

> <MY_Bayesian#Enrichment>
0.513684112850597

> <MY_Bayesian#EstPGood>
0.248411791991208

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
4.23728813559322e-003

> <%TP>
0.995475113122172

$$$$
ligand_157
  SciTegic09172218193D

 32 35  0  0  1  0            999 V2000
   12.6909    0.0396    1.2831 C   0  0
   11.3791    0.6641    1.3113 C   0  0
   13.0702   -1.1050    1.9578 C   0  0
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   13.8634    0.4755    0.5670 C   0  0
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 21 31  1  0
 22 32  1  0
M  END
> <Name>
ligand_157

> <OBJECTID>
9223373308168437772

> <activity>
1

> <MY_Bayesian>
-9.69981808176549

> <MY_Bayesian#Enrichment>
0.239195978408157

> <MY_Bayesian#EstPGood>
0.115672453453398

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
false

> <FalsePositive>
true

> <%FP>
4.23728813559322e-003

> <%TP>
1

$$$$
ligand_354
  SciTegic09172218193D

 42 43  0  0  1  0            999 V2000
    7.4799   25.5534   55.0537 C   0  0
    6.7063   25.5801   56.2084 C   0  0
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ligand_564
  SciTegic09172218193D

 28 29  0  0  1  0            999 V2000
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false

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> <%TP>
1

$$$$
ligand_545
  SciTegic09172218193D

 30 31  0  0  1  0            999 V2000
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> <Name>
ligand_545

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> <MY_Bayesian>
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false

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false

> <%FP>
1.69491525423729e-002

> <%TP>
1

$$$$
ligand_565
  SciTegic09172218193D

 14 13  0  0  1  0            999 V2000
    6.3084   26.2011   54.7970 C   0  0
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> <Name>
ligand_565

> <OBJECTID>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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false

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false

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true

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false

> <%FP>
2.11864406779661e-002

> <%TP>
1

$$$$
ligand_541
  SciTegic09172218193D

 25 26  0  0  1  0            999 V2000
    5.3842   30.9868   52.0024 S   0  0
    6.1400   29.3851   52.3064 C   0  0
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ligand_541

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false

> <%FP>
2.54237288135593e-002

> <%TP>
1

$$$$
ligand_569
  SciTegic09172218193D

 18 19  0  0  1  0            999 V2000
    5.5211   28.0831   53.9314 C   0  0
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> <Name>
ligand_569

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> <MY_Bayesian#Enrichment>
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false

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true

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false

> <%FP>
2.96610169491525e-002

> <%TP>
1

$$$$
ligand_570
  SciTegic09172218193D

 16 15  0  0  1  0            999 V2000
    6.2399   26.5059   54.3857 C   0  0
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 13 14  1  0
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M  CHG  6   3   1   4   1   5   1   6  -1   8  -1   9  -1
M  END
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ligand_570

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false

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false

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true

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false

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3.38983050847458e-002

> <%TP>
1

$$$$
ligand_536
  SciTegic09172218193D

 25 26  0  0  1  0            999 V2000
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> <Name>
ligand_536

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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
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3.8135593220339e-002

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1

$$$$
ligand_513
  SciTegic09172218193D

 33 34  0  0  1  0            999 V2000
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M  END
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ligand_513

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-16.4150269038177

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false

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1

$$$$
ligand_549
  SciTegic09172218193D

 36 36  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_549

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0

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-16.5573035397267

> <MY_Bayesian#Enrichment>
3.30553763811475e-002

> <MY_Bayesian#EstPGood>
1.59852038954783e-002

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
4.66101694915254e-002

> <%TP>
1

$$$$
ligand_439
  SciTegic09172218193D

 50 52  0  0  1  0            999 V2000
    6.8360   26.2035   53.3970 S   0  0
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    5.1971   28.0540   51.9886 C   0  0  2  0  0  0
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M  END
> <Name>
ligand_439

> <OBJECTID>
9223373802089676812

> <activity>
0

> <MY_Bayesian>
-18.3754373911215

> <MY_Bayesian#Enrichment>
2.01048669403252e-002

> <MY_Bayesian#EstPGood>
9.72248488799097e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
5.08474576271186e-002

> <%TP>
1

$$$$
ligand_372
  SciTegic09172218193D

 54 55  0  0  1  0            999 V2000
    6.0076   31.2454   52.5524 C   0  0
    5.6371   30.3602   53.5827 C   0  0
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> <Name>
ligand_372

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> <activity>
0

> <MY_Bayesian>
-18.4283694898963

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
9.58529296071055e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

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false

> <%FP>
5.50847457627119e-002

> <%TP>
1

$$$$
ligand_546
  SciTegic09172218193D

 14 14  0  0  1  0            999 V2000
    7.6353   25.3335   58.2846 N   0  0
    5.5166   24.2217   58.6477 C   0  0
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> <Name>
ligand_546

> <OBJECTID>
9223373449902358540

> <activity>
0

> <MY_Bayesian>
-18.902568654451

> <MY_Bayesian#Enrichment>
1.74638060122836e-002

> <MY_Bayesian#EstPGood>
8.4452978746492e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
5.93220338983051e-002

> <%TP>
1

$$$$
ligand_437
  SciTegic09172218193D

 23 24  0  0  1  0            999 V2000
    6.5303   26.3281   54.6223 C   0  0
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M  END
> <Name>
ligand_437

> <OBJECTID>
9223372122757464076

> <activity>
0

> <MY_Bayesian>
-18.9316641718107

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
8.38028311229753e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

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true

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false

> <%FP>
6.35593220338983e-002

> <%TP>
1

$$$$
ligand_375
  SciTegic09172218193D

 46 49  0  0  1  0            999 V2000
    5.6425   27.0240   52.1664 C   0  0
    4.6868   26.4716   53.2352 C   0  0
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ligand_375

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
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> <PredictedActive>
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true

> <FalsePositive>
false

> <%FP>
6.77966101694915e-002

> <%TP>
1

$$$$
ligand_559
  SciTegic09172218193D

 48 49  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_559

> <OBJECTID>
9223372071217856524

> <activity>
0

> <MY_Bayesian>
-20.1309332202786

> <MY_Bayesian#Enrichment>
1.24625672146453e-002

> <MY_Bayesian#EstPGood>
6.02675569898604e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
7.20338983050847e-002

> <%TP>
1

$$$$
ligand_567
  SciTegic09172218193D

 33 35  0  0  1  0            999 V2000
    6.2801   27.2476   52.4686 C   0  0
    5.3922   28.3388   51.7080 C   0  0
    7.1542   26.4086   51.5501 N   0  3
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    4.7424   29.3620   52.7054 C   0  0
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    5.4689   30.2641   49.9817 C   0  0  1  0  0  0
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M  CHG  4   3   1   4   1   8  -1   9  -1
M  END
> <Name>
ligand_567

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> <activity>
0

> <MY_Bayesian>
-20.9220690398063

> <MY_Bayesian#Enrichment>
1.02078145545185e-002

> <MY_Bayesian#EstPGood>
4.93638296837765e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
7.6271186440678e-002

> <%TP>
1

$$$$
ligand_555
  SciTegic09172218193D

 26 25  0  0  1  0            999 V2000
    5.8998   24.9583   56.6794 C   0  0
    5.9142   24.3371   57.8336 C   0  0
    5.8191   25.4983   55.4884 C   0  0
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M  CHG  1   5   1
M  END
> <Name>
ligand_555

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> <activity>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
4.49120324744953e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
8.05084745762712e-002

> <%TP>
1

$$$$
ligand_547
  SciTegic09172218193D

 28 28  0  0  1  0            999 V2000
    6.8795   25.8834   55.1290 C   0  0
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    6.4771   28.0807   51.4851 C   0  0
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 14 27  1  0
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M  END
> <Name>
ligand_547

> <OBJECTID>
9223373462787260428

> <activity>
0

> <MY_Bayesian>
-21.3711324797157

> <MY_Bayesian#Enrichment>
9.12645707581714e-003

> <MY_Bayesian#EstPGood>
4.41345079596409e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
8.47457627118644e-002

> <%TP>
1

$$$$
ligand_418
  SciTegic09172218193D

 24 25  0  0  1  0            999 V2000
    8.0478   25.7939   57.4101 N   0  0
    7.3619   25.9443   56.3034 C   0  0
    7.2121   25.1202   58.2528 C   0  0
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    7.4163   24.7190   59.5378 N   0  3
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    4.9503   24.1592   58.3305 C   0  0
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    3.9874   23.9598   57.8930 H   0  0
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    4.0990   25.3583   55.7299 H   0  0
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  1  2  2  0
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 10 16  1  0
 14 19  1  0
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 15 24  1  0
M  CHG  1   5   1
M  END
> <Name>
ligand_418

> <OBJECTID>
9223373342528176140

> <activity>
0

> <MY_Bayesian>
-21.5848560046496

> <MY_Bayesian#Enrichment>
8.65583591888806e-003

> <MY_Bayesian#EstPGood>
4.18586375946228e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
8.89830508474576e-002

> <%TP>
1

$$$$
ligand_500
  SciTegic09172218193D

 38 38  0  0  1  0            999 V2000
    6.0747   28.3472   52.5075 C   0  0
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    5.0314   27.3972   52.4664 C   0  0
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    3.8826   27.5334   51.4587 C   0  0
    3.8607   25.3613   53.4903 C   0  0
    6.1801   24.9343   55.1970 C   0  0
    7.5061   32.0263   49.8919 O   0  0
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ligand_500

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
3.89712495520104e-003

> <MY_Bayesian#Prediction>
false

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false

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true

> <FalsePositive>
false

> <%FP>
9.32203389830508e-002

> <%TP>
1

$$$$
ligand_359
  SciTegic09172218193D

 62 63  0  0  1  0            999 V2000
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> <Name>
ligand_359

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> <activity>
0

> <MY_Bayesian>
-23.065092273271

> <MY_Bayesian#Enrichment>
6.03811340191104e-003

> <MY_Bayesian#EstPGood>
2.91996293615392e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
9.74576271186441e-002

> <%TP>
1

$$$$
ligand_526
  SciTegic09172218193D

 39 40  0  0  1  0            999 V2000
    4.7264   30.1350   50.3205 S   0  0
    3.0959   29.6333   50.5503 N   0  0
    5.6200   29.3950   51.6969 C   0  0
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> <Name>
ligand_526

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9223373157844582412

> <activity>
0

> <MY_Bayesian>
-23.2112207566827

> <MY_Bayesian#Enrichment>
5.83095441654617e-003

> <MY_Bayesian#EstPGood>
2.81978320800154e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.101694915254237

> <%TP>
1

$$$$
ligand_528
  SciTegic09172218193D

 27 28  0  0  1  0            999 V2000
    5.8951   30.2866   52.6873 C   0  0
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    5.9332   28.9982   53.2546 N   0  0
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    8.1413   26.1583   52.8185 O   0  5
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M  CHG  1  14  -1
M  END
> <Name>
ligand_528

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9223373552981573644

> <activity>
0

> <MY_Bayesian>
-23.2380941955176

> <MY_Bayesian#Enrichment>
5.79371297697298e-003

> <MY_Bayesian#EstPGood>
2.80177367157774e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.105932203389831

> <%TP>
1

$$$$
ligand_533
  SciTegic09172218193D

 31 32  0  0  1  0            999 V2000
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> <Name>
ligand_533

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> <activity>
0

> <MY_Bayesian>
-23.2838955648028

> <MY_Bayesian#Enrichment>
5.73084139484576e-003

> <MY_Bayesian#EstPGood>
2.77136968984883e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.110169491525424

> <%TP>
1

$$$$
ligand_357
  SciTegic09172218193D

 23 24  0  0  1  0            999 V2000
    7.9060   25.8645   54.3611 N   0  0
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M  END
> <Name>
ligand_357

> <OBJECTID>
9223372960276086796

> <activity>
0

> <MY_Bayesian>
-23.5651273429101

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
2.59244713079673e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

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true

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false

> <%FP>
0.114406779661017

> <%TP>
1

$$$$
ligand_443
  SciTegic09172218193D

 29 30  0  0  1  0            999 V2000
    6.8524   27.2865   51.9474 C   0  0  1  0  0  0
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ligand_430
  SciTegic09172218193D

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false

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> <%TP>
1

$$$$
ligand_503
  SciTegic09172218193D

 61 65  0  0  1  0            999 V2000
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ligand_503

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$$$$
ligand_448
  SciTegic09172218193D

 30 31  0  0  1  0            999 V2000
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1

$$$$
ligand_566
  SciTegic09172218193D

 14 14  0  0  1  0            999 V2000
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1

$$$$
ligand_417
  SciTegic09172218193D

 44 46  0  0  1  0            999 V2000
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ligand_417

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false

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0.139830508474576

> <%TP>
1

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ligand_434
  SciTegic09172218193D

 39 39  0  0  1  0            999 V2000
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M  CHG  2   6   1   8   1
M  END
> <Name>
ligand_434

> <OBJECTID>
9223373020405628940

> <activity>
0

> <MY_Bayesian>
-24.4257007502445

> <MY_Bayesian#Enrichment>
4.38277931899642e-003

> <MY_Bayesian#EstPGood>
2.11946220896763e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.144067796610169

> <%TP>
1

$$$$
ligand_423
  SciTegic09172218193D

 37 42  0  0  1  0            999 V2000
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 17 19  2  0
 17 34  1  0
 18 20  2  0
 18 35  1  0
 19 20  1  0
 19 36  1  0
 20 37  1  0
M  END
> <Name>
ligand_423

> <OBJECTID>
9223372874376740876

> <activity>
0

> <MY_Bayesian>
-24.4657788056144

> <MY_Bayesian#Enrichment>
4.34230496415218e-003

> <MY_Bayesian#EstPGood>
2.09988927150466e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.148305084745763

