# Number of Dimensions
283
# Number of Examples
200
# Number of Instances of molecule (0)
5
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6.549989
6.892773
5.612705
5.903729
7.466277
7.624607
7.775735
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
3
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9.135928
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10.624272
12.327488
8.971175
11.200744
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10.439361
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# Label of molecule (1)
0.916457
# Number of Instances of molecule (2)
5
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7.638005
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6.106464
# Label of molecule (2)
0.913465
# Number of Instances of molecule (3)
3
10.508078
9.130982
9.572416
10.601982
12.383698
9.069060
11.375474
9.346032
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8.716933
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9.766682
12.458943
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8.912308
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12.484648
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11.716626
10.674049
9.871430
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11.952523
10.065684
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12.733061
8.875165
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12.366214
11.527176
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11.560329
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12.377725
8.298884
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12.640619
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11.692713
12.276081
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10.389487
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8.667204
10.263268
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7.326472
8.432156
11.019990
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8.710590
10.229995
7.813051
10.813015
10.678676
7.617225
9.077777
10.058224
9.859340
8.367936
6.026222
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6.049198
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8.717766
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7.898203
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10.390898
6.653989
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10.565321
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9.049104
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6.137272
5.993957
6.047548
5.604541
8.864650
5.823420
# Label of molecule (3)
0.912072
# Number of Instances of molecule (4)
4
10.493572
9.008804
9.472361
10.661619
12.424597
8.940615
11.437443
9.104183
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6.938156
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8.261345
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6.239326
6.306711
6.183660
6.774743
7.606922
5.204505
# Label of molecule (4)
0.914631
# Number of Instances of molecule (5)
5
10.660281
9.120315
9.610776
10.588235
12.379176
8.932626
11.327051
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10.303459
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4.750664
6.543443
# Label of molecule (5)
0.890022
# Number of Instances of molecule (6)
5
10.621502
8.883765
9.636267
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# Label of molecule (6)
0.914964
# Number of Instances of molecule (7)
4
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6.701361
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6.267266
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7.588961
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7.034501
7.712012
9.139546
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7.337611
5.812906
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8.825816
6.661077
7.350917
8.727668
8.045640
6.655461
# Label of molecule (7)
0.905930
# Number of Instances of molecule (8)
5
10.422152
9.068293
9.588356
10.662736
12.576364
9.135312
11.370421
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10.280550
8.967567
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10.924169
9.080906
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6.291646
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9.282989
7.907548
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9.025633
9.017409
8.161112
8.112163
7.677583
9.081515
5.674496
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5.689016
6.415357
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5.633473
7.698233
8.256722
# Label of molecule (8)
0.899392
# Number of Instances of molecule (9)
4
10.474019
8.943925
9.484211
10.516831
12.574033
8.966497
11.190402
9.300606
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8.863818
10.939279
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6.164800
# Label of molecule (9)
0.904808
# Number of Instances of molecule (10)
4
10.577530
9.107841
9.728053
10.506084
12.460768
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8.864040
5.379925
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5.591601
5.492843
# Label of molecule (10)
0.794849
# Number of Instances of molecule (11)
5
10.650099
9.041418
9.561048
10.685812
12.361340
8.903242
11.474142
9.183824
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12.374737
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11.977326
10.052429
8.671034
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11.280440
11.082340
6.963883
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9.382970
5.923978
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7.905591
# Label of molecule (11)
0.815504
# Number of Instances of molecule (12)
4
10.402463
8.929079
9.530231
10.700403
12.498209
8.866034
11.286498
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6.988327
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7.324763
7.462096
# Label of molecule (12)
0.799506
# Number of Instances of molecule (13)
4
10.554608
8.920496
9.595563
10.561984
12.573219
8.903817
11.438755
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10.376776
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8.135640
5.616886
# Label of molecule (13)
0.780594
# Number of Instances of molecule (14)
4
10.402453
8.890071
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8.501511
# Label of molecule (14)
0.827306
# Number of Instances of molecule (15)
3
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7.057955
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6.258492
6.967254
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6.092105
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7.396054
7.130665
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6.958663
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8.254479
4.939558
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8.859966
6.738075
6.835856
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7.220267
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5.138295
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7.289361