> <%TP>
1

$$$$
ligand_542
  SciTegic09172218193D

 29 29  0  0  1  0            999 V2000
    6.4100   27.6113   52.9882 C   0  0
    5.1924   26.9217   52.8627 C   0  0
    6.5937   28.7911   52.2553 C   0  0
    7.5061   27.1331   53.8821 C   0  0
    4.2216   27.3857   51.9738 C   0  0
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    4.4332   28.5395   51.2026 C   0  0
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    1.3490   29.2317   49.2117 C   0  0
    4.7884   25.3600   53.8881 Br  0  0
    1.8086   30.0931   48.2875 C   0  0
    7.6881   27.7635   54.9464 O   0  5
    3.5212   29.0314   50.2874 O   0  0
    5.7982   30.3738   50.5478 O   0  0
    2.1669   28.5873   50.3187 C   0  0
    6.7577   31.3767   50.8791 C   0  0
    6.3053   32.2142   52.0845 C   0  0
    7.5060   29.3434   52.3938 H   0  0
    3.3047   26.8244   51.8871 H   0  0
    0.3063   28.9518   49.1863 H   0  0
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 16 25  1  0
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 17 27  1  0
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M  CHG  1  12  -1
M  END
> <Name>
ligand_542

> <OBJECTID>
9223372277376286732

> <activity>
0

> <MY_Bayesian>
-24.6273616248006

> <MY_Bayesian#Enrichment>
4.18327540181727e-003

> <MY_Bayesian#EstPGood>
2.02298438468625e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.152542372881356

> <%TP>
1

$$$$
ligand_293
  SciTegic09172218193D

 41 43  0  0  1  0            999 V2000
    5.3464   29.4793   51.6640 N   0  0
    6.3059   30.3279   49.8010 N   0  0
    5.7021   29.3051   50.3403 C   0  0
    5.6428   30.7927   51.9566 C   0  0
    6.2822   31.2721   50.7862 C   0  0
    4.8431   28.4708   52.5940 C   0  0
    6.6374   26.1969   51.0879 C   0  0
    6.0133   27.5775   53.1011 C   0  0  2  0  0  0
    6.9201   27.0482   52.1164 O   0  0
    7.5060   25.7591   50.3392 O   0  0
    6.8411   26.2561   54.9047 O   0  0
    5.6415   26.5391   54.1817 C   0  0
    6.7686   25.7132   56.1705 C   0  0
    6.7753   24.7357   58.7810 C   0  0
    6.7667   24.1579   60.5910 Br  0  0
    7.9058   25.8419   56.9672 C   0  0
    5.6370   25.0652   56.6847 C   0  0
    5.6465   24.5580   57.9838 C   0  0
    7.9061   25.3671   58.2754 C   0  0
    5.4508   31.5992   53.0824 C   0  0
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    6.7927   32.5697   50.7630 C   0  0
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  1  3  1  0
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 23 40  1  0
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M  END
> <Name>
ligand_293

> <OBJECTID>
9223372565139095564

> <activity>
0

> <MY_Bayesian>
-24.6580143604397

> <MY_Bayesian#Enrichment>
4.15384193402025e-003

> <MY_Bayesian#EstPGood>
2.00875069456997e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.156779661016949

> <%TP>
1

$$$$
ligand_486
  SciTegic09172218193D

 44 46  0  0  0  0            999 V2000
    5.5260   28.5963   54.0172 N   0  0
    6.4784   27.5268   54.2758 C   0  0  2  0  0  0
    4.8658   28.4452   52.8008 C   0  0
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    3.9058   29.2295   52.1705 C   0  0
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 25 40  1  0
 25 41  1  0
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 26 44  1  0
M  END
> <Name>
ligand_486

> <OBJECTID>
9223372036858118156

> <activity>
0

> <MY_Bayesian>
-24.8874176677512

> <MY_Bayesian#Enrichment>
3.94072392116083e-003

> <MY_Bayesian#EstPGood>
1.90568924852635e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.161016949152542

> <%TP>
1

$$$$
ligand_380
  SciTegic09172218193D

 39 41  0  0  1  0            999 V2000
    6.0021   26.7357   54.5491 C   0  0
    5.7604   27.8571   53.5060 C   0  0
    5.5775   27.6904   52.1086 C   0  0
    5.2660   28.8294   51.3299 C   0  0
    5.7168   29.1073   54.0210 N   0  3
    7.4798   26.6693   55.0183 C   0  0
    5.7598   26.3119   51.4377 C   0  0
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   -0.0943   30.5575   51.0878 Br  0  0
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 26 35  1  0
 27 29  2  0
 27 30  1  0
 27 36  1  0
 28 37  1  0
 29 38  1  0
 30 39  1  0
M  CHG  1   5   1
M  END
> <Name>
ligand_380

> <OBJECTID>
9223372393340403724

> <activity>
0

> <MY_Bayesian>
-25.1392650163722

> <MY_Bayesian#Enrichment>
3.72064381147276e-003

> <MY_Bayesian#EstPGood>
1.79926101167501e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.165254237288136

> <%TP>
1

$$$$
ligand_465
  SciTegic09172218193D

 17 18  0  0  1  0            999 V2000
    7.6022   25.9302   56.5399 O   0  0
    6.7287   25.7742   55.4919 C   0  0
    7.0048   25.3720   57.6389 C   0  0
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M  END
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ligand_465

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-25.1501871873176

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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
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true

> <FalsePositive>
false

> <%FP>
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> <%TP>
1

$$$$
ligand_449
  SciTegic09172218193D

 20 21  0  0  1  0            999 V2000
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> <Name>
ligand_449

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false

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false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.173728813559322

> <%TP>
1

$$$$
ligand_413
  SciTegic09172218193D

 46 47  0  0  1  0            999 V2000
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> <Name>
ligand_413

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.177966101694915

> <%TP>
1

$$$$
ligand_324
  SciTegic09172218193D

 49 52  0  0  1  0            999 V2000
    4.9810   29.9368   51.1687 N   0  0
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> <Name>
ligand_324

> <OBJECTID>
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> <activity>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.69278950926451e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

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true

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false

> <%FP>
0.182203389830508

> <%TP>
1

$$$$
ligand_358
  SciTegic09172218193D

 39 40  0  0  1  0            999 V2000
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ligand_358

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0

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-25.5037314321572

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.65677222722462e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.186440677966102

> <%TP>
1

$$$$
ligand_384
  SciTegic09172218193D

 35 36  0  0  1  0            999 V2000
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M  END
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ligand_384

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0

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.58957167523389e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

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false

> <%FP>
0.190677966101695

> <%TP>
1

$$$$
ligand_502
  SciTegic09172218193D

 31 32  0  0  1  0            999 V2000
    6.6121   26.2318   53.1891 N   0  0
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> <MY_Bayesian#EstPGood>
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1

$$$$
ligand_395
  SciTegic09172218193D

 34 36  0  0  1  0            999 V2000
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> <Name>
ligand_395

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-25.8233303086301

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> <MY_Bayesian#EstPGood>
1.54213887068259e-003

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false

> <PredictedActive>
false

> <TruePositive>
true

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false

> <%FP>
0.199152542372881

> <%TP>
1

$$$$
ligand_291
  SciTegic09172218193D

 36 38  0  0  1  0            999 V2000
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> <Name>
ligand_291

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> <MY_Bayesian#EstPGood>
1.48507489746527e-003

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false

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false

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true

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false

> <%FP>
0.203389830508475

> <%TP>
1

$$$$
ligand_385
  SciTegic09172218193D

 32 33  0  0  1  0            999 V2000
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> <Name>
ligand_385

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> <activity>
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> <MY_Bayesian>
-26.0401453472283

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.46943007724149e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.207627118644068

> <%TP>
1

$$$$
ligand_390
  SciTegic09172218193D

 40 42  0  0  1  0            999 V2000
    7.4098   27.0493   53.5635 S   0  0
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ligand_390

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> <activity>
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> <MY_Bayesian>
-26.0913171419604

> <MY_Bayesian#Enrichment>
3.00427923677901e-003

> <MY_Bayesian#EstPGood>
1.4528352545474e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.211864406779661

> <%TP>
1

$$$$
ligand_551
  SciTegic09172218193D

 24 24  0  0  1  0            999 V2000
    6.0444   27.1394   52.6597 C   0  0
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> <Name>
ligand_551

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> <activity>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.37416449885196e-003

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false

> <PredictedActive>
false

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true

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false

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0.216101694915254

> <%TP>
1

$$$$
ligand_535
  SciTegic09172218193D

 34 35  0  0  1  0            999 V2000
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.220338983050847

> <%TP>
1

$$$$
ligand_531
  SciTegic09172218193D

 26 26  0  0  1  0            999 V2000
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ligand_531

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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.224576271186441

> <%TP>
1

$$$$
ligand_360
  SciTegic09172218193D

 26 28  0  0  1  0            999 V2000
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> <Name>
ligand_360

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9223373930938695692

> <activity>
0

> <MY_Bayesian>
-26.5350616744877

> <MY_Bayesian#Enrichment>
2.72428458288432e-003

> <MY_Bayesian#EstPGood>
1.31743302585872e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.228813559322034

> <%TP>
1

$$$$
ligand_355
  SciTegic09172218193D

 36 37  0  0  1  0            999 V2000
    7.1423   25.8097   56.7237 C   0  0
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> <Name>
ligand_355

> <OBJECTID>
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> <activity>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.31250483766211e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.233050847457627

> <%TP>
1

$$$$
ligand_378
  SciTegic09172218193D

 33 34  0  0  1  0            999 V2000
    4.0179   30.2767   50.3796 C   0  0
    5.4686   30.5841   50.4729 C   0  0
    3.5355   28.9954   50.4173 C   0  0
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> <Name>
ligand_378

> <OBJECTID>
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> <activity>
0

> <MY_Bayesian>
-26.8452536419134

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.23121362739823e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.23728813559322

> <%TP>
1

$$$$
ligand_525
  SciTegic09172218193D

 32 35  0  0  1  0            999 V2000
    6.9256   26.0691   52.4358 C   0  0
    7.9060   26.1261   53.3000 N   0  0
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M  CHG  1   4  -1
M  END
> <Name>
ligand_525

> <OBJECTID>
9223373789204774924

> <activity>
0

> <MY_Bayesian>
-26.9730206452767

> <MY_Bayesian#Enrichment>
2.47641192650859e-003

> <MY_Bayesian#EstPGood>
1.19756462966827e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.241525423728814

> <%TP>
1

$$$$
ligand_519
  SciTegic09172218193D

 21 22  0  0  1  0            999 V2000
    5.5180   29.8501   53.1525 C   0  0
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> <Name>
ligand_519

> <OBJECTID>
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> <activity>
0

> <MY_Bayesian>
-27.1116672608062

> <MY_Bayesian#Enrichment>
2.40332313730738e-003

> <MY_Bayesian#EstPGood>
1.16221972285543e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.245762711864407

> <%TP>
1

$$$$
ligand_334
  SciTegic09172218193D

 26 28  0  0  1  0            999 V2000
    5.5797   25.9914   54.0638 N   0  0
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M  END
> <Name>
ligand_334

> <OBJECTID>
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> <activity>
0

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-27.1417238363384

> <MY_Bayesian#Enrichment>
2.38780191421527e-003

> <MY_Bayesian#EstPGood>
1.15471383597719e-003

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.25

> <%TP>
1

$$$$
ligand_450
  SciTegic09172218193D

 34 35  0  0  1  0            999 V2000
    6.6861   25.1650   57.2955 C   0  0
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$$$$
ligand_464
  SciTegic09172218193D

 26 27  0  0  1  0            999 V2000
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ligand_464

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false

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false

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true

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false

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> <%TP>
1

$$$$
ligand_328
  SciTegic09172218193D

 36 38  0  0  1  0            999 V2000
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

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true

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false

> <%FP>
0.26271186440678

> <%TP>
1

$$$$
ligand_424
  SciTegic09172218193D

 33 34  0  0  1  0            999 V2000
    6.5461   26.0444   54.8734 N   0  0
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> <Name>
ligand_424

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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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false

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false

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false

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> <%TP>
1

$$$$
ligand_550
  SciTegic09172218193D

 26 29  0  0  1  0            999 V2000
    5.3044   30.0188   52.8117 C   0  0
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ligand_550

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> <MY_Bayesian#Enrichment>
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1.06647442214345e-003

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false

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false

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true

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false

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0.271186440677966

> <%TP>
1

$$$$
ligand_427
  SciTegic09172218193D

 32 33  0  0  1  0            999 V2000
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ligand_427

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false

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false

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0.275423728813559

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1

$$$$
ligand_479
  SciTegic09172218193D

 20 21  0  0  1  0            999 V2000
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> <Name>
ligand_479

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1

$$$$
ligand_414
  SciTegic09172218193D

 31 34  0  0  1  0            999 V2000
    6.5733   24.9579   58.1984 C   0  0
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1

$$$$
ligand_544
  SciTegic09172218193D

 30 31  0  0  1  0            999 V2000
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ligand_544

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false

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false

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1

$$$$
ligand_381
  SciTegic09172218193D

 42 43  0  0  1  0            999 V2000
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M  CHG  2   1   1   8  -1
M  END
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ligand_381

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> <activity>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

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true

> <FalsePositive>
false

> <%FP>
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> <%TP>
1

$$$$
ligand_280
  SciTegic09172218193D

 50 51  0  0  1  0            999 V2000
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M  END
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ligand_280

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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false

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true

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false

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0.296610169491525

> <%TP>
1

$$$$
ligand_362
  SciTegic09172218193D

 48 48  0  0  1  0            999 V2000
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ligand_362

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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
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true

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false

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0.300847457627119

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1

$$$$
ligand_421
  SciTegic09172218193D

 31 32  0  0  1  0            999 V2000
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ligand_298
  SciTegic09172218193D

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> <Name>
ligand_298

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0

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> <MY_Bayesian#EstPGood>
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false

> <PredictedActive>
false

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true

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false

> <%FP>
0.309322033898305

> <%TP>
1

$$$$
ligand_475
  SciTegic09172218193D

 16 17  0  0  1  0            999 V2000
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M  CHG  1   8  -1
M  END
> <Name>
ligand_475

> <OBJECTID>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.313559322033898

> <%TP>
1

$$$$
ligand_445
  SciTegic09172218193D

 32 34  0  0  1  0            999 V2000
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> <Name>
ligand_445

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-29.1543762397258

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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false

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false

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true

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false

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1

$$$$
ligand_453
  SciTegic09172218193D

 31 33  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_453

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0

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
7.53335645075059e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

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false

> <%FP>
0.322033898305085

> <%TP>
1

$$$$
ligand_447
  SciTegic09172218193D

 49 53  0  0  1  0            999 V2000
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M  END
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ligand_447

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false

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false

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1

$$$$
ligand_292
  SciTegic09172218193D

 44 47  0  0  1  0            999 V2000
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1

$$$$
ligand_406
  SciTegic09172218193D

 25 27  0  0  1  0            999 V2000
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ligand_406

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false

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1

$$$$
ligand_349
  SciTegic09172218193D

 31 33  0  0  1  0            999 V2000
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> <Name>
ligand_349

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-29.6240845176924

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6.8918721818936e-004

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false

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false

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true

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false

> <%FP>
0.338983050847458

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1

$$$$
ligand_415
  SciTegic09172218193D

 26 28  0  0  1  0            999 V2000
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> <Name>
ligand_415

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

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true

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false

> <%FP>
0.343220338983051

> <%TP>
1

$$$$
ligand_456
  SciTegic09172218193D

 25 26  0  0  1  0            999 V2000
    5.5708   25.6854   55.6365 C   0  0
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    7.7096   26.1580   50.6536 O   0  5
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M  END
> <Name>
ligand_456

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

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false

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true

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false

> <%FP>
0.347457627118644

> <%TP>
1

$$$$
ligand_366
  SciTegic09172218193D

 46 49  0  0  1  0            999 V2000
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> <Name>
ligand_366

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-29.9703929128857

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
6.43241703993245e-004

> <MY_Bayesian#Prediction>
false

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false

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true

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false

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0.351694915254237

> <%TP>
1

$$$$
ligand_435
  SciTegic09172218193D

 38 39  0  0  1  0            999 V2000
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ligand_435

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6.32945883643353e-004

> <MY_Bayesian#Prediction>
false

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false

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true

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false

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0.355932203389831

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1

$$$$
ligand_422
  SciTegic09172218193D

 26 27  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_422

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> <activity>
0

> <MY_Bayesian>
-30.132430388614

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
6.22966822058238e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.360169491525424

> <%TP>
1

$$$$
ligand_476
  SciTegic09172218193D

 42 43  0  0  1  0            999 V2000
    5.2809   28.4159   53.4056 C   0  0
    4.6120   30.3892   51.5155 C   0  0
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    5.3136   32.2695   53.0634 C   0  0
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M  END
> <Name>
ligand_476

> <OBJECTID>
9223373836449415180

> <activity>
0

> <MY_Bayesian>
-30.1753987791512

> <MY_Bayesian#Enrichment>
1.27735690081655e-003

> <MY_Bayesian#EstPGood>
6.17715262758112e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.364406779661017

> <%TP>
1

$$$$
ligand_548
  SciTegic09172218193D

 13 14  0  0  1  0            999 V2000
    6.3356   26.5427   50.3083 N   0  0
    7.0978   26.3182   52.3642 C   0  0
    7.4785   26.5464   51.0785 N   0  0
    5.6880   26.1602   52.4152 C   0  0
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    5.1127   25.4878   56.4640 Br  0  0
    4.3370   26.2560   50.7172 H   0  0
    3.9666   25.7790   53.6994 H   0  0
    7.8814   25.9367   55.4944 H   0  0
  1  3  2  0
  1  5  1  0
  2  3  1  0
  2  4  2  0
  2  6  1  0
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  5 11  1  0
  6  9  2  0
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  7 12  1  0
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M  END
> <Name>
ligand_548

> <OBJECTID>
9223372681103212556

> <activity>
0

> <MY_Bayesian>
-30.1783688741355

> <MY_Bayesian#Enrichment>
1.27661018751682e-003

> <MY_Bayesian#EstPGood>
6.17354160702883e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.36864406779661

> <%TP>
1

$$$$
ligand_477
  SciTegic09172218193D

 32 35  0  0  1  0            999 V2000
    6.1473   26.2243   53.3381 N   0  3
    5.3870   27.1903   53.8906 N   0  0
    6.5338   25.3671   54.3117 N   0  0
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    7.9057   26.1591   51.7671 N   0  5
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    4.9844   28.3770   53.2526 C   0  0
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    5.6734   29.5633   53.5210 C   0  0
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    4.4675   30.6353   51.7293 C   0  0
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    7.5568   25.4580   57.3024 C   0  0
    5.3086   24.6591   57.5141 C   0  0
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    6.8679   24.3239   59.3127 C   0  0
    6.4367   29.6001   54.2861 H   0  0
    3.4897   27.4081   52.0241 H   0  0
    5.9650   31.6078   52.9286 H   0  0
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  1  2  1  0
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  2 11  1  0
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M  CHG  2   1   1   7  -1
M  END
> <Name>
ligand_477

> <OBJECTID>
9223372724052885516

> <activity>
0

> <MY_Bayesian>
-30.3600339633475

> <MY_Bayesian#Enrichment>
1.2318855718794e-003

> <MY_Bayesian#EstPGood>
5.9572584548216e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.372881355932203

> <%TP>
1

$$$$
ligand_399
  SciTegic09172218193D

 37 39  0  0  1  0            999 V2000
    4.9545   27.6679   52.3943 C   0  0
    5.4667   28.2922   53.5359 C   0  0
    4.8886   26.2148   52.2691 N   0  3
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    5.7244   27.5542   54.6708 O   0  0
    4.5517   28.4312   51.3079 C   0  0
    6.8930   26.8667   54.8283 C   0  0
    5.2931   30.4540   52.4058 C   0  0
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    7.9516   26.0203   56.9332 C   0  0
    5.6847   25.3474   56.4216 C   0  0
    6.7241   24.6231   58.4701 C   0  0
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    4.1348   27.9368   50.4393 H   0  0
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    4.7309   24.0931   57.8887 H   0  0
    4.8094   32.4522   53.0268 H   0  0
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    3.3114   32.3500   50.9045 H   0  0
    4.0129   32.5580   49.3286 H   0  0
  1  2  2  0
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  2  5  1  0
  3 10  1  0
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 11 15  2  0
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 18 28  1  0
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 22 32  1  0
 22 33  1  0
 23 24  1  0
 23 34  1  0
 23 35  1  0
 24 36  1  0
 24 37  1  0
M  CHG  2   3   1  10  -1
M  END
> <Name>
ligand_399

> <OBJECTID>
9223373028995563532

> <activity>
0

> <MY_Bayesian>
-30.4219696125936

> <MY_Bayesian#Enrichment>
1.21705519346922e-003

> <MY_Bayesian#EstPGood>
5.88554043231288e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.377118644067797

> <%TP>
1

$$$$
ligand_416
  SciTegic09172218193D

 39 40  0  0  1  0            999 V2000
    3.1919   30.0733   50.7467 C   0  0
    4.1343   30.2944   51.9419 C   0  0  2  0  0  0
    5.3118   31.2095   51.6129 C   0  0
    4.5360   29.0005   52.6872 N   0  3
    5.8821   27.7267   54.2844 C   0  0
    3.1081   28.8747   50.0090 C   0  0
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    5.6035   32.3720   52.3452 C   0  0
    7.0250   27.2955   54.1215 O   0  0
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    4.8882   27.0459   54.8943 N   0  0
    2.2305   28.7656   48.9306 C   0  0
    1.4925   31.0233   49.2987 C   0  0
    3.9016   27.7605   50.2884 N   0  0
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    4.7069   32.8594   53.7373 Cl  0  0
    1.4229   29.8395   48.5745 C   0  0
    0.3892   32.4947   48.8079 Br  0  0
    6.1380   30.8513   50.5525 C   0  0
    6.6810   33.1648   51.9840 C   0  0
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    3.5141   30.7778   52.6881 H   0  0
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  1  2  1  0
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 19 21  2  0
 19 36  1  0
 20 22  2  0
 20 37  1  0
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 21 38  1  0
 22 39  1  0
M  CHG  1   4   1
M  END
> <Name>
ligand_416

> <OBJECTID>
9223372711167983628

> <activity>
0

> <MY_Bayesian>
-30.5749503842747

> <MY_Bayesian#Enrichment>
1.18130496037229e-003

> <MY_Bayesian#EstPGood>
5.71265637291632e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.38135593220339

> <%TP>
1

$$$$
ligand_393
  SciTegic09172218193D

 44 45  0  0  1  0            999 V2000
    7.2003   26.4472   55.1261 N   0  3
    3.2768   30.1192   50.7509 C   0  0
    3.0896   28.7708   51.0882 C   0  0
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    4.1708   28.0208   51.5994 C   0  0
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    6.7628   25.1081   57.3046 C   0  0
    1.6981   28.1595   50.8685 C   0  0
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M  CHG  2   1   1   9  -1
M  END
> <Name>
ligand_393

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9223373333938241548

> <activity>
0

> <MY_Bayesian>
-30.6066835923206

> <MY_Bayesian#Enrichment>
1.1740430295892e-003

> <MY_Bayesian#EstPGood>
5.67753850195214e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.385593220338983

> <%TP>
1

$$$$
ligand_499
  SciTegic09172218193D

 25 26  0  0  1  0            999 V2000
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> <Name>
ligand_499

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> <activity>
0

> <MY_Bayesian>
-30.7084834994842

> <MY_Bayesian#Enrichment>
1.15109518891169e-003

> <MY_Bayesian#EstPGood>
5.56656535556856e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.389830508474576

> <%TP>
1

$$$$
ligand_317
  SciTegic09172218193D

 51 53  0  0  1  0            999 V2000
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    5.1402   27.7067   51.1470 C   0  0
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    1.9056   29.8554   47.4878 Br  0  0
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M  END
> <Name>
ligand_317

> <OBJECTID>
9223372676808245260

> <activity>
0

> <MY_Bayesian>
-30.7462361530522

> <MY_Bayesian#Enrichment>
1.14271806869859e-003

> <MY_Bayesian#EstPGood>
5.52605455541334e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.394067796610169

> <%TP>
1

$$$$
ligand_495
  SciTegic09172218193D

 43 44  0  0  1  0            999 V2000
    4.1768   30.1763   51.2364 C   0  0
    2.8402   29.8702   50.9529 C   0  0
    2.6003   28.5582   51.3232 N   0  0
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    3.7467   28.0273   51.8904 C   0  0
    3.9475   26.8033   52.5243 C   0  0
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M  END
> <Name>
ligand_495

> <OBJECTID>
9223373454197325836

> <activity>
0

> <MY_Bayesian>
-30.8103483528965

> <MY_Bayesian#Enrichment>
1.12865416129734e-003

> <MY_Bayesian#EstPGood>
5.4580430994904e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.398305084745763

> <%TP>
1

$$$$
ligand_530
  SciTegic09172218193D

 42 43  0  0  1  0            999 V2000
    6.4191   28.2482   51.4026 C   0  0
    7.0197   26.9889   51.2834 C   0  0
    6.2870   28.8583   52.6591 C   0  0
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M  CHG  1   5   1
M  END
> <Name>
ligand_530

> <OBJECTID>
9223372998930792460

> <activity>
0

> <MY_Bayesian>
-30.8132118102537

> <MY_Bayesian#Enrichment>
1.12803074577653e-003

> <MY_Bayesian#EstPGood>
5.45502833296745e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.402542372881356

> <%TP>
1

$$$$
ligand_480
  SciTegic09172218193D

 41 43  0  0  1  0            999 V2000
    6.9631   26.8883   54.3552 S   0  0
    5.2319   28.4219   52.8021 C   0  0
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M  END
> <Name>
ligand_480

> <OBJECTID>
9223373965298434060

> <activity>
0

> <MY_Bayesian>
-30.8152228548001

> <MY_Bayesian#Enrichment>
1.12759315270757e-003

> <MY_Bayesian#EstPGood>
5.45291218267777e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.406779661016949

> <%TP>
1

$$$$
ligand_440
  SciTegic09172218193D

 21 22  0  0  1  0            999 V2000
    5.2659   26.5579   52.2046 N   0  0
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    3.7074   26.1558   54.5333 H   0  0
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M  END
> <Name>
ligand_440

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0

> <MY_Bayesian>
-31.0283766727895

> <MY_Bayesian#Enrichment>
1.08231531035616e-003

> <MY_Bayesian#EstPGood>
5.23395368903087e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.411016949152542

> <%TP>
1

$$$$
ligand_338
  SciTegic09172218193D

 29 30  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_338

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9223372470649815052

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-31.0568422312253

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.415254237288136

> <%TP>
1

$$$$
ligand_371
  SciTegic09172218193D

 42 44  0  0  1  0            999 V2000
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    2.1551   29.6104   50.2107 C   0  0
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M  END
> <Name>
ligand_371

> <OBJECTID>
9223372603793801228

> <activity>
0

> <MY_Bayesian>
-31.1220161986127

> <MY_Bayesian#Enrichment>
1.06309833388568e-003

> <MY_Bayesian#EstPGood>
5.14102257743404e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.419491525423729