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8.700293
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4.928938
6.245018
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4.922590
8.008133
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6.094867
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5.325556
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7.675481
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7.268365
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7.587222
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6.137471
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8.203818
6.347438
6.905316
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5.492920
7.558412
5.250847
6.795206
8.354213
7.717841
8.580782
6.088275
8.022660
4.965316
8.368984
6.492218
8.451872
5.368404
7.050340
4.971053
4.938093
7.244194
6.344874
5.056505
8.862285
8.254479
5.885876
7.595645
6.423124
5.649419
7.027757
6.084124
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6.035173
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5.961074
8.691748
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6.353420
8.746559
7.246025
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5.591311
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6.331690
8.547456
7.816355
5.898572
5.065905
7.980178
8.144002
# Label of molecule (15)
0.818431
# Number of Instances of molecule (16)
5
10.581671
9.041619
9.499033
10.593730
12.501949
8.872463
11.268763
9.324773
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12.181748
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6.999512
7.183477
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7.127445
8.805475
# Label of molecule (16)
0.786052
# Number of Instances of molecule (17)
3
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6.366558
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5.347728
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8.519700
6.365459
5.203436
5.627644
5.597247
5.009217
8.077548
7.987091
5.537065
4.932310
5.223334
6.261330
6.176611
8.099033
5.405347
6.751823
5.549883
6.558947
6.593371
6.401959
5.742851
5.666066
4.970733
5.430952
5.128086
4.836695
7.007904
8.242439
6.858974
5.960997
8.006348
7.819697
7.447737
6.715415
6.163884
7.031831
8.059450
8.367687
7.318216
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5.013947
4.898709
6.554277
7.486190
7.470443
6.712485
7.681631
6.493606
7.163915
6.303903
8.451796
4.849635
7.073336
7.265358
5.394208
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5.893857
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6.144230
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7.136692
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8.395520
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6.186346
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5.834407
6.048280
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8.348521
6.455153
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6.064394
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8.516739
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6.410962
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6.794519
8.627216
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7.692984
6.042909
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8.077761
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6.096133
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6.859340
5.892636
7.067843
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7.408307
8.026368
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4.873562
5.253456
7.107395
7.680044
6.148991
5.084384
8.298715
7.937132
6.737022
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8.471328
5.131260
8.142338
8.090945
5.023591
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5.076937
7.772454
7.596301
5.973083
7.158910
7.198706
5.372112
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5.959044
6.586016
5.003571
7.885617
6.886563
6.417310
5.089267
8.163945
7.130955
6.465041
7.926634
8.277230
7.316263
7.306253
6.910978
7.587878
6.240669
8.205084
5.959532
7.138401
6.077212
5.236732
5.332560
5.474654
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7.530503
6.229194
8.775170
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6.157781
5.033235
6.954924
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6.086001
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6.970061
8.398083
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7.847163
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4.922514
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6.028016
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6.372387
5.177160
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8.055666
6.406568
4.879910
7.487289
6.139225
5.448531
8.055422
6.360424
# Label of molecule (17)
0.825025
# Number of Instances of molecule (18)
4
10.373393
8.974577
9.570481
10.503240
12.433781
9.109508
11.185552
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7.681982
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6.187918
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8.023789
5.426786
6.806345
8.038926
6.346858
7.239341
6.410337
# Label of molecule (18)
0.807404
# Number of Instances of molecule (19)
5
10.609930
9.114846
9.513110
10.548228
12.334775
8.909017
11.304120
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4.941588
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6.832026
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4.801325
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6.553697
8.532762
4.843318
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6.345805
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6.328593
8.275552
7.044069
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5.731040
5.827723
8.366619
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6.549959
6.469756
6.212180
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8.614963
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5.368404
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8.097858
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5.503906
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7.844066
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7.759346
5.442869
5.315424
7.875317
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6.953658
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8.797220
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6.881146
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6.707190
5.968154
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7.633000
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7.733589
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6.111469
6.781533
8.754982
5.689947
6.614780
8.309656
6.786172
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6.802896
7.187674
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7.675970
7.850291
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7.056688