> <%TP>
1

$$$$
ligand_483
  SciTegic09172218193D

 43 45  0  0  1  0            999 V2000
    5.8350   30.5462   51.9910 C   0  0
    5.8819   29.1925   51.3983 C   0  0
    5.2529   28.2856   52.4501 C   0  0  2  0  0  0
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> <Name>
ligand_483

> <OBJECTID>
9223372204361842700

> <activity>
0

> <MY_Bayesian>
-31.1363551878121

> <MY_Bayesian#Enrichment>
1.06019101000883e-003

> <MY_Bayesian#EstPGood>
5.12696308997705e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.423728813559322

> <%TP>
1

$$$$
ligand_373
  SciTegic09172218193D

 28 30  0  0  1  0            999 V2000
    5.3450   26.0135   53.9937 N   0  0
    6.7009   26.1126   54.2172 C   0  0
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M  END
> <Name>
ligand_373

> <OBJECTID>
9223372616678703116

> <activity>
0

> <MY_Bayesian>
-31.2249137248032

> <MY_Bayesian#Enrichment>
1.04243999900291e-003

> <MY_Bayesian#EstPGood>
5.0411212205611e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.427966101694915

> <%TP>
1

$$$$
ligand_341
  SciTegic09172218193D

 44 46  0  0  1  0            999 V2000
    5.9438   28.2372   52.1624 N   0  0
    5.7625   27.2988   51.2035 C   0  0
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M  END
> <Name>
ligand_341

> <OBJECTID>
9223373484262096908

> <activity>
0

> <MY_Bayesian>
-31.247892238158

> <MY_Bayesian#Enrichment>
1.03789111235737e-003

> <MY_Bayesian#EstPGood>
5.01912332234087e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.432203389830508

> <%TP>
1

$$$$
ligand_369
  SciTegic09172218193D

 22 23  0  0  1  0            999 V2000
    5.5225   26.3215   53.3771 C   0  0
    4.3084   26.2350   53.8792 N   0  0
    6.4742   25.9885   54.3507 C   0  0
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M  END
> <Name>
ligand_369

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0

> <MY_Bayesian>
-31.25315920608

> <MY_Bayesian#Enrichment>
1.03685172741379e-003

> <MY_Bayesian#EstPGood>
5.01409697502075e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.436440677966102

> <%TP>
1

$$$$
ligand_557
  SciTegic09172218193D

 43 45  0  0  1  0            999 V2000
    4.4556   29.7483   51.0726 C   0  0
    5.2192   30.7687   52.9314 N   0  0
    5.3422   28.8511   51.7400 C   0  0
    4.4050   30.9053   51.8007 C   0  0
    5.8159   29.4831   52.9467 C   0  0
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    7.5060   29.3580   55.4668 Br  0  0
    4.3036   29.3580   48.7463 O   0  0
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    5.3394   26.9271   50.2880 O   0  0
    7.2475   25.7580   51.8388 O   0  0
    3.6092   32.1574   51.4403 C   0  0
    2.4190   29.3737   50.0695 O   0  0
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    1.5027   29.0889   49.0183 C   0  0
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    1.0982   30.3729   48.2797 C   0  0
    5.4661   34.0994   54.5596 C   0  0
    5.1034   32.4196   56.2358 C   0  0
    5.2809   33.7465   55.8876 C   0  0
    4.6052   27.3701   49.8478 H   0  0
    2.7491   31.9329   50.8100 H   0  0
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    0.6186   28.6311   49.4614 H   0  0
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    7.9780   26.3868   49.9803 H   0  0
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    0.3526   30.1581   47.5163 H   0  0
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  1  3  1  0
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 23 40  1  0
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 24 41  1  0
 25 26  1  0
 25 42  1  0
 26 43  1  0
M  END
> <Name>
ligand_557

> <OBJECTID>
9223372620973670412

> <activity>
0

> <MY_Bayesian>
-31.2655078118164

> <MY_Bayesian#Enrichment>
1.03441962722189e-003

> <MY_Bayesian#EstPGood>
5.00233561523058e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.440677966101695

> <%TP>
1

$$$$
ligand_404
  SciTegic09172218193D

 39 41  0  0  1  0            999 V2000
    4.7111   29.3929   50.8027 C   0  0
    5.4858   28.1037   50.8680 C   0  0
    5.5599   25.7208   54.2742 O   0  0
    8.3060   26.5923   54.3755 O   0  0
    6.2900   25.7305   55.4455 C   0  0
    4.9266   27.1285   51.6062 N   0  0
    5.3502   30.6434   50.9425 C   0  0
    3.3259   29.3464   50.5969 C   0  0
    7.6183   26.1661   55.4933 C   0  0
    6.3817   25.7050   53.1018 C   0  0  2  0  0  0
    6.5635   27.9725   50.2881 O   0  0
    4.5786   31.8153   50.8820 C   0  0
    7.4962   26.7804   53.2122 C   0  0
    5.5191   25.8084   51.8272 C   0  0
    2.5852   30.5197   50.5491 C   0  0
    3.2047   31.7509   50.6949 C   0  0
    0.7061   30.4436   50.2874 Br  0  0
    6.7201   30.6732   51.1562 O   0  0
    5.6703   25.2722   56.5985 C   0  0
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    7.3869   31.9248   51.3109 C   0  0
    6.3916   25.1910   57.7840 C   0  0
    7.6998   25.6550   57.8405 C   0  0
    4.0510   27.3178   52.0701 H   0  0
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    4.6396   24.9588   56.5705 H   0  0
    9.3242   26.5172   56.7401 H   0  0
    7.3050   32.5357   50.4106 H   0  0
    8.4465   31.7582   51.4941 H   0  0
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    8.2484   25.6230   58.7710 H   0  0
  1  2  1  0
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  2 11  2  0
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 13 28  1  0
 13 29  1  0
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 14 31  1  0
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 15 17  1  0
 16 32  1  0
 18 21  1  0
 19 22  2  0
 19 33  1  0
 20 23  2  0
 20 34  1  0
 21 35  1  0
 21 36  1  0
 21 37  1  0
 22 23  1  0
 22 38  1  0
 23 39  1  0
M  END
> <Name>
ligand_404

> <OBJECTID>
9223373286693601292

> <activity>
0

> <MY_Bayesian>
-31.5502028442546

> <MY_Bayesian#Enrichment>
9.80160027955247e-004

> <MY_Bayesian#EstPGood>
4.73994236713588e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.444915254237288

> <%TP>
1

$$$$
ligand_296
  SciTegic09172218193D

 50 52  0  0  1  0            999 V2000
    5.6222   28.7674   52.9449 C   0  0
    5.4831   29.4121   51.7140 C   0  0
    5.4475   31.2717   53.1808 C   0  0
    5.6764   29.9102   54.2419 S   0  0
    5.4029   30.8317   51.8428 C   0  0
    5.7800   27.3978   53.1637 N   0  0
    5.4789   28.6787   50.4681 C   0  0
    5.3393   26.7020   54.2327 C   0  0
    5.9287   24.5584   57.9114 C   0  0
    5.3646   32.7180   53.6935 C   0  0
    6.3158   24.9581   56.6186 C   0  0
    5.5060   24.6142   55.5499 O   0  0
    6.3022   27.7974   50.2288 O   0  0
    6.7215   24.8736   59.0033 C   0  0
    4.7034   27.1945   55.1626 O   0  0
    7.5082   25.6784   56.4539 C   0  0
    4.4730   28.9598   49.6397 N   0  0
    5.6700   25.1960   54.2455 C   0  0
    4.3065   23.6326   58.2880 Br  0  0
    7.8869   25.6037   58.8249 C   0  0
    4.9922   32.9647   55.1642 C   0  0
    5.3087   31.8043   50.6755 C   0  0
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    5.7469   32.4395   56.2073 C   0  0
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    6.1460   26.8752   52.3799 H   0  0
    6.3058   33.2217   53.4881 H   0  0
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    3.7956   29.6685   49.8740 H   0  0
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    9.2061   26.5579   57.4195 H   0  0
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    9.4990   25.2414   60.1686 H   0  0
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  1  2  2  0
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 27 29  1  0
 27 48  1  0
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 29 50  1  0
M  END
> <Name>
ligand_296

> <OBJECTID>
9223372629563605004

> <activity>
0

> <MY_Bayesian>
-31.598131105102

> <MY_Bayesian#Enrichment>
9.71357581910789e-004

> <MY_Bayesian#EstPGood>
4.69737473965611e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.449152542372881

> <%TP>
1

$$$$
ligand_552
  SciTegic09172218193D

 32 33  0  0  1  0            999 V2000
    6.4255   28.1111   52.4061 C   0  0
    5.3784   26.3042   53.9821 N   0  3
    6.6399   26.8303   53.2412 C   0  0  2  0  0  0
    6.4482   28.1093   50.9953 C   0  0
    6.3043   29.2318   50.2522 N   0  0
    6.2660   29.3563   53.0347 C   0  0
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    6.7086   26.9660   50.2493 N   0  0
    6.0902   30.5145   52.2777 C   0  0
    5.9951   25.1936   54.8661 C   0  0
    4.3079   25.7552   53.0215 C   0  0
    4.7027   27.3580   54.8802 C   0  0
    5.8500   32.2038   53.1208 Br  0  0
    7.7322   26.8495   54.3214 C   0  0
    7.3532   25.7529   55.3236 C   0  0
    6.8762   26.0015   52.5738 H   0  0
    6.2765   29.4457   54.1098 H   0  0
    5.9918   31.2895   50.2716 H   0  0
    6.9631   26.1246   50.7396 H   0  0
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    6.1240   24.3183   54.2265 H   0  0
    5.3109   24.9499   55.6811 H   0  0
    3.9671   26.5748   52.3861 H   0  0
    3.4947   25.3590   53.6298 H   0  0
    4.7520   24.9627   52.4208 H   0  0
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    5.4763   27.8090   55.4878 H   0  0
    3.9640   26.8482   55.4997 H   0  0
    8.7059   26.6775   53.8740 H   0  0
    7.7922   27.8166   54.8257 H   0  0
    7.2827   26.1567   56.3360 H   0  0
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  1  3  1  0
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 12 27  1  0
 12 28  1  0
 14 15  1  0
 14 29  1  0
 14 30  1  0
 15 31  1  0
 15 32  1  0
M  CHG  1   2   1
M  END
> <Name>
ligand_552

> <OBJECTID>
9223373986773270540

> <activity>
0

> <MY_Bayesian>
-31.6913466732752

> <MY_Bayesian#Enrichment>
9.54502453405436e-004

> <MY_Bayesian#EstPGood>
4.61586525607443e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.453389830508475

> <%TP>
1

$$$$
ligand_336
  SciTegic09172218193D

 40 43  0  0  1  0            999 V2000
    5.7049   27.9039   52.6312 C   0  0
    5.2342   29.0519   52.0208 N   0  0
    4.1136   28.6346   51.3222 C   0  0
    3.9307   27.3499   51.4864 N   0  0
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    7.1638   27.7990   53.6385 S   0  0
    5.5927   24.2708   58.3007 N   0  3
    6.0156   25.0783   57.1352 C   0  0
    6.7260   26.7092   54.9917 C   0  0
    5.4383   26.3015   55.1177 N   0  0
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    7.6962   26.3231   55.9282 C   0  0
    3.2298   29.4963   50.4727 C   0  0
    5.7836   30.3451   52.0353 C   0  0
    5.1064   25.5049   56.1615 C   0  0
    4.4801   23.7571   58.2883 O   0  5
    6.3750   24.1566   59.2387 O   0  0
    2.8060   30.7439   50.9371 C   0  0
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    9.4729   26.9578   55.8846 Br  0  0
    1.6063   31.1190   48.8882 C   0  0
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    2.0009   31.5555   50.1477 C   0  0
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    7.0079   33.9966   51.8730 H   0  0
  1  2  1  0
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  2  3  1  0
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M  CHG  2   7   1  16  -1
M  END
> <Name>
ligand_336

> <OBJECTID>
9223373226564059148

> <activity>
0

> <MY_Bayesian>
-31.7651576763792

> <MY_Bayesian#Enrichment>
9.41399806474915e-004

> <MY_Bayesian#EstPGood>
4.55250234641042e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.457627118644068

> <%TP>
1

$$$$
ligand_289
  SciTegic09172218193D

 33 35  0  0  1  0            999 V2000
    6.9226   26.0268   55.0679 C   0  0
    5.9699   26.7670   53.0312 N   0  0
    7.0928   26.3480   53.6694 C   0  0
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    5.6588   26.5457   51.6015 C   0  0  2  0  0  0
    6.2844   25.1527   57.0541 C   0  0
    7.5678   25.7354   57.1402 C   0  0
    6.6975   27.0613   50.5952 C   0  0
    8.1764   26.1585   53.1129 O   0  0
    5.7282   24.5580   58.1969 C   0  0
    6.7060   28.2501   50.2881 O   0  0
    8.3043   25.7581   58.3288 C   0  0
    7.5064   26.1591   50.0382 N   0  0
    4.9752   27.6582   53.6407 C   0  0
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    7.7294   25.1530   59.4484 C   0  0
    5.7224   23.7577   60.9376 Br  0  0
    4.3049   27.2553   51.4193 C   0  0
    4.3060   28.3503   52.4646 C   0  0
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1

$$$$
ligand_521
  SciTegic09172218193D

 36 39  0  0  1  0            999 V2000
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false

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1

$$$$
ligand_299
  SciTegic09172218193D

 37 39  0  0  1  0            999 V2000
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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false

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false

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true

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false

> <%FP>
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> <%TP>
1

$$$$
ligand_389
  SciTegic09172218193D

 37 39  0  0  1  0            999 V2000
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ligand_389

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> <MY_Bayesian#EstPGood>
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false

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true

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false

> <%FP>
0.474576271186441

> <%TP>
1

$$$$
ligand_409
  SciTegic09172218193D

 51 53  0  0  1  0            999 V2000
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M  END
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ligand_409

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true

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0.478813559322034

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1

$$$$
ligand_529
  SciTegic09172218193D

 30 31  0  0  1  0            999 V2000
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ligand_529

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4.00536592534616e-004

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false

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false

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true

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false

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> <%TP>
1

$$$$
ligand_438
  SciTegic09172218193D

 33 35  0  0  1  0            999 V2000
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ligand_492
  SciTegic09172218193D

 24 25  0  0  1  0            999 V2000
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ligand_492

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false

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false

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true

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false

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> <%TP>
1

$$$$
ligand_512
  SciTegic09172218193D

 40 41  0  0  1  0            999 V2000
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false

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false

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true

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false

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> <%TP>
1

$$$$
ligand_520
  SciTegic09172218193D

 22 23  0  0  1  0            999 V2000
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ligand_520

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true

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1

$$$$
ligand_420
  SciTegic09172218193D

 32 33  0  0  1  0            999 V2000
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ligand_420

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> <%TP>
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$$$$
ligand_405
  SciTegic09172218193D

 43 46  0  0  1  0            999 V2000
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ligand_405

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false

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1

$$$$
ligand_348
  SciTegic09172218193D

 38 39  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_348

> <OBJECTID>
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> <activity>
0

> <MY_Bayesian>
-32.9070386682952

> <MY_Bayesian#Enrichment>
7.61909568427108e-004

> <MY_Bayesian#EstPGood>
3.68450797860812e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.51271186440678

> <%TP>
1

$$$$
ligand_342
  SciTegic09172218193D

 47 49  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_342

> <OBJECTID>
9223373123484844044

> <activity>
0

> <MY_Bayesian>
-33.0035437475974

> <MY_Bayesian#Enrichment>
7.43934079038621e-004

> <MY_Bayesian#EstPGood>
3.59758055727648e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.516949152542373

> <%TP>
1

$$$$
ligand_432
  SciTegic09172218193D

 36 38  0  0  1  0            999 V2000
    5.9068   28.4373   53.4688 N   0  0
    6.3748   27.0165   53.6205 C   0  0  1  0  0  0
    5.2624   28.7887   52.2421 C   0  0
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    4.7065   23.3602   59.7923 Br  0  0
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M  END
> <Name>
ligand_432

> <OBJECTID>
9223373759140003852

> <activity>
0

> <MY_Bayesian>
-33.1905178493388

> <MY_Bayesian#Enrichment>
7.10304317924576e-004

> <MY_Bayesian#EstPGood>
3.43495085911009e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.521186440677966

> <%TP>
1

$$$$
ligand_436
  SciTegic09172218193D

 47 49  0  0  1  0            999 V2000
    5.4068   30.0406   52.3325 C   0  0  1  0  0  0
    3.6173   29.2253   51.1003 C   0  0
    5.1151   28.6370   52.7141 N   0  0
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    4.1583   28.1332   51.8844 C   0  0
   -0.9580   32.3096   50.8225 N   0  3
    5.5060   30.9906   53.5753 C   0  0
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    0.0862   31.6805   49.9791 C   0  0
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    0.8049   30.5750   50.4466 C   0  0
   -1.3291   31.7140   51.8315 O   0  5
   -1.4264   33.3883   50.4690 O   0  0
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    5.8246   30.5729   54.6880 O   0  0
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M  CHG  2   6   1  13  -1
M  END
> <Name>
ligand_436

> <OBJECTID>
9223373634585952268

> <activity>
0

> <MY_Bayesian>
-33.3094441478726

> <MY_Bayesian#Enrichment>
6.89708635590729e-004

> <MY_Bayesian#EstPGood>
3.33535248283482e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.525423728813559

> <%TP>
1

$$$$
ligand_331
  SciTegic09172218193D

 44 46  0  0  1  0            999 V2000
    6.0320   24.5610   58.5501 C   0  0
    5.9910   25.1452   56.4942 N   0  0
    5.2732   24.5695   57.4772 N   0  0
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    2.4455   28.9342   49.6559 N   0  3
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M  CHG  2   6   1  16  -1
M  END
> <Name>
ligand_331

> <OBJECTID>
9223372844311969804

> <activity>
0

> <MY_Bayesian>
-33.4131137652269

> <MY_Bayesian#Enrichment>
6.72242525373842e-004

> <MY_Bayesian#EstPGood>
3.25088836121705e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.529661016949153

> <%TP>
1

$$$$
ligand_353
  SciTegic09172218193D

 45 49  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_353

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> <activity>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
3.25063198967401e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.533898305084746

> <%TP>
1

$$$$
ligand_461
  SciTegic09172218193D

 35 36  0  0  1  0            999 V2000
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    6.1379   28.2117   53.2554 C   0  0
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M  END
> <Name>
ligand_461

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9223372174297071628

> <activity>
0

> <MY_Bayesian>
-33.7516569358578

> <MY_Bayesian#Enrichment>
6.1822530596367e-004

> <MY_Bayesian#EstPGood>
2.98966723452891e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.538135593220339

> <%TP>
1

$$$$
ligand_316
  SciTegic09172218193D

 50 53  0  0  1  0            999 V2000
    6.4311   28.7889   53.5388 C   0  0
    6.0599   28.9654   52.2220 C   0  0
    6.0633   29.7983   54.3025 N   0  0
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    7.9060   25.5812   53.3653 O   0  0
    6.1175   28.1741   49.9746 O   0  0
    3.5315   30.4309   50.5060 C   0  0
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M  END
> <Name>
ligand_316

> <OBJECTID>
9223372887261642764

> <activity>
0

> <MY_Bayesian>
-33.8920183718002

> <MY_Bayesian#Enrichment>
5.97122129684193e-004

> <MY_Bayesian#EstPGood>
2.88761467527804e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.542372881355932

> <%TP>
1

$$$$
ligand_368
  SciTegic09172218193D

 29 30  0  0  1  0            999 V2000
    7.0654   26.1559   54.7400 N   0  0
    8.0542   26.1421   55.6501 N   0  0
    5.8624   25.7480   55.2928 C   0  0
    6.1835   25.3715   56.5906 C   0  0
    7.3034   26.5558   53.3911 C   0  0
    5.5055   31.1934   53.4189 N   0  3
    7.5102   25.7548   56.7798 C   0  0
    5.5062   29.8463   52.8102 C   0  0
    6.3854   27.5811   52.7920 C   0  0
    6.3116   28.8511   53.3690 C   0  0
    4.7090   29.5179   51.6985 C   0  0
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    8.2913   26.1586   52.7698 O   0  0
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    4.7779   28.2465   51.1270 C   0  0
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    3.6039   30.6527   51.0010 Cl  0  0
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  1  2  1  0
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M  CHG  2   6   1  12  -1
M  END
> <Name>
ligand_368

> <OBJECTID>
9223373733370200076

> <activity>
0

> <MY_Bayesian>
-34.0622911310533

> <MY_Bayesian#Enrichment>
5.72485813703633e-004

> <MY_Bayesian#EstPGood>
2.76847625445302e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.546610169491525

> <%TP>
1

$$$$
ligand_511
  SciTegic09172218193D

 41 45  0  0  1  0            999 V2000
    6.1775   28.7522   53.0628 C   0  0  2  0  0  0
    6.1794   28.6104   51.5840 N   0  0
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M  END
> <Name>
ligand_511

> <OBJECTID>
9223373707600396300

> <activity>
0

> <MY_Bayesian>
-34.1811325757342

> <MY_Bayesian#Enrichment>
5.55895403011831e-004

> <MY_Bayesian#EstPGood>
2.6882469160966e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.550847457627119

> <%TP>
1

$$$$
ligand_433
  SciTegic09172218193D

 41 42  0  0  1  0            999 V2000
    4.9673   26.7750   51.6297 C   0  0  2  0  0  0
    6.1154   27.1822   50.6880 C   0  0
    5.3879   29.6918   50.8072 C   0  0  1  0  0  0
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M  END
> <Name>
ligand_433

> <OBJECTID>
9223373209384189964

> <activity>
0

> <MY_Bayesian>
-34.1860007235731

> <MY_Bayesian#Enrichment>
5.55226144131846e-004

> <MY_Bayesian#EstPGood>
2.68501045630499e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.555084745762712

> <%TP>
1

$$$$
ligand_467
  SciTegic09172218193D

 46 48  0  0  1  0            999 V2000
    4.8654   28.7394   52.1883 C   0  0  2  0  0  0
    5.1579   27.9502   50.8957 C   0  0
    4.4691   30.2398   51.9082 C   0  0  2  0  0  0
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    5.8315   27.6789   54.2842 N   0  0
    5.6347   31.2977   51.7262 C   0  0  2  0  0  0
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ligand_309
  SciTegic09172218193D

 43 45  0  0  1  0            999 V2000
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ligand_309

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false

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false

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1

$$$$
ligand_451
  SciTegic09172218193D

 25 27  0  0  1  0            999 V2000
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ligand_451

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> <MY_Bayesian#EstPGood>
2.44765952733999e-004

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false

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false

> <TruePositive>
true

> <FalsePositive>
false

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0.567796610169492

> <%TP>
1

$$$$
ligand_401
  SciTegic09172218193D

 30 31  0  0  1  0            999 V2000
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ligand_401

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1

$$$$
ligand_288
  SciTegic09172218193D

 41 44  0  0  1  0            999 V2000
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ligand_288

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
2.4064475912021e-004

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false

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false

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true

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false

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0.576271186440678

> <%TP>
1

$$$$
ligand_347
  SciTegic09172218193D

 37 39  0  0  1  0            999 V2000
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ligand_347

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false

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false

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true

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false

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$$$$
ligand_329
  SciTegic09172218193D

 44 46  0  0  1  0            999 V2000
    4.5693   27.6884   51.6328 N   0  0
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ligand_332
  SciTegic09172218193D

 48 51  0  0  1  0            999 V2000
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ligand_332

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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false

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false

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true

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false

> <%FP>
0.588983050847458

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1

$$$$
ligand_494
  SciTegic09172218193D

 23 24  0  0  1  0            999 V2000
    5.9427   27.0527   53.7914 C   0  0
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> <Name>
ligand_494

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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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false

> <PredictedActive>
false

> <TruePositive>
true

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false

> <%FP>
0.593220338983051

> <%TP>
1

$$$$
ligand_560
  SciTegic09172218193D

 34 37  0  0  1  0            999 V2000
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ligand_560

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false

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false

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true

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false

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0.597457627118644

> <%TP>
1

$$$$
ligand_315
  SciTegic09172218193D

 39 42  0  0  1  0            999 V2000
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> <Name>
ligand_315

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.96346366371264e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

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true

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false

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0.601694915254237

> <%TP>
1

$$$$
ligand_379
  SciTegic09172218193D

 32 33  0  0  1  0            999 V2000
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ligand_379

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false

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true

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false

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0.605932203389831

> <%TP>
1

$$$$
ligand_478
  SciTegic09172218193D

 22 23  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_478

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> <activity>
0

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-35.7454992787596

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.82528304052478e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.610169491525424

> <%TP>
1

$$$$
ligand_463
  SciTegic09172218193D

 37 38  0  0  1  0            999 V2000
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M  CHG  1  14   1
M  END
> <Name>
ligand_463

> <OBJECTID>
9223372453469945868

> <activity>
0

> <MY_Bayesian>
-35.7736289958122

> <MY_Bayesian#Enrichment>
3.74826647787384e-004

> <MY_Bayesian#EstPGood>
1.81261901884052e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.614406779661017

> <%TP>
1

$$$$
ligand_425
  SciTegic09172218193D

 40 43  0  0  1  0            999 V2000
    4.7185   29.4635   51.6571 N   0  0
    3.9567   28.3537   51.5599 C   0  0
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M  END
> <Name>
ligand_425

> <OBJECTID>
9223373187909353484

> <activity>
0

> <MY_Bayesian>
-35.8855648176805

> <MY_Bayesian#Enrichment>
3.64584581588743e-004

> <MY_Bayesian#EstPGood>
1.76308955210311e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.61864406779661

> <%TP>
1

$$$$
ligand_524
  SciTegic09172218193D

 22 23  0  0  1  0            999 V2000
    5.9191   26.1904   53.4821 N   0  0
    4.7060   26.5580   51.6435 N   0  0
    6.0417   26.7811   51.3309 N   0  0
    6.7092   24.6175   59.6833 C   0  0
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    4.6631   26.2054   52.9039 C   0  0
    5.4845   24.1580   59.1984 C   0  0
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    6.3598   25.9162   54.7632 N   0  0
    7.1881   25.5800   57.5125 C   0  0
    5.1060   24.4565   57.8880 C   0  0
    5.9596   25.1398   57.0113 C   0  0
    5.5612   25.4097   55.6225 C   0  0
    9.1060   26.1767   59.4880 Br  0  0
    4.3060   23.1509   60.3064 Br  0  0
    7.0937   24.3790   60.9778 O   0  0
    7.7862   26.6630   52.5610 H   0  0
    3.7775   25.9656   53.4718 H   0  0
    7.8658   26.1499   56.8918 H   0  0
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  1  5  1  0
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 10 12  1  0
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 13 21  1  0
 16 22  1  0
M  END
> <Name>
ligand_524

> <OBJECTID>
9223372182887006220

> <activity>
0

> <MY_Bayesian>
-36.277780086757

> <MY_Bayesian#Enrichment>
3.30854765325187e-004

> <MY_Bayesian#EstPGood>
1.59997599861852e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.622881355932203

> <%TP>
1

$$$$
ligand_387
  SciTegic09172218193D

 30 32  0  0  1  0            999 V2000
    5.5586   27.3236   53.6821 C   0  0
    4.2034   27.2304   51.8876 N   0  0
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    8.1001   26.1579   57.2986 C   0  0
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    3.1458   29.4441   49.6624 Br  0  0
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M  END
> <Name>
ligand_387