7.664983
8.357997
6.224631
6.919721
8.141682
8.803934
6.161763
8.401822
5.885998
7.120411
6.668249
6.300928
8.396329
8.716529
6.443632
6.549348
8.542573
6.993454
6.723304
9.052599
6.306543
8.227256
5.701666
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8.692480
7.353938
8.106159
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5.904553
9.031358
6.903974
6.238792
7.853832
6.205100
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7.460997
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8.645116
9.025254
5.306391
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6.335597
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6.231590
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6.267846
5.400876
5.676397
8.663182
5.504273
6.375027
8.393521
5.920667
# Label of molecule (19)
0.810821
# Number of Instances of molecule (20)
4
10.523048
8.880415
9.483520
10.520326
12.401122
8.930082
11.438399
9.134703
10.378580
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8.767169
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10.208197
6.495231
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7.662832
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6.046571
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6.129826
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7.029633
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6.435255
8.018921
7.085788
8.653340
6.424268
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6.067446
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7.224708
6.439894
5.462203
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8.279672
7.869991
7.801996
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6.455397
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6.226997
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6.297922
6.235298
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6.160222
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8.349254
6.785485
5.741386
7.112400
8.120365
5.881527
7.350932
# Label of molecule (20)
0.811000
# Number of Instances of molecule (21)
5
10.457457
9.125775
9.678715
10.732324
12.391309
8.983180
11.199117
9.252043
10.324384
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12.223084
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12.420548
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11.000508
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6.160689
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6.434477
8.512787
5.302118
8.150227
5.738289
# Label of molecule (21)
0.803892
# Number of Instances of molecule (22)
5
10.586091
9.090134
9.690039
10.471184
12.544009
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6.262261
# Label of molecule (22)
0.774413
# Number of Instances of molecule (23)
3
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7.010712
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6.210395
8.654317
6.506912
7.641224
5.056429
8.159673
4.873684
# Label of molecule (23)
0.835195
# Number of Instances of molecule (24)
4
10.666478
9.020397
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7.054277
5.945723
8.544191
7.577609
9.073260
5.505646
8.660649
# Label of molecule (24)
0.791475
# Number of Instances of molecule (25)
5
10.622264
8.902292
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12.375359
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8.790384
6.051042
# Label of molecule (25)
0.762715
# Number of Instances of molecule (26)
3
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6.522889
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5.211203
# Label of molecule (26)
0.828823
# Number of Instances of molecule (27)
5
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5.687536
7.774148
6.948439
8.226310
8.804209
8.573122
6.627750
6.861888
8.481079
7.005325
6.795114
6.138478
7.022416
7.545625
7.593844
7.739113
7.438200
8.614750
7.946028
6.874096
7.056597
6.623112
5.645787
8.696905
8.067370
5.352199
7.070147
8.992569
5.868084
6.044725
6.380551
5.515778
6.091601
7.582858
8.093982
8.351680
7.187338
8.125355
8.894055
7.673925
7.432585
5.582675
8.560549
7.279382
5.248192
8.301996
5.891034
6.267510
7.694922
5.336940
5.488922
5.245994
8.022446
7.681494
7.294885
7.433439
7.150716
5.835856
8.734016
7.035600
7.953841
7.086993
7.356410
7.270959
5.224143
5.871868
5.844768
8.418210
8.192618
6.604556
7.263390
8.263665
6.475646
8.336665
6.425108
7.321253
8.330195
6.630558
5.250145
5.201193
6.085864
6.017869
5.992111
8.502197
5.633213
6.418271
6.206595
8.601444
6.840770
8.896008
5.336085
5.719520
7.777932
8.124744
6.788034
5.631870
7.615696
8.941298
5.379421
5.405423
9.084490
6.357601
8.024033
6.532167
7.359340
6.410581
5.536164
7.837382
6.251640
7.222007
7.427946
8.535279
8.579104
5.644322
5.571810
5.809366
5.590976
8.867931
6.606876
5.289697
8.324213
8.363521
6.961745
8.804941
5.761269
7.536225
6.369930
5.781533
8.671270
8.465697
5.751747
8.668218
8.002670
9.106098
5.338893
6.756172
6.707709
8.323115
8.916517
6.775948
5.871014
6.141652
6.056322
6.639836
8.017075
8.579104
6.219047
6.709784
6.473205
8.439451
8.596072
8.962294
7.662328
7.444426
5.570833
8.427610
7.200034
7.074175
7.671606
7.277551
6.671087
5.494781
7.890484
7.935652
7.961776
7.946638
5.246117
7.586886
8.019883
7.967879
5.463042
6.460265
6.921827
6.830027
6.642155
8.260247
8.117786
8.559084
7.800150
9.120380
7.731666
5.917035
8.149770
5.457671
7.791849
6.719916
6.998245
9.098285
# Label of molecule (27)
0.825773
# Number of Instances of molecule (28)
3
10.441706
9.047297
9.658795
10.648057
12.591229
8.881123
11.327864
9.352227
10.515144
8.899011
8.513257
10.056162
9.583447
9.955503
12.500815
10.654384
11.508963
11.071883
11.500082
11.611906
11.861866
9.018385
11.143626
9.486811
9.787957
12.348835
10.460165
10.030473
10.878320
11.809692
12.421886
11.916410
11.960108
11.069290
11.593327
10.861173
9.953042
9.720200
9.077461
11.627644
10.274764
9.964376
12.551100
8.773271
9.122065
12.152767
11.275354
10.007892
11.332764
11.465084
12.706011
8.396788
9.471929
11.797651
9.347792
10.779960
8.253030
12.156576
9.617227
8.477437
10.398215
12.368781
10.804618
8.642753
10.722713
9.144560
10.131107
9.361701
10.056886
10.260346
12.133326
10.095983
9.667879
10.076677
8.155142
8.897969
10.545235
10.935632
8.432747
10.239724
11.917269
9.049823
9.463446
8.951428
9.649076
9.797122
11.909174
8.506375
11.269620
10.217344
11.008896
11.503362
12.150999
9.094151
11.797141
12.108669
11.309891
10.221500
11.390837
11.904110
8.667272
9.138594
8.633479
11.994604
11.165407
9.061846
8.996281
9.533601
11.543467
9.222758
10.828018
11.485783
8.956409
12.737298
9.495744
10.207304
11.829424
11.804523
11.864458
12.860543
9.873881
10.034186
8.988482
10.202223
9.470912
12.235900
10.887695
11.019398
9.472134
10.084072
11.835218
8.312159
10.298377
9.014274
9.423775
12.515911
10.780152
12.438568
10.369434
11.511139
11.391759
10.115057
10.573879
10.553272
8.870789
11.010013
10.020668
8.669589
11.965168
11.561455
10.403208
11.193224
8.654227
12.223162
10.711876
11.332054
10.561485
10.994876
11.769967
8.942984
9.550267