> <OBJECTID>
9223373389772816396

> <activity>
0

> <MY_Bayesian>
-36.4336498740052

> <MY_Bayesian#Enrichment>
3.18333136621258e-004

> <MY_Bayesian#EstPGood>
1.53942282698683e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.627118644067797

> <%TP>
1

$$$$
ligand_346
  SciTegic09172218193D

 35 37  0  0  1  0            999 V2000
    6.9144   27.2416   54.1573 C   0  0
    6.8182   27.0223   51.9083 N   0  0
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M  END
> <Name>
ligand_346

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9223373054765367308

> <activity>
0

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-36.8052704609147

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.40413504062792e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

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false

> <%FP>
0.63135593220339

> <%TP>
1

$$$$
ligand_304
  SciTegic09172218193D

 35 37  0  0  1  0            999 V2000
    7.6852   25.9648   54.3687 N   0  0
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M  END
> <Name>
ligand_304

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9223373127779811340

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0

> <MY_Bayesian>
-36.8417224142835

> <MY_Bayesian#Enrichment>
2.87749229056507e-004

> <MY_Bayesian#EstPGood>
1.39152253001068e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.635593220338983

> <%TP>
1

$$$$
ligand_532
  SciTegic09172218193D

 30 32  0  0  1  0            999 V2000
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M  CHG  2   3   1  11  -1
M  END
> <Name>
ligand_532

> <OBJECTID>
9223373059060334604

> <activity>
0

> <MY_Bayesian>
-36.9220257356393

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.36413541700939e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.639830508474576

> <%TP>
1

$$$$
ligand_284
  SciTegic09172218193D

 53 57  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_284

> <OBJECTID>
9223373767729938444

> <activity>
0

> <MY_Bayesian>
-36.9991752247533

> <MY_Bayesian#Enrichment>
2.76750009739289e-004

> <MY_Bayesian#EstPGood>
1.33833155694492e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.644067796610169

> <%TP>
1

$$$$
ligand_340
  SciTegic09172218193D

 41 44  0  0  1  0            999 V2000
    6.9041   27.4775   53.2252 C   0  0
    5.4770   27.8570   51.4495 N   0  0
    6.4441   27.0041   51.0127 C   0  0
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    5.7294   28.3216   52.8159 C   0  0  2  0  0  0
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    1.0061   28.3953   50.7791 H   0  0
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 23 28  2  0
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 24 26  1  0
 24 37  1  0
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 27 28  1  0
 27 40  1  0
 28 41  1  0
M  CHG  1  14  -1
M  END
> <Name>
ligand_340

> <OBJECTID>
9223372217246744588

> <activity>
0

> <MY_Bayesian>
-37.0907111277793

> <MY_Bayesian#Enrichment>
2.70549813137592e-004

> <MY_Bayesian#EstPGood>
1.30834811167195e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.648305084745763

> <%TP>
1

$$$$
ligand_333
  SciTegic09172218193D

 49 52  0  0  1  0            999 V2000
    3.8865   28.4524   51.9811 N   0  0
    5.9852   28.1440   52.7519 C   0  0
    4.6532   27.5174   52.5778 C   0  0
    5.8538   29.4772   52.1732 C   0  0
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    7.0140   27.6574   53.3495 N   0  0
    2.5233   28.2133   51.4878 C   0  0
    6.8073   26.6271   54.2229 N   0  0
    7.5934   26.4885   55.3133 C   0  0
    2.2411   28.6555   50.0253 N   0  3
    3.9432   30.9333   51.8753 C   0  0
    6.7068   30.5495   51.8871 C   0  0
    4.3231   26.3735   52.9023 O   0  0
    8.7026   27.0197   55.3947 O   0  0
    6.1641   24.3158   58.7968 N   0  0
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    6.1559   31.8086   51.6212 C   0  0
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    7.2346   33.3353   51.2981 Br  0  0
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    1.1230   29.7350   50.0038 C   0  0
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M  CHG  1  10   1
M  END
> <Name>
ligand_333

> <OBJECTID>
9223373600226213900

> <activity>
0

> <MY_Bayesian>
-37.1663150282956

> <MY_Bayesian#Enrichment>
2.65533623941236e-004

> <MY_Bayesian#EstPGood>
1.28409039148825e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.652542372881356

> <%TP>
1

$$$$
ligand_310
  SciTegic09172218193D

 50 52  0  0  1  0            999 V2000
    4.9884   28.0519   51.0275 S   0  0
    5.8486   28.9768   52.2905 N   0  0
    6.0882   30.3508   52.1031 C   0  0
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  1  2  1  0
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M  END
> <Name>
ligand_310

> <OBJECTID>
9223373398362750988

> <activity>
0

> <MY_Bayesian>
-37.4886364216356

> <MY_Bayesian#Enrichment>
2.45170497791606e-004

> <MY_Bayesian#EstPGood>
1.18561663045831e-004

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.656779661016949

> <%TP>
1

$$$$
ligand_482
  SciTegic09172218193D

 30 31  0  0  1  0            999 V2000
    6.5572   25.2185   55.8870 N   0  0
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1

$$$$
ligand_505
  SciTegic09172218193D

 20 21  0  0  1  0            999 V2000
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ligand_505

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true

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false

> <%FP>
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> <%TP>
1

$$$$
ligand_504
  SciTegic09172218193D

 51 56  0  0  1  0            999 V2000
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> <Name>
ligand_504

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
9.32670951193997e-005

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false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.669491525423729

> <%TP>
1

$$$$
ligand_306
  SciTegic09172218193D

 42 44  0  0  1  0            999 V2000
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ligand_306

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0

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.673728813559322

> <%TP>
1

$$$$
ligand_345
  SciTegic09172218193D

 28 29  0  0  1  0            999 V2000
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> <Name>
ligand_345

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> <activity>
0

> <MY_Bayesian>
-38.891497570387

> <MY_Bayesian#Enrichment>
1.73238649392122e-004

> <MY_Bayesian#EstPGood>
8.37762396403914e-005

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false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.677966101694915

> <%TP>
1

$$$$
ligand_322
  SciTegic09172218193D

 31 34  0  0  1  0            999 V2000
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> <Name>
ligand_322

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> <MY_Bayesian#Enrichment>
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false

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true

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false

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0.682203389830508

> <%TP>
1

$$$$
ligand_318
  SciTegic09172218193D

 37 38  0  0  1  0            999 V2000
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ligand_318

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> <MY_Bayesian#EstPGood>
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1

$$$$
ligand_487
  SciTegic09172218193D

 34 35  0  0  1  0            999 V2000
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> <Name>
ligand_487

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-39.329377244042

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
7.51694853278156e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.690677966101695

> <%TP>
1

$$$$
ligand_468
  SciTegic09172218193D

 31 34  0  0  1  0            999 V2000
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ligand_468

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.694915254237288

> <%TP>
1

$$$$
ligand_498
  SciTegic09172218193D

 41 47  0  0  1  0            999 V2000
    4.6985   29.1100   52.2575 N   0  0
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ligand_498

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0

> <MY_Bayesian>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.699152542372881

> <%TP>
1

$$$$
ligand_400
  SciTegic09172218193D

 41 43  0  0  1  0            999 V2000
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M  CHG  1  21  -1
M  END
> <Name>
ligand_400

> <OBJECTID>
9223372947391184908

> <activity>
0

> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
6.3931495524738e-005

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false

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false

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true

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false

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0.703389830508475

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1

$$$$
ligand_403
  SciTegic09172218193D

 45 46  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_403

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> <activity>
0

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-40.0274395107756

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> <MY_Bayesian#EstPGood>
6.32392287883677e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

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true

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false

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0.707627118644068

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1

$$$$
ligand_277
  SciTegic09172218193D

 43 45  0  0  1  0            999 V2000
    6.0036   25.9803   52.9157 N   0  0
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false

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1

$$$$
ligand_556
  SciTegic09172218193D

 39 41  0  0  1  0            999 V2000
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ligand_556

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-40.3884469763675

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
5.78323189542856e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.716101694915254

> <%TP>
1

$$$$
ligand_484
  SciTegic09172218193D

 37 40  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_484

> <OBJECTID>
9223373290988568588

> <activity>
0

> <MY_Bayesian>
-40.5120027099313

> <MY_Bayesian#Enrichment>
1.15987066020457e-004

> <MY_Bayesian#EstPGood>
5.60900253621906e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.720338983050847

> <%TP>
1

$$$$
ligand_563
  SciTegic09172218193D

 57 62  0  0  1  0            999 V2000
   -0.1601   31.9259   49.8073 N   0  0
   -0.5108   32.9964   49.0224 C   0  0
   -0.6077   31.6696   51.0873 C   0  0
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> <Name>
ligand_563

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> <activity>
0

> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
5.32325636846768e-005

> <MY_Bayesian#Prediction>
false

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false

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true

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false

> <%FP>
0.724576271186441

> <%TP>
1

$$$$
ligand_386
  SciTegic09172218193D

 32 34  0  0  1  0            999 V2000
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> <Name>
ligand_386

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9223372951686152204

> <activity>
0

> <MY_Bayesian>
-40.7991562780139

> <MY_Bayesian#Enrichment>
1.08027421915303e-004

> <MY_Bayesian#EstPGood>
5.22408320421925e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

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false

> <%FP>
0.728813559322034

> <%TP>
1

$$$$
ligand_339
  SciTegic09172218193D

 41 43  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_339

> <OBJECTID>
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> <activity>
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> <MY_Bayesian>
-40.8031108704215

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
5.21897088758181e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.733050847457627

> <%TP>
1

$$$$
ligand_321
  SciTegic09172218193D

 54 57  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_321

> <OBJECTID>
9223372702578049036

> <activity>
0

> <MY_Bayesian>
-40.8561132687886

> <MY_Bayesian#Enrichment>
1.06514762903196e-004

> <MY_Bayesian#EstPGood>
5.15093273558127e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.73728813559322

> <%TP>
1

$$$$
ligand_272
  SciTegic09172218193D

 52 56  0  0  0  0            999 V2000
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    5.4092   28.5713   53.5433 C   0  0
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M  END
> <Name>
ligand_272

> <OBJECTID>
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> <activity>
0

> <MY_Bayesian>
-41.5910001070497

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
4.29405412574913e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.741525423728814

> <%TP>
1

$$$$
ligand_281
  SciTegic09172218193D

 46 48  0  0  1  0            999 V2000
    6.0497   25.8488   54.5554 C   0  0
    7.5105   25.9776   54.6634 C   0  0
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> <Name>
ligand_281

> <OBJECTID>
9223372384750469132

> <activity>
0

> <MY_Bayesian>
-41.6054985496651

> <MY_Bayesian#Enrichment>
8.84774276893296e-005

> <MY_Bayesian#EstPGood>
4.27866772852119e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.745762711864407

> <%TP>
1

$$$$
ligand_398
  SciTegic09172218193D

 31 33  0  0  1  0            999 V2000
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 17 20  2  0
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 18 28  1  0
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M  END
> <Name>
ligand_398

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9223372913031446540

> <activity>
0

> <MY_Bayesian>
-42.1423183617351

> <MY_Bayesian#Enrichment>
7.74658440113098e-005

> <MY_Bayesian#EstPGood>
3.74616007144408e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.75

> <%TP>
1

$$$$
ligand_312
  SciTegic09172218193D

 29 32  0  0  1  0            999 V2000
    6.0996   26.7082   53.3781 N   0  0
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ligand_312

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.754237288135593

> <%TP>
1

$$$$
ligand_352
  SciTegic09172218193D

 38 40  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_352

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9223372294556155916

> <activity>
0

> <MY_Bayesian>
-42.3429808576589

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
3.56459067744214e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.758474576271186

> <%TP>
1

$$$$
ligand_294
  SciTegic09172218193D

 43 45  0  0  1  0            999 V2000
    3.8945   30.5306   51.3274 C   0  0
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M  END
> <Name>
ligand_294

> <OBJECTID>
9223372144232300556

> <activity>
0

> <MY_Bayesian>
-42.4191817716072

> <MY_Bayesian#Enrichment>
7.23335709021468e-005

> <MY_Bayesian#EstPGood>
3.49796918367055e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.76271186440678

> <%TP>
1

$$$$
ligand_458
  SciTegic09172218193D

 28 29  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_458

> <OBJECTID>
9223373583046344716

> <activity>
0

> <MY_Bayesian>
-42.6171315143391

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
3.33066454035028e-005

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false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.766949152542373

> <%TP>
1

$$$$
ligand_462
  SciTegic09172218193D

 47 50  0  0  1  0            999 V2000
    4.7913   32.2573   53.3159 C   0  0
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ligand_462

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0

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
2.99996200127933e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.771186440677966

> <%TP>
1

$$$$
ligand_428
  SciTegic09172218193D

 35 37  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_428

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9223372792772362252

> <activity>
0

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-43.2790547969088

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
2.82719159305718e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.775423728813559

> <%TP>
1

$$$$
ligand_441
  SciTegic09172218193D

 37 38  0  0  1  0            999 V2000
    4.3380   28.5319   50.5899 C   0  0
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    5.7573   28.5419   51.2182 C   0  0  2  0  0  0
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false

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1

$$$$
ligand_376
  SciTegic09172218193D

 42 44  0  0  1  0            999 V2000
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ligand_376

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false

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false

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true

> <FalsePositive>
false

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0.783898305084746

> <%TP>
1

$$$$
ligand_452
  SciTegic09172218193D

 24 26  0  0  1  0            999 V2000
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> <Name>
ligand_452

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> <activity>
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> <MY_Bayesian>
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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.788135593220339