9.251291
11.181489
9.647013
10.591247
9.809564
9.779976
10.408258
10.384582
10.318084
11.135636
9.936526
8.993855
9.404872
8.511058
12.364391
8.473152
9.568323
10.751830
9.966064
10.832113
9.834995
10.554242
10.594681
8.806327
10.786541
8.799561
10.862284
9.509373
12.127695
10.111790
10.990789
8.740181
10.039264
8.606743
6.928491
9.777164
10.997305
7.940931
8.209109
8.911793
8.233026
9.251294
7.864958
9.787629
6.554455
7.663284
8.159629
8.102848
7.693792
7.326377
8.060637
7.054298
7.013740
6.069822
7.237510
10.560899
11.021993
7.259496
7.248184
7.976166
8.542166
6.765587
9.114995
9.269843
9.577605
9.395770
10.226720
7.966384
9.085664
9.752116
10.751493
8.019131
8.700381
6.067991
8.276638
11.443480
8.109077
7.018002
8.691784
5.190099
7.408124
7.839940
7.037891
7.306024
7.680405
10.515749
5.401760
6.329642
8.507062
8.594759
6.792870
10.604034
10.522068
6.788184
10.484997
7.300839
10.832490
7.700560
6.246679
6.188647
7.786972
11.650130
8.982704
6.282558
7.886072
7.531188
7.909929
8.058093
8.144292
6.945047
7.221832
6.708558
9.244255
6.963679
10.484092
7.362474
8.368477
5.847229
5.984966
9.863947
6.847975
10.311389
6.165304
8.000443
6.960494
8.895489
7.713813
8.452361
7.184744
5.302973
5.469115
7.630680
5.722053
6.505402
6.369411
7.205985
4.970199
7.375423
6.941450
8.824442
6.102069
7.690985
6.922163
7.003464
5.979507
5.964614
5.932875
6.989181
6.809000
6.171163
6.085467
8.948592
8.414884
5.749519
5.391110
5.873791
7.003830
7.252373
8.850078
8.571993
6.298120
6.019547
6.095477
5.115345
8.909528
8.250206
6.467437
8.128742
5.830821
7.846995
8.391202
5.286004
7.920362
8.411100
5.934950
6.394681
5.252556
6.758461
5.423582
6.439604
6.211692
8.335170
6.979904
5.963637
6.201437
6.907147
7.872997
8.159017
5.848643
6.897015
6.543977
6.044084
8.572481
8.744850
8.188559
7.102588
5.396237
7.668035
6.767495
8.756447
8.877422
6.193258
8.322962
8.051592
8.028031
6.838298
6.473785
6.928877
6.104144
5.316156
6.966353
8.456267
5.135853
6.638585
8.154012
5.395871
7.076098
8.491668
6.281762
8.483734
7.439634
6.261742
8.450896
7.793527
7.311457
8.083331
6.137959
6.563631
7.595645
6.285302
8.143513
8.857402
7.382504
5.612308
5.845103
8.436247
6.306909
6.592685
5.631230
8.218589
8.775246
8.430143
5.388546
5.698370
5.932386
5.795175
5.919080
5.701422
5.248405
7.888867
6.163350
7.850902
7.595767
6.154439
5.100940
6.120136
5.693609
7.014328
7.208426
7.845286
7.795602
8.003616
6.344386
5.575076
8.493500
5.677740
8.941389
5.130482
6.513947
5.669195
7.375301
7.250664
7.382015
7.267022
8.392300
6.200095
6.826579
8.894147
7.461974
6.711219
8.803812
6.859294
5.938612
6.638707
6.011612
5.757576
5.899548
6.698523
8.772927
8.892682
7.539491
6.669347
6.159200
7.098926
7.994461
5.428465
5.232780
6.337428
6.469756
8.200034
8.280969
8.438444
6.548494
6.387844
5.915784
5.368892
8.554537
5.370602
5.919080
5.398923
6.843913
5.631474
7.701727
7.539003
8.903668
8.599948
6.256371
6.628819
7.126881
8.578829
7.477844
5.447508
8.145955
6.132344
6.724525
8.222983
6.592441
8.310877
8.498260
7.914747
8.163900
7.084887
7.114673
5.644902
8.868877
5.367183
6.242821
6.652989
7.327570
5.994034
5.185659
7.148732
5.001572
5.043077
5.777352
8.438566
7.229057
8.862529
7.774483
8.700781
7.938307
8.185507
6.612217
8.783670
6.917402
8.706153
5.404782
6.401883
6.512604
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8.632176
6.600864
6.396878
6.409085
6.928877
5.301141
8.104328
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7.038499
6.229637
6.476714
8.357265
5.746467
8.902203
8.740944
8.443693
5.960952
5.929212
5.885144
6.281030
6.363918
7.318537
8.854839
7.380306
6.618320
8.237144
5.988052
7.037278
7.003830
5.611698
7.571230
4.990097
7.357967
6.938154
5.384640
6.226096
8.196615
8.677099
5.116321
8.310022
6.889447
7.611637
7.517884
6.829997
8.467132
7.105396
7.310358
5.968520
8.073077
8.342494
7.599429
5.442747
7.049364
6.382229
7.178884
6.237327
8.427458
6.195334
6.480377
6.982589
6.839030
7.299982
8.989853
7.952345
7.499939
7.256157
7.304743
7.647160
9.060533
6.682165
7.247856
7.339167
6.199850
6.171163
8.909162
8.952254
5.835704
7.478942
5.492798
5.652715
8.827250
5.362178
6.844523
6.527863
7.044359
6.438749
8.533052
6.723182
7.680853
5.447386
5.360836
8.416593
6.682531
7.280328
6.180685
8.003616
7.168996
9.164052
8.890851
6.868572
8.722510
7.364193
8.485565
9.116443
7.418027
6.789224
9.034776
7.639958
8.472015
5.865368
8.469451
5.899915
7.381771
7.063158
7.044847
8.788797
5.433592
5.444334
8.360927
5.956435
7.451353
5.609867
7.809519
8.972396
7.664129
7.419370
5.329340
5.697516
7.564150
6.859905
5.337764
9.243889
7.633732
8.438322
8.719581
8.892315
8.813089
7.471496
7.743721
8.349574
5.585696
6.650426
8.785989
6.713294
6.556429
5.252800
5.730476
7.525208
8.395840
5.378536
8.926862
7.283746
7.027268
5.584109
8.575411
8.793435
7.931227
6.290429
5.419065
6.724647
7.441954
5.338984
7.613468
6.760048
6.910321
8.071245
6.652379
5.701300
7.610538
6.306787
7.222465
5.911756
8.262047
6.594760
7.863475
7.470519
9.045518
6.113910
7.306940
7.411924
7.984817
8.595920
5.370602
5.426756
5.571413
6.646519
5.282464
5.398312
7.506531
6.841960
6.308252
8.150227
5.434324
7.971633
5.560549
8.779885
5.543703
8.805277
5.860851
5.952528
8.911115
7.759102
8.532685
8.532807
5.460692
6.834147
7.997757
6.924482
5.418088
6.204123
7.054247
6.498810
6.129170
5.825694
5.707038
6.482208
6.122089
8.448576
6.429838
5.680670
8.287439
8.397061
8.730445
6.414701
8.048418
8.502533
7.896924
6.040056
8.400113
5.557131
6.797525
7.430235
5.690069
6.667272
7.610660
5.793710
8.016923
8.879498
8.359828
7.203421
6.118793
8.456023
7.127735
8.210776
6.632603
8.172811
6.825602
7.921949
7.592471
9.016343
7.391415
5.909192
6.046281
6.653844
6.293847
5.333613
5.665532
7.052049
6.215232
6.653478
6.220359
5.619022
6.789102
7.293512
6.798502
8.245079
7.267998
8.650609
8.640355
6.616245
8.995468
5.809946
5.466674
6.177023
8.557833
5.347285
7.174001
7.116260
6.490875
6.592318
8.770363
8.751442
6.416166
7.727241
6.430692
5.685675
5.481933
8.097369
8.542940
6.115253
6.983322
8.107135
7.621158
8.657933
8.038041
6.076434
8.961776
8.081500
9.191397
5.434324
5.916150
6.305200
6.825602
7.622135
5.656377
7.049974
7.249565
8.083575
7.306818
6.510895
7.342708
6.715125
8.318934
6.430082
8.628513
6.153218
8.962996
5.940931
5.653081
5.271233
6.812174
6.562410
7.543886
5.263298
7.093310
6.715735
# Label of molecule (28)
0.807561
# Number of Instances of molecule (29)
3
10.443192
9.114139
9.711613
10.520948
12.487919
8.974764
11.208320
9.135075
10.281218
8.884455
8.565359
9.872789
9.517781
9.745100
12.529678
10.487159
11.629222
11.199372
11.773234
11.707378
11.792826
8.930428
11.043360
9.691558
9.747187
12.218056
10.610119
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10.845856
11.691932
12.343142
12.130869
11.939197
11.081724
11.446759
10.903399
10.033076
9.933901
9.368725
11.586187
9.782659
10.369368
12.744639
8.940774
9.034566
12.365392
11.136768
9.799180
11.742943
11.832763
12.315562
8.229763
9.820322
11.614219
9.453220
11.087886
8.429927
12.310351
9.341324
8.413809
10.348224
12.362394
10.611365
8.735133
10.480882
9.118906
10.376284
9.185639