> <%TP>
1

$$$$
ligand_539
  SciTegic09172218193D

 48 51  0  0  1  0            999 V2000
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M  CHG  3   5   1   8   1  13  -1
M  END
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ligand_539

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9223372882966675468

> <activity>
0

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
2.03542835582046e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

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false

> <%FP>
0.792372881355932

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1

$$$$
ligand_446
  SciTegic09172218193D

 36 38  0  0  1  0            999 V2000
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> <Name>
ligand_446

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9223372380455501836

> <activity>
0

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.93792212153887e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.796610169491525

> <%TP>
1

$$$$
ligand_313
  SciTegic09172218193D

 51 53  0  0  1  0            999 V2000
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ligand_460
  SciTegic09172218193D

 37 38  0  0  1  0            999 V2000
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false

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1

$$$$
ligand_459
  SciTegic09172218193D

 31 33  0  0  1  0            999 V2000
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ligand_407
  SciTegic09172218193D

 29 31  0  0  1  0            999 V2000
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ligand_287
  SciTegic09172218193D

 54 57  0  0  1  0            999 V2000
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ligand_410
  SciTegic09172218193D

 24 25  0  0  1  0            999 V2000
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ligand_471
  SciTegic09172218193D

 52 55  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_471

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

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false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
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> <%TP>
1

$$$$
ligand_382
  SciTegic09172218193D

 38 39  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_382

> <OBJECTID>
9223372891556610060

> <activity>
0

> <MY_Bayesian>
-45.5203616785783

> <MY_Bayesian#Enrichment>
3.35637004906897e-005

> <MY_Bayesian#EstPGood>
1.62310236508587e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.830508474576271

> <%TP>
1

$$$$
ligand_361
  SciTegic09172218193D

 54 56  0  0  1  0            999 V2000
    3.3916   28.4925   51.2454 C   0  0
    4.8296   30.4383   51.0813 C   0  0
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M  END
> <Name>
ligand_361

> <OBJECTID>
9223373419837587468

> <activity>
0

> <MY_Bayesian>
-45.6298712119824

> <MY_Bayesian#Enrichment>
3.26658566331853e-005

> <MY_Bayesian#EstPGood>
1.5796836577536e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.834745762711864

> <%TP>
1

$$$$
ligand_314
  SciTegic09172218193D

 43 46  0  0  1  0            999 V2000
    6.9637   27.4231   52.9524 C   0  0
    7.5031   26.3809   53.5600 N   0  0
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M  END
> <Name>
ligand_314

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9223372376160534540

> <activity>
0

> <MY_Bayesian>
-46.0358125130479

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.42862528225056e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.838983050847458

> <%TP>
1

$$$$
ligand_276
  SciTegic09172218193D

 52 55  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_276

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> <activity>
0

> <MY_Bayesian>
-46.0977930379551

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.40686819712205e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.843220338983051

> <%TP>
1

$$$$
ligand_350
  SciTegic09172218193D

 37 39  0  0  1  0            999 V2000
    5.3397   27.2291   51.1801 C   0  0
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M  END
> <Name>
ligand_350

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
1.40205082807772e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.847457627118644

> <%TP>
1

$$$$
ligand_469
  SciTegic09172218193D

 53 54  0  0  1  0            999 V2000
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M  CHG  1  18   1
M  END
> <Name>
ligand_469

> <OBJECTID>
9223373303873470476

> <activity>
0

> <MY_Bayesian>
-47.0740286347432

> <MY_Bayesian#Enrichment>
2.28454615706567e-005

> <MY_Bayesian#EstPGood>
1.10478052672104e-005

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.851694915254237

> <%TP>
1

$$$$
ligand_396
  SciTegic09172218193D

 47 50  0  0  1  0            999 V2000
    5.7934   28.3316   52.6399 N   0  0
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    6.7953   27.5539   53.2760 C   0  0
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M  END
> <Name>
ligand_396

> <OBJECTID>
9223373003225759756

> <activity>
0

> <MY_Bayesian>
-47.722562428881

> <MY_Bayesian#Enrichment>
1.94563290084354e-005

> <MY_Bayesian#EstPGood>
9.40885932355412e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.855932203389831

> <%TP>
1

$$$$
ligand_307
  SciTegic09172218193D

 40 43  0  0  1  0            999 V2000
    4.5330   28.5507   52.2222 C   0  0
    3.3540   28.1593   51.4523 C   0  0
    5.0642   27.7002   53.1627 C   0  0
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M  END
> <Name>
ligand_307

> <OBJECTID>
9223372367570599948

> <activity>
0

> <MY_Bayesian>
-47.7652336330741

> <MY_Bayesian#Enrichment>
1.92518434751844e-005

> <MY_Bayesian#EstPGood>
9.30997244642394e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.860169491525424

> <%TP>
1

$$$$
ligand_444
  SciTegic09172218193D

 33 36  0  0  1  0            999 V2000
    6.2990   25.9100   55.9621 C   0  0
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> <Name>
ligand_444

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-47.8709647169956

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

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false

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0.864406779661017

> <%TP>
1

$$$$
ligand_391
  SciTegic09172218193D

 39 40  0  0  1  0            999 V2000
    3.3864   30.0785   50.4509 C   0  0
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M  END
> <Name>
ligand_391

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> <activity>
0

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-47.8985197025203

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
9.00773632916261e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.86864406779661

> <%TP>
1

$$$$
ligand_571
  SciTegic09172218193D

 45 47  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_571

> <OBJECTID>
9223372045448052748

> <activity>
0

> <MY_Bayesian>
-47.9525705884994

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.872881355932203

> <%TP>
1

$$$$
ligand_431
  SciTegic09172218193D

 41 43  0  0  1  0            999 V2000
    4.0908   29.5930   50.8203 C   0  0
    2.1340   28.1580   50.5454 N   0  0
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M  CHG  1  24  -1
M  END
> <Name>
ligand_431

> <OBJECTID>
9223373346823143436

> <activity>
0

> <MY_Bayesian>
-48.1346972419711

> <MY_Bayesian#Enrichment>
1.75688178588378e-005

> <MY_Bayesian#EstPGood>
8.49608040875962e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.877118644067797

> <%TP>
1

$$$$
ligand_274
  SciTegic09172218193D

 46 49  0  0  1  0            999 V2000
    5.9939   25.3581   56.6906 C   0  0
    5.2520   24.6390   57.4895 N   0  0
    7.2670   25.5811   57.1873 N   0  0
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    3.5366   29.7747   50.0474 C   0  0
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    3.4708   31.1958   49.8880 C   0  0
    6.6863   25.7397   52.8284 C   0  0
    5.8512   27.1576   51.1806 N   0  0
    2.4622   29.0040   49.4910 C   0  0
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    4.7385   27.7652   51.0604 C   0  0
    5.7452   26.0429   51.9120 N   0  0
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    7.8610   26.1239   52.8007 O   0  0
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   -0.0889   31.9245   47.8888 Br  0  0
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    0.5818   29.0205   48.4480 H   0  0
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 26 28  2  0
 26 43  1  0
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 29 46  1  0
M  END
> <Name>
ligand_274

> <OBJECTID>
9223372590908899340

> <activity>
0

> <MY_Bayesian>
-48.2629147567819

> <MY_Bayesian#Enrichment>
1.70198146016989e-005

> <MY_Bayesian#EstPGood>
8.23058868047145e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.88135593220339

> <%TP>
1

$$$$
ligand_442
  SciTegic09172218193D

 34 36  0  0  1  0            999 V2000
    5.8186   27.7283   52.4394 C   0  0
    5.9273   28.7159   53.3679 N   0  0
    5.4211   27.9078   51.1547 N   0  0
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    4.7548   23.8773   59.2256 O   0  0
    6.1991   26.4082   52.7445 N   0  0
    5.5660   29.9639   52.9818 C   0  0
    5.0564   29.1688   50.8030 C   0  0
    5.4402   23.8245   60.4474 C   0  0
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    6.0820   26.2276   55.1046 C   0  0
    9.1054   26.5593   56.0691 Br  0  0
    4.5754   29.3539   49.3788 C   0  0
    5.6784   31.0502   54.0332 C   0  0
    8.8763   25.2824   58.7324 H   0  0
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  1  2  2  0
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 20 29  1  0
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 21 32  1  0
 21 33  1  0
 21 34  1  0
M  END
> <Name>
ligand_442

> <OBJECTID>
9223372075512823820

> <activity>
0

> <MY_Bayesian>
-48.2938895706647

> <MY_Bayesian#Enrichment>
1.68897799032293e-005

> <MY_Bayesian#EstPGood>
8.16770537989862e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.885593220338983

> <%TP>
1

$$$$
ligand_297
  SciTegic09172218193D

 45 48  0  0  1  0            999 V2000
    4.5017   30.9784   50.7566 N   0  0
    4.0831   28.9756   51.7349 C   0  0
    4.8407   30.1677   51.8247 C   0  0
    3.4525   30.3927   50.0567 C   0  0
    3.1922   29.1350   50.6631 C   0  0
    6.5361   24.9894   56.4382 C   0  0
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    4.9508   26.0056   54.8846 N   0  0
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    7.5073   24.9580   55.6774 O   0  0
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 25 41  1  0
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 26 27  1  0
 26 44  1  0
 27 45  1  0
M  END
> <Name>
ligand_297

> <OBJECTID>
9223373445607391244

> <activity>
0

> <MY_Bayesian>
-48.411873498667

> <MY_Bayesian#Enrichment>
1.64035071685306e-005

> <MY_Bayesian#EstPGood>
7.93254941847981e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.889830508474576

> <%TP>
1

$$$$
ligand_301
  SciTegic09172218193D

 41 44  0  0  1  0            999 V2000
    6.0016   27.6610   51.9477 C   0  0
    6.0285   29.1514   51.9603 C   0  0
    6.8201   26.1580   56.2572 C   0  0  1  0  0  0
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    6.3060   28.4117   49.8880 N   0  0
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    8.1312   26.3603   57.0010 C   0  0
    5.8680   26.6806   52.7573 N   0  0
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    6.9665   26.1715   54.7332 C   0  0
    6.0187   26.8626   54.0683 N   0  0
    6.3071   26.1580   50.0892 O   0  0
    6.8376   24.5484   58.3297 C   0  0
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    5.9049   31.5375   52.4716 C   0  0
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M  END
> <Name>
ligand_301

> <OBJECTID>
9223372509304520716

> <activity>
0

> <MY_Bayesian>
-48.6936332333191

> <MY_Bayesian#Enrichment>
1.52981170548598e-005

> <MY_Bayesian#EstPGood>
7.39799533725169e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.894067796610169

> <%TP>
1

$$$$
ligand_302
  SciTegic09172218193D

 42 45  0  0  1  0            999 V2000
    6.4135   25.8694   55.8881 C   0  0
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M  END
> <Name>
ligand_302

> <OBJECTID>
9223373076240203788

> <activity>
0

> <MY_Bayesian>
-49.0633910512912

> <MY_Bayesian#Enrichment>
1.39597101687808e-005

> <MY_Bayesian#EstPGood>
6.75075699628129e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.898305084745763

> <%TP>
1

$$$$
ligand_377
  SciTegic09172218193D

 52 56  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_377

> <OBJECTID>
9223372062627921932

> <activity>
0

> <MY_Bayesian>
-49.5020159891841

> <MY_Bayesian#Enrichment>
1.25230236670531e-005

> <MY_Bayesian#EstPGood>
6.0559917514633e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.902542372881356

> <%TP>
1

$$$$
ligand_517
  SciTegic09172218193D

 41 46  0  0  1  0            999 V2000
    2.3953   29.4424   50.4952 C   0  0
    3.4930   30.2353   50.5383 C   0  0
    1.2992   29.9786   49.9186 N   0  0
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 20 39  1  0
 24 27  2  0
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 25 27  1  0
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 27 41  1  0
M  CHG  1  26  -1
M  END
> <Name>
ligand_517

> <OBJECTID>
9223372994635825164

> <activity>
0

> <MY_Bayesian>
-49.6494175340593

> <MY_Bayesian#Enrichment>
1.20742025520144e-005

> <MY_Bayesian#EstPGood>
5.83894696716669e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.906779661016949

> <%TP>
1

$$$$
ligand_515
  SciTegic09172218193D

 64 67  0  0  1  0            999 V2000
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   -3.7532   35.3556   51.9430 C   0  0
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    4.7634   29.8915   50.0584 C   0  0
   -3.0708   35.6939   50.7602 C   0  0
    1.4285   31.1839   49.3545 N   0  0
   -2.1687   34.7706   50.2296 C   0  0
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   -1.0073   32.6429   50.2502 N   0  0
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   -1.9242   33.5290   50.8245 C   0  0
    6.4551   28.2070   53.0433 C   0  0
   -3.5227   34.1185   52.5526 C   0  0
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   -5.8262   35.8119   52.8635 O   0  5
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 36 63  1  0
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M  CHG  2   3   1  18  -1
M  END
> <Name>
ligand_515

> <OBJECTID>
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> <activity>
0

> <MY_Bayesian>
-49.8503868542967

> <MY_Bayesian#Enrichment>
1.14880773604283e-005

> <MY_Bayesian#EstPGood>
5.55550349377387e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.911016949152542

> <%TP>
1

$$$$
ligand_397
  SciTegic09172218193D

 57 61  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_397

> <OBJECTID>
9223373935233662988

> <activity>
0

> <MY_Bayesian>
-50.8653548963795

> <MY_Bayesian#Enrichment>
8.93517587029809e-006

> <MY_Bayesian#EstPGood>
4.32094938147894e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.915254237288136

> <%TP>
1

$$$$
ligand_388
  SciTegic09172218193D

 46 49  0  0  1  0            999 V2000
    5.9564   28.3225   53.5636 N   0  0
    6.8726   28.1750   54.5772 C   0  0
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M  END
> <Name>
ligand_388