10.600572
10.206067
11.962992
10.063848
9.506700
9.602856
8.250930
8.669240
10.447133
11.050344
8.433087
10.163091
11.727291
9.057291
9.611674
8.986772
9.376192
9.610455
12.053675
8.611734
10.853960
9.757212
11.018912
11.469079
12.007408
9.077135
11.895150
12.625192
11.342563
10.306874
11.275592
11.826578
8.944541
9.448278
8.885267
12.159752
11.570116
9.386964
8.900998
9.317579
11.806495
9.339446
10.510540
11.372175
9.071285
12.338443
9.419081
9.878921
11.855045
12.211573
12.092405
12.356308
10.021027
10.110320
8.613443
9.918392
9.267844
12.499427
11.156883
10.696928
9.008376
9.917400
11.872589
8.469685
10.270648
8.853318
9.208568
12.352098
11.131631
12.849241
10.475564
12.022028
11.447581
9.907410
10.017558
10.703657
8.610264
10.678447
10.020263
8.670625
11.586298
11.194533
10.459773
11.357798
8.757132
12.394725
10.663182
11.672304
10.947348
10.964680
11.638426
8.779122
9.602309
9.183936
11.351505
9.336189
10.681068
9.815987
9.403142
10.101060
10.575815
10.410475
10.563668
10.101014
8.744921
9.298218
8.306623
12.225397
8.592111
10.048592
10.959989
9.813817
10.910928
10.019207
10.592317
10.285912
9.057785
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5.618274
# Label of molecule (29)
0.809217
# Number of Instances of molecule (30)
5
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8.654912
# Label of molecule (30)
0.567630
# Number of Instances of molecule (31)
3
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5.455123
7.281472
# Label of molecule (31)
0.574049
# Number of Instances of molecule (32)
3
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4.816431
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6.461989
4.760521
5.726005
8.387341
7.872677
5.776299
8.459243
8.636494
7.352031
8.660176
5.637135
7.129734
5.535325
5.301065
6.203558
8.185308
5.514939
6.341502
5.058992
7.472396
6.189032
7.480819
8.467910
6.702719
7.821894
6.771569
5.615406
6.500443
7.189795
6.783898
6.686850
6.328318
5.687918
5.510178
5.845515
6.341624
7.773797
5.889096
5.484542
8.048952
5.119907
7.820063
8.126225
8.650533
7.854732
8.545305
8.345836
5.932798
6.262520
7.275491
7.093112
8.592669
8.320444
7.930174
4.787866
4.864284
8.445692
7.872555
7.563341
8.329478
4.829493
6.509964
7.033174
5.778008
8.731223
5.637867
7.957152
6.002380
7.108737
7.399396
8.180059
6.393139
5.959655
5.738456
5.219275
8.217170
7.749260
5.219886
5.875423
5.447920
6.297555
7.090793
5.241615
6.027894
8.504288
8.460097
7.486557
6.433912
6.283395
# Label of molecule (32)
0.596037
# Number of Instances of molecule (33)
4
10.408331
9.122138
9.754980
10.757730
12.551013
9.048326
11.333060
9.204402
10.373829
8.908726
8.663658
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10.013321
12.488637
10.359518
11.248383
10.982637
11.720323
11.485341
11.762578
8.592035
11.151248
9.524788
9.687648
12.572211
10.247761
10.230224
11.129683
11.963596
12.184179
11.745407
12.305700
11.292664
11.461804
11.072759
10.213207
9.605783
8.917624
12.129180
9.872073
10.071874
12.822282
8.941496
8.847868
12.283260
11.685239
10.270932
11.532797
11.332079
12.207359
8.396804
9.790660
11.506694
9.034020
10.880683
8.565363
12.411188
9.539134
8.412499
9.914130
12.436828
10.532792
8.456811
10.945541
9.548479
10.504374
9.070191
10.184590
9.884336
12.083923
10.354493
9.526845
9.989099
8.319019
8.856942
10.765819
11.079890
8.826162
9.907242
11.729612
9.206165
9.564242
9.049460
9.663896
6.913231
8.836900
5.940226
9.441163
9.545368
7.904489
8.719888
11.383278
8.190232
11.875993
9.045704
9.366697
10.073964
11.174272
11.664634
8.714474
9.092136
5.994572
9.671891
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6.639135
6.970640
9.101243
11.666569
6.862393
10.002969
11.328413
6.632493
11.288538
8.948225
7.565088
9.440326
9.669980
10.207346
12.130107
7.725825
8.550797
8.365048
7.679009
6.368178
12.106745
9.903081
7.915775
6.846645
8.986580
11.702443
5.785286
9.752792
7.637550
7.879477
9.248650
9.455744
12.937723
7.207407
9.299837
11.767171
9.252988
8.258457
10.829404
7.322238
11.127069
8.917396
7.143758
11.378693
9.639366
7.924246
8.060889
8.168644
11.617043
8.788380
8.495437
10.573473
11.242616
11.477856
7.375535
6.638685
7.525382
9.776577
7.791042
8.758351
8.268817
7.455841
9.860099
8.134795
8.024518
9.855804
10.289887
7.388685
7.565803
8.518883
11.131715
6.304162
7.826218
10.003605
8.423198
9.695570
10.008401
7.913007
8.290865
6.669433
8.478446
7.508118
9.231565
6.551286
11.108033
11.221922
10.164710
9.282539
8.174790
8.888005
7.967408
8.445330
9.241533
6.851327
6.206308
7.773960
6.620744
7.057972
8.870297
10.554022
7.601733
6.972654
7.938258
7.182187
8.771068
7.782465
6.846050
7.226154
7.889139
8.339399
8.621935
8.512229
8.522645
8.492194
8.254780
9.416335
8.624140
7.839471
7.421647
8.547750
9.868536
8.922129
11.764465
7.811702
9.216847
8.751989
10.671864
6.212703
6.816219
7.781138
7.402485
9.105019
7.892366
6.901615
8.842713
6.113694
6.539049
8.305570
7.623901
8.984838
5.553197
7.984423
7.557405
8.021073
8.518711
10.196923
6.794069
8.384282
8.077609
7.222817
8.509469
8.185887
10.835528
8.876123
7.515082
6.289030
9.751554
11.730811
9.991107
6.891498
9.636988
6.483161
7.338833
5.766468
8.402017
5.906607
8.472442
5.683315
10.180829
5.623002
8.161489
8.431185
8.225901
6.478019
7.298030
7.172657
8.320669
10.576767
5.513504
9.226997
7.282846
6.944823
5.779870
6.612415
6.742790
8.830012
6.035371
7.380383
6.193579
6.348491
7.752586
5.551103
6.383038
6.654164
9.103824
8.747002
6.270486
7.984649
8.154942
8.678152
7.233772
6.425398
7.302988
7.026978
7.704855
7.508560
8.830622
9.106265
9.111026
6.022431
5.451247
7.664449
7.995636
7.408826
7.724509
9.215888
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6.118381
8.210242
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8.934751
6.304788
8.242347
8.826472
6.756584
8.227821
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6.537095
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5.743004
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6.867794
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6.253029
7.578143
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6.493881
7.729026
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6.821650
7.532121
6.210791
7.321543
6.618152
6.348979
6.045259
6.049165
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7.384411
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7.417615
7.898953
8.650563
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9.158513
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6.443587
6.368267
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8.529588
6.026215
6.911863
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6.306864
8.042024
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5.650594
5.338450
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7.155400
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6.360088
5.522416
7.514542
5.946989
6.811884
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6.363750
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6.977538
8.160192
7.285531
9.002747
8.629322
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7.710105
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6.998169
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5.793420
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6.250221
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8.384075
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6.066134
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7.290414
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7.506973
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6.269509
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6.002289
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8.314371
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8.896542
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6.105441
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6.129856
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6.376202
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8.520676
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6.222999
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6.888791
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5.178411
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8.367229
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6.352153
5.141789
7.524674
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7.882962
5.938688
7.324107
6.146336
9.072939
6.765130
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6.215796
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6.914304
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6.683462
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6.392193
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6.223731
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5.299875
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6.974364
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6.985229
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6.473617
8.532762
7.016602
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7.536393
5.516068
5.249092
5.333201
5.997406
8.585986
5.208075
6.283059
8.157994
6.406110
6.308573
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7.501602
6.884762
5.259590
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7.844752
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8.553758
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6.509873
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7.417615
9.061663
8.528077
7.226157
7.758156
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8.292718
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6.974563
7.240562
7.008499
6.407285
6.148976
9.009903
7.689673
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8.803720
5.252342
7.877300
7.679296
8.499390
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8.230216
6.163381
6.672308
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7.202597
8.609256
5.495270
5.137104
5.181906
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6.136402
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7.463713
8.880993
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5.435453
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8.050645
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6.089404
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5.470611
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5.066546
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6.219291
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7.233360
8.678838
7.576022
5.204733
6.489807
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6.341975
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5.878948
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7.658177
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7.215537
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7.411344
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7.976669
6.051073
5.375027
6.317682
6.590762
6.758980
8.847545
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5.750160
6.533509
7.068072
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8.677984
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7.384365
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6.271661
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8.209342
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5.201315
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8.012925
6.979324
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7.116413
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8.701300
5.830241
6.137379
7.669286
5.834758
6.954665
5.843181
8.429197
6.791940
8.021104
8.766488
5.450468
6.547426
6.374935
7.566378
7.214805
5.299341
7.822367
7.376064
7.618259
5.921430
7.216514
7.079302
5.398953
6.782907
8.068834
6.142140
9.026017
5.810709
7.558443
7.874126
8.422239
5.668371
7.314783
7.993881
8.900403
7.927961
8.348750
7.375576
8.683477
6.107837
6.507141
5.848186
7.386929
5.454253
6.825877
7.926374
6.836863
7.338710
5.156392
5.344264
7.597995
6.148244
7.440764
7.270837
6.589175
8.543092
7.009232
7.077837
7.158773
6.955519
6.278253
8.539552
6.996170
5.207297
7.219810
8.335444
7.254479
8.118274
8.980117
5.733680
8.259392
8.981826
9.021989
8.328974
7.177694
6.784005
6.165212
8.709601
7.023515
7.039018
5.900800
8.929945
8.374264
6.116016
6.352962
7.662572
5.172750
8.934706
5.265038
6.904004
7.991073
7.901715
6.384213
5.111957
8.128407
8.965590
5.618564
5.645299
5.922285
8.662358
7.343837
7.385342
8.644414
8.029649
7.232383
6.410581
5.356838
7.262413
7.981918
7.602268
8.105945
6.985549
8.316156
7.053789
6.824900
8.019395
7.635838
8.159780
7.324793
7.511689
6.690741
8.260491
7.744484
7.312342
6.652532
6.715522
6.837352
8.465331
6.959548
7.282067
7.469085
7.692114
8.310175
5.673132
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5.742714
5.180563
7.170370
5.833781
7.489959
6.239677
5.166280
7.790017
7.638157
7.038408
5.511750
7.202841
5.927290
5.346828
7.542817
8.594974
5.702551
# Label of molecule (33)
0.558648
# Number of Instances of molecule (34)
4
10.461327
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# Label of molecule (34)
0.560194
# Number of Instances of molecule (35)
3
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7.341609
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6.185324
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6.397122
8.716163
# Label of molecule (35)
0.570862
# Number of Instances of molecule (36)
4
10.492964
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# Label of molecule (36)
0.614509
# Number of Instances of molecule (37)
3
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6.673650
5.862224
4.867077
8.454466
5.448881
7.565279
# Label of molecule (37)
0.572177
# Number of Instances of molecule (38)
5
10.620054
9.044087
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7.859813
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6.102756
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6.520127
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5.047304
6.927366