> <OBJECTID>
9223373922348761100

> <activity>
0

> <MY_Bayesian>
-50.9368695300117

> <MY_Bayesian#Enrichment>
8.77834878414732e-006

> <MY_Bayesian#EstPGood>
4.24510958708218e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.919491525423729

> <%TP>
1

$$$$
ligand_374
  SciTegic09172218193D

 40 43  0  0  1  0            999 V2000
    4.9249   28.3074   50.6674 C   0  0
    3.1634   29.6381   50.6047 N   0  0
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  1  3  2  0
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 25 26  2  0
 25 37  1  0
 26 28  1  0
 26 38  1  0
 27 28  2  0
 27 39  1  0
 28 40  1  0
M  END
> <Name>
ligand_374

> <OBJECTID>
9223372234426613772

> <activity>
0

> <MY_Bayesian>
-51.0565136087275

> <MY_Bayesian#Enrichment>
8.52210577388022e-006

> <MY_Bayesian#EstPGood>
4.12119338299241e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.923728813559322

> <%TP>
1

$$$$
ligand_561
  SciTegic09172218193D

 47 50  0  0  1  0            999 V2000
    6.3839   31.8919   50.5267 N   0  3
    5.3793   30.8145   50.6150 C   0  0
   -1.9294   34.9529   50.0963 C   0  0
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   -1.5022   33.5857   50.4409 N   0  0
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    6.1389   32.9577   51.0861 O   0  5
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   -3.3650   36.9276   50.9331 C   0  0  1  0  0  0
   -3.2071   36.4701   48.4492 C   0  0  2  0  0  0
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   -0.0998   31.8393   50.5943 N   0  5
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M  CHG  3   1   1  12  -1  17  -1
M  END
> <Name>
ligand_561

> <OBJECTID>
9223372573729030156

> <activity>
0

> <MY_Bayesian>
-51.4857250559347

> <MY_Bayesian#Enrichment>
7.66287349037694e-006

> <MY_Bayesian#EstPGood>
3.7056784275127e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.927966101694915

> <%TP>
1

$$$$
ligand_493
  SciTegic09172218193D

 46 49  0  0  1  0            999 V2000
    6.2524   27.7570   53.8728 C   0  0
    6.4723   26.4716   54.3174 N   0  0
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    5.8736   29.0154   51.6899 C   0  0  2  0  0  0
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$$$$
ligand_290
  SciTegic09172218193D

 44 47  0  0  1  0            999 V2000
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ligand_290

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-51.6636805946501

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

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true

> <FalsePositive>
false

> <%FP>
0.936440677966102

> <%TP>
1

$$$$
ligand_537
  SciTegic09172218193D

 38 41  0  0  1  0            999 V2000
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ligand_537

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> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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false

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false

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true

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false

> <%FP>
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1

$$$$
ligand_295
  SciTegic09172218193D

 34 37  0  0  1  0            999 V2000
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ligand_295

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> <MY_Bayesian#Enrichment>
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$$$$
ligand_516
  SciTegic09172218193D

 44 46  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_516

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0.949152542372881

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$$$$
ligand_518
  SciTegic09172218193D

 49 52  0  0  1  0            999 V2000
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-55.0442309047042

> <MY_Bayesian#Enrichment>
3.17486956326914e-006

> <MY_Bayesian#EstPGood>
1.53533079536648e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.953389830508475

> <%TP>
1

$$$$
ligand_363
  SciTegic09172218193D

 56 60  0  0  1  0            999 V2000
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M  END
> <Name>
ligand_363

> <OBJECTID>
9223372934506283020

> <activity>
0

> <MY_Bayesian>
-55.2096335754015

> <MY_Bayesian#Enrichment>
3.04746710322992e-006

> <MY_Bayesian#EstPGood>
1.47372041534751e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.957627118644068

> <%TP>
1

$$$$
ligand_279
  SciTegic09172218193D

 58 62  0  0  1  0            999 V2000
    5.5875   30.3122   51.0910 N   0  0
    3.2967   30.0598   50.1728 C   0  0
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   -0.2701   32.1582   48.6389 C   0  0
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M  END
> <Name>
ligand_279

> <OBJECTID>
9223372732642820108

> <activity>
0

> <MY_Bayesian>
-55.973175374981

> <MY_Bayesian#Enrichment>
2.52249808054915e-006

> <MY_Bayesian#EstPGood>
1.21985136936841e-006

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.961864406779661

> <%TP>
1

$$$$
ligand_426
  SciTegic09172218193D

 52 55  0  0  1  0            999 V2000
    6.3779   28.7463   52.0306 C   0  0
    5.9080   30.0039   52.3440 N   0  0
    0.0928   32.4629   49.4643 C   0  0
   -1.0005   33.3159   49.6810 C   0  0
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   -1.8482   33.4083   48.5473 C   0  0
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   -2.1681   32.3492   46.1834 C   0  0
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   -3.4109   33.2594   46.0590 C   0  0
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M  END
> <Name>
ligand_426

> <OBJECTID>
9223372852901904396

> <activity>
0

> <MY_Bayesian>
-56.7767808497372

> <MY_Bayesian#Enrichment>
2.06734840949649e-006

> <MY_Bayesian#EstPGood>
9.99746167393269e-007

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.966101694915254

> <%TP>
1

$$$$
ligand_305
  SciTegic09172218193D

 55 58  0  0  1  0            999 V2000
    4.6567   27.5305   52.6750 C   0  0
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    7.2185   25.9596   56.4293 N   0  3  2  0  0  0
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   -0.0939   26.9580   48.1502 Br  0  0
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M  CHG  1   9   1
M  END
> <Name>
ligand_305

> <OBJECTID>
9223373711895363596

> <activity>
0

> <MY_Bayesian>
-57.3388544552524

> <MY_Bayesian#Enrichment>
1.79874485881995e-006

> <MY_Bayesian#EstPGood>
8.69852546606583e-007

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.970338983050847

> <%TP>
1

$$$$
ligand_412
  SciTegic09172218193D

 31 33  0  0  1  0            999 V2000
    5.1670   23.5906   60.2832 C   0  0
    6.5702   27.3673   50.9513 C   0  0
    5.6736   28.4210   50.7345 C   0  0
    4.7060   23.8935   59.0535 N   0  0
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    6.0215   27.3928   53.3314 C   0  0
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ligand_412

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$$$$
ligand_470
  SciTegic09172218193D

 49 52  0  0  1  0            999 V2000
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ligand_470

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> <activity>
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-60.0468238858956

> <MY_Bayesian#Enrichment>
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> <MY_Bayesian#EstPGood>
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> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.978813559322034

> <%TP>
1

$$$$
ligand_282
  SciTegic09172218193D

 61 65  0  0  1  0            999 V2000
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M  END
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ligand_282

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1

$$$$
ligand_562
  SciTegic09172218193D

 47 49  0  0  1  0            999 V2000
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ligand_562

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> <%TP>
1

$$$$
ligand_283
  SciTegic09172218193D

 44 47  0  0  1  0            999 V2000
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ligand_283

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> <FalsePositive>
false

> <%FP>
0.991525423728814

> <%TP>
1

$$$$
ligand_473
  SciTegic09172218193D

 32 33  0  0  1  0            999 V2000
    5.1383   29.8502   50.7514 C   0  0
    6.0897   25.0148   57.0400 C   0  0
    5.9778   30.9619   50.2882 N   0  3
    5.1066   24.5578   57.8883 N   0  0
    5.9642   25.3841   55.6493 C   0  0
    5.5181   29.0658   51.8521 C   0  0
    7.2302   24.9587   57.8296 C   0  0
    5.5443   24.2644   59.1191 N   0  0
    4.6895   28.0168   52.3091 C   0  0
    3.9368   29.5882   50.0914 C   0  0
    6.8312   24.5311   59.1014 C   0  0
    4.3076   26.3300   54.0600 N   0  0
    5.4853   32.0852   50.2971 O   0  5
    7.1035   30.6960   49.8833 O   0  0
    3.5079   27.7574   51.5955 C   0  0
    4.7122   25.7618   55.2562 N   0  0
    3.1269   28.5407   50.5086 C   0  0
    6.9683   25.4123   54.9315 O   0  0
    5.0274   27.2488   53.5278 C   0  0
    6.7016   29.3615   52.4868 O   0  0
    1.4949   28.1815   49.5972 Br  0  0
    7.6621   24.3652   60.3511 C   0  0
    4.1259   24.4763   57.6527 H   0  0
    8.2335   25.2284   57.5329 H   0  0
    3.6324   30.1913   49.2477 H   0  0
    2.8539   26.9487   51.8867 H   0  0
    3.9393   25.3717   55.7728 H   0  0
    5.9613   27.5521   53.9922 H   0  0
    6.8767   28.7884   53.2357 H   0  0
    8.7191   24.5620   60.1678 H   0  0
    7.5912   23.3576   60.7562 H   0  0
    7.3436   25.0500   61.1377 H   0  0
  1  3  1  0
  1  6  2  0
  1 10  1  0
  2  4  1  0
  2  5  1  0
  2  7  2  0
  3 13  1  0
  3 14  2  0
  4  8  1  0
  4 23  1  0
  5 16  1  0
  5 18  2  0
  6  9  1  0
  6 20  1  0
  7 11  1  0
  7 24  1  0
  8 11  2  0
  9 15  2  0
  9 19  1  0
 10 17  2  0
 10 25  1  0
 11 22  1  0
 12 16  1  0
 12 19  2  0
 15 17  1  0
 15 26  1  0
 16 27  1  0
 17 21  1  0
 19 28  1  0
 20 29  1  0
 22 30  1  0
 22 31  1  0
 22 32  1  0
M  CHG  2   3   1  13  -1
M  END
> <Name>
ligand_473

> <OBJECTID>
9223372505009553420

> <activity>
0

> <MY_Bayesian>
-63.6895991320168

> <MY_Bayesian#Enrichment>
3.76706266269465e-007

> <MY_Bayesian#EstPGood>
1.82170863994643e-007

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
0.995762711864407

> <%TP>
1

$$$$
ligand_275
  SciTegic09172218193D

 41 43  0  0  1  0            999 V2000
    6.7063   24.8491   58.8173 N   0  0
    4.0348   29.0324   50.7817 C   0  0
    5.7058   24.1581   59.4421 C   0  0
    2.3799   30.4715   49.7176 C   0  0
    2.7713   29.2056   50.1758 C   0  0
    6.9648   26.3476   53.2514 C   0  0
    3.2167   31.5708   49.8881 C   0  0
    6.7183   25.2399   57.4456 C   0  0
    5.6727   27.5054   51.6732 N   0  0
    4.8771   30.1530   50.8951 C   0  0
    6.8568   25.9449   54.7072 C   0  0
    4.4684   31.4110   50.4690 C   0  0
    5.7949   26.5519   52.6112 N   0  0
    4.4599   27.7534   51.3757 C   0  0
    4.7059   23.6249   58.9646 O   0  0
    8.0733   26.5570   52.7443 O   0  0
    7.9062   25.7131   56.8811 C   0  0
    5.5780   25.2023   56.6277 C   0  0
    5.6467   25.5226   55.2762 C   0  0
    7.9780   26.0569   55.5359 C   0  0
    0.7060   30.7350   48.8437 Br  0  0
    1.8969   28.1580   50.0042 O   0  0
    7.8367   25.0887   59.7358 C   0  0
    5.6257   32.9039   50.6899 Br  0  0
    6.0199   24.1657   60.9279 C   0  0
    7.5065   24.3711   61.0240 C   0  0
    2.9004   32.5459   49.5486 H   0  0
    5.8493   30.0705   51.3625 H   0  0
    4.9265   26.2536   53.0273 H   0  0
    3.6502   27.0532   51.5791 H   0  0
    8.8076   25.8071   57.4673 H   0  0
    4.6101   24.9385   57.0185 H   0  0
    4.7364   25.4503   54.6990 H   0  0
    8.9223   26.4155   55.1508 H   0  0
    2.3065   27.2906   49.8879 H   0  0
    8.7738   24.7086   59.3262 H   0  0
    7.9566   26.1577   59.9060 H   0  0
    5.6923   23.2436   61.4093 H   0  0
    5.4696   24.9906   61.3847 H   0  0
    7.7982   24.9454   61.9040 H   0  0
    8.0233   23.4106   61.0650 H   0  0
  1  3  1  0
  1  8  1  0
  1 23  1  0
  2  5  1  0
  2 10  2  0
  2 14  1  0
  3 15  2  0
  3 25  1  0
  4  5  2  0
  4  7  1  0
  4 21  1  0
  5 22  1  0
  6 11  1  0
  6 13  1  0
  6 16  2  0
  7 12  2  0
  7 27  1  0
  8 17  1  0
  8 18  2  0
  9 13  1  0
  9 14  2  0
 10 12  1  0
 10 28  1  0
 11 19  2  0
 11 20  1  0
 12 24  1  0
 13 29  1  0
 14 30  1  0
 17 20  2  0
 17 31  1  0
 18 19  1  0
 18 32  1  0
 19 33  1  0
 20 34  1  0
 22 35  1  0
 23 26  1  0
 23 36  1  0
 23 37  1  0
 25 26  1  0
 25 38  1  0
 25 39  1  0
 26 40  1  0
 26 41  1  0
M  END
> <Name>
ligand_275

> <OBJECTID>
9223373312463405068

> <activity>
0

> <MY_Bayesian>
-64.0106257220264

> <MY_Bayesian#Enrichment>
3.47639387994429e-007

> <MY_Bayesian#EstPGood>
1.68114452399932e-007

> <MY_Bayesian#Prediction>
false

> <PredictedActive>
false

> <TruePositive>
true

> <FalsePositive>
false

> <%FP>
1

> <%TP>
1

$$$$