6.630970
5.557817
8.701468
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6.410627
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8.060701
5.598346
6.129002
8.703909
6.448836
5.823450
8.321207
# Label of molecule (38)
0.556414
# Number of Instances of molecule (39)
4
10.430799
9.050673
9.477323
10.706879
12.364040
9.014751
11.479877
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8.515107
7.541688
5.821421
7.568667
9.071032
5.662969
7.542299
6.740150
8.775491
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7.243339
6.055681
5.946791
6.002701
5.280999
8.232871
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8.359951
6.900922
5.495361
7.532411
7.260186
7.817820
8.999252
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7.498962
8.692846
8.187094
7.798532
6.161153
6.885784
8.948103
7.958693
6.136372
7.854808
5.457152
8.893170
6.001114
8.579440
6.569369
8.337489
6.143574
7.382382
7.643376
5.438353
9.004990
8.525361
8.669652
9.002304
5.313471
7.951857
5.578860
6.327418
8.185751
8.555147
7.604923
7.999466
6.969527
7.342830
7.576968
6.021012
6.704749
6.876629
6.016617
8.654027
9.075671
5.359493
7.915113
5.345210
8.730689
5.746223
9.064684
9.116565
8.844951
5.460234
5.471709
8.313471
7.835917
5.083270
6.522523
6.316584
5.623203
4.965835
6.343196
6.600650
7.885235
7.651097
6.302911
8.614017
7.056230
7.236290
6.364803
7.713599
6.009445
7.401700
5.476836
7.941145
7.770852
8.525147
8.328364
8.820566
5.788614
7.257408
6.349788
8.555055
5.631748
5.934736
6.829539
7.997543
6.993728
7.200522
6.022752
5.768838
8.874889
7.213950
8.127674
8.900403
6.820872
6.819895
6.003220
5.373806
5.090228
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8.626347
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6.886303
6.126637
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6.159719
7.260826
5.099994
6.343196
5.982467
7.178426
5.398587
6.323786
7.299646
5.216941
8.744148
7.477142
8.474609
5.231956
8.828379
5.794107
5.287255
8.713263
5.469268
7.884503
6.038743
5.478301
5.383694
5.478179
5.460967
6.076220
5.452422
5.574984
8.306146
5.276635
8.352535
8.618534
7.490692
8.021348
6.432066
5.067278
7.669042
7.210044
7.701636
6.740547
7.112140
8.698614
7.818216
7.311365
8.765389
8.882336
5.936445
8.324091
5.361476
8.240226
8.301752
5.109760
5.463042
6.215384
5.460479
4.975356
5.309473
8.807016
6.963454
8.040757
5.344264
6.246147
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7.099445
8.296258
8.135731
7.883770
8.878674
5.690222
5.422758
6.135914
5.070940
5.664464
6.585391
8.252190
7.516572
4.964858
5.402127
6.818308
7.907086
5.995651
7.684912
5.975997
8.388668
5.799722
6.346248
7.070513
7.438688
5.842814
8.178945
6.790719
7.390713
5.478301
5.719520
5.676428
7.982650
7.965926
5.575472
6.868358
8.303461
5.920331
6.585635
6.974075
5.513337
7.065264
7.193075
6.927564
8.713263
7.165975
7.404019
8.714972
8.335200
7.017045
8.706671
5.842814
7.434782
8.360469
5.326807
5.423612
7.253624
5.606845
6.194876
5.753578
5.432524
8.238395
4.996597
7.257042
7.247520
6.764351
5.687658
8.673833
8.243156
5.108173
8.841929
6.363460
8.641118
8.297723
6.211966
8.601566
5.896039
8.336299
8.875011
6.742744
5.775430
5.127583
8.339473
7.127766
6.337092
5.331446
7.988388
5.604892
7.180990
8.022446
8.233024
8.546388
6.349055
8.029771
6.752144
6.229789
5.248558
5.831339
5.193503
6.463195
7.974105
6.877880
7.710181
6.326594
7.402066
7.220298
6.707465
5.905560
8.435545
8.318720
5.177389
5.892865
8.769906
5.904706
6.992630
8.931410
7.559542
7.774636
8.536866
6.574282
6.356502
5.385281
7.046098
7.738502
8.697638
6.132618
7.035966
6.523743
6.715400
7.181600
8.190176
5.274804
5.147603
5.728431
8.084094
6.760933
7.119831
6.566347
7.120075
7.346767
8.076403
5.830851
5.048723
5.031388
6.235282
7.800394
8.450438
6.229057
7.941023
5.626133
6.553285
5.166646
8.291131
6.866649
6.762032
7.774270
5.410916
6.702338
7.272912
5.942305
8.752571
# Label of molecule (39)
0.565536
# Number of Instances of molecule (40)
3
10.447159
9.014709
9.512047
10.725004
12.558094
9.074827
11.485552
9.363792
10.430117
8.829475
8.639484
9.816369
9.430953
9.931071
12.361646
10.726964
11.611880
10.921502
11.567724
11.438471
11.490386
8.930309
10.962604
9.879219
9.598588
11.914692
10.595543
9.778974
10.562848
11.959666
12.481336
12.281385
12.124989
11.152174
11.393361
10.911923
9.661699
9.932500
9.169597
11.649991
10.249769
10.279583
12.799615
8.592302
9.254936
12.740952
11.303133
10.055515
11.893991
11.749922
12.189144
8.189026
9.392370
11.480772
9.365286
10.700257
8.584171
12.532995
9.420182
8.489336
9.852775
12.357577
10.916178
8.526456
10.945600
9.026243
10.247867
9.381118
10.310823
9.886132
12.051478
9.964788
9.815978
10.047918
8.509660
8.875676
10.291525
11.448454
8.742916
9.960486
11.415572
9.397853
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7.751634
7.835006
6.643256
10.273292
6.718966
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10.048084
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10.744664
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10.169539
10.690006
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6.965845
8.952010
8.448335
8.194942
11.207988
9.380761
11.433559
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10.011633
9.410990
10.199026
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10.074219
6.395160
7.434300
8.866487
9.953812
9.413355
10.048925
6.544984
7.125076
9.105202
6.766326
7.450439
7.909735
9.073486
12.111539
8.384670
9.194544
8.000770
9.086005
11.825219
10.057439
9.306666
7.715070
5.924993
9.294691
7.306170
7.573718
8.676834
10.464307
8.211679
9.391585
7.077393
12.545255
10.161024
8.709462
8.018772
10.142275
10.895377
8.514704
8.816438
7.493522
11.315526
9.142196
9.332651
8.751845
9.201722
8.298406
10.079510
10.235410
10.497399
7.440830
8.637523
8.604585
8.427256
11.574735
7.578022
8.460655
9.295007
9.353064
10.332295
9.179535
7.938143
8.998783
7.749930
7.723891
6.261213
10.655421
8.907490
11.851102
9.549876
10.788024
10.315420
10.577707
7.642045
6.735985
10.638171
9.527272
9.292204
8.475909
10.737472
6.930364
8.256704
9.292462
11.112325
7.649319
6.782869
5.640576
7.155000
6.665929
8.071370
6.912114
6.323705
8.744095
8.025881
8.663181
9.915915
7.778502
7.624334
8.059441
9.963650
8.973300
7.311452
8.182735
7.309970
8.423591
10.547126
11.148441
7.584172
11.066050
10.835717
8.544133
7.837049
6.853900
7.289293
6.354986
8.006022
9.150539
5.111887
7.847287
7.930367
6.728852
8.797725
8.171775
7.517919
6.048185
10.438505
6.941890
5.843988
7.497758
7.695617
8.040956
9.853196
9.322183
8.024109
10.166194
6.476108
9.696522
8.478157
6.802899
6.805201
8.651694
8.402587
8.092494
5.745448
8.468912
8.229839
8.814696
6.771138
5.600849
6.889469
5.904855
6.596624
10.081171
7.153149
9.044164
8.943682
7.250511
6.041463
8.327267
8.097881
7.215360
8.732657
7.280862
8.708762
8.786889
5.833308
7.269509
6.514115
7.263283
8.331431
6.470779
8.882595
7.604602
7.301737
6.807215
5.556200
7.155370
6.840785
5.554369
7.099216
8.823023
8.351329
5.447188
6.591021
8.851833
8.043580
7.588733
7.029511
7.087374
6.085391
6.039491
7.821406
5.609058
7.775750
8.962432
5.732231
7.605090
7.116306
5.195105
7.673940
6.362987
5.156529
5.129795
6.701376
8.254891
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6.412671
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7.761711
5.841487
7.453230
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5.735893
6.877773
7.196753
5.307047
7.262307
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6.011048
5.844417
6.359203
5.969787
6.288888
5.592334
6.064638
6.640217
7.092746
7.647328
8.726951
5.665944
6.410352
7.149144
8.568133
6.328928
6.120914
7.858882
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5.919614
9.047273
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8.345347
8.693747
7.468978
7.961669
6.500198
5.257851
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7.571398
5.314005
7.261452
7.507797
8.422498
8.659688
8.265999
7.540513
7.522446
8.409558
7.671743
7.152806
8.301279
7.414777
8.571551
6.989227
6.134953
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6.411328
5.910337
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6.642048
7.329081
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8.337046
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5.425459
5.674734
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8.420545
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7.603870
7.780023
6.083193
6.844569
8.933500
7.751946
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7.363140
5.175451
5.521653
5.370769
5.741020
6.534257
5.741630
8.393078
6.466262
6.921110
7.419538
8.019532
5.319620
5.215735
5.642506
5.796686
6.156926
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6.758629
5.968810
5.855281
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5.690847
9.001373
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6.666707
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5.930601
7.652333
8.781518
6.130436
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8.472182
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8.343883
6.009461
6.574175
5.971007
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7.078951
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9.094028
5.701834
7.781854
7.328227
5.849544
8.497452
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8.030030
6.536576
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6.679769
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6.425489
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6.065126
8.322886
6.736778
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9.037141
5.770806
7.530381
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5.621021
5.545579
6.928312
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5.639943
8.767113
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7.166112
7.249733
5.496628
8.097903
7.466903
6.895962
8.745872
7.521592
6.734458
8.482192
6.904996
5.073153
6.992767
6.514237
5.379192
5.494797
6.747765
8.469985
6.021790
7.372539
8.214362
8.689840
6.621418
7.556017
6.283517
8.168462
7.320292
8.913724
5.109165
8.618549
8.836085
6.799402
6.184515
7.182836
5.363323
7.604480
5.787408
8.170171
9.031037
6.770470
5.667653
6.189886
8.787500
7.639149
6.850673
9.059481
8.592547
8.511856
6.434156
6.860439
7.787103
7.295755
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7.110813
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6.321482
6.495804
8.597430
7.075777
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7.990234
7.091159
7.245827
5.700369
5.408612
5.435469
8.006348
7.705679
8.345225
8.326914
6.883511
8.525163
7.322245
8.029298
8.037477
6.772546
5.878597
7.150853
5.188757
6.901456
7.680288
6.976165
6.007385
8.766503
9.029328
8.226814
7.336528
6.302438
5.146764
5.127354
8.627216
7.196753
8.604389
7.651479
8.959990
7.426740
8.277963
8.821802
7.026582
8.541398
7.201758
7.939573
5.447798
7.558702
7.693838
6.620197
6.802332
7.356059
6.131535
8.507096
6.741173
5.427290
5.750053
7.540391
7.563952
8.883084
5.838435
7.656484
5.629933
5.566088
7.710440
6.790857
7.981323
7.161473
7.822993
8.061037
7.550523
6.171819
6.418165
7.005219
8.330943
6.636067
6.063906
5.748711
5.881527
6.464309
8.467910
6.977020
6.543291
7.266457
7.939817
6.586871
6.741783
5.545701
5.877377
5.893612
7.749748
5.136998
8.650899
6.266793
7.286599
8.760033
5.260048
7.071139
7.328715
8.566179
7.141331
5.787530
7.504868
5.551927
6.496292
5.188025
7.453475
5.715140
7.520615
6.440992
7.515610
6.826991
6.905118
9.020539
7.138401
7.698233
5.985656
8.295785
6.365307
5.810358
6.916715
7.675527
5.786309
7.191504
7.242897
8.181524
6.324656
6.406568
5.243934
8.326792
8.234748
8.542497
6.429395
5.173742
6.685141
7.058321
7.554308
5.447554
7.303323
5.379315
8.535783
5.577929
7.056124
8.106815
8.641499
# Label of molecule (40)
0.572179
# Number of Instances of molecule (41)
3
10.650977
8.995755
9.525815
10.637795
12.336878
8.979068
11.244745
9.134180
10.531396
8.701553
8.679583
9.977398
9.437822
9.966345
12.535247
10.391154
11.421650
11.311210
11.360824
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6.818278
# Label of molecule (41)
0.553223
# Number of Instances of molecule (42)
4
10.609361
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6.214988
# Label of molecule (42)
0.567245
# Number of Instances of molecule (43)
4
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6.320460
# Label of molecule (43)
0.610079
# Number of Instances of molecule (44)
3
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8.668172
8.561357
8.584674
# Label of molecule (44)
0.606556
# Number of Instances of molecule (45)
5
10.444022
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5.137638
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8.991272
8.768731
# Label of molecule (45)
0.590430
# Number of Instances of molecule (46)
4
10.497954
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8.255257
# Label of molecule (46)
0.602982
# Number of Instances of molecule (47)
4
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5.247063
7.172048
7.645695
8.387783
9.058580
5.313105
6.928266
5.729377
7.334895
5.944594
6.094378
6.709632
8.297815
6.796793
5.372677
8.575533
8.679052
6.256615
7.263237
6.749794
6.209128
8.787332
6.504791
7.621647
7.033982
5.682745
7.661199
7.610538
8.937727
6.535188
6.198141
8.879009
7.243828
6.786660
6.929243
8.067949
8.272546
6.742225
7.701483
8.430998
5.226310
7.419248
6.200461
7.742744
5.381100
6.607334
5.746712
8.354335
7.457213
8.514496
5.958876
5.773202
6.043718
6.373928
6.159688
6.141255
5.954726
7.386898
7.398984
8.986435
7.387875
7.376766
8.968612
5.621708
8.764138
8.528291
5.284783
5.570070
8.122272
7.588809
7.013352
5.384762
5.941786
7.904492
8.310144
8.245201
6.271874
6.668004
8.055742
8.700537
7.039598
6.752235
6.956587
6.936689
8.412198
8.504364
8.388150
6.942061
6.089618
6.876507
8.854595
6.946333
6.402493
5.266594
5.942763
8.507782
6.088153
7.446593
5.641118
8.624119
5.622196
6.949263
8.902081
5.242180
6.980270
7.293634
7.320490
8.540376
8.703467
8.419156
7.806467
8.359218
9.144154
8.707251
8.122639
6.157125
6.766152
5.962783
7.165334
5.862682
8.375210
6.732337
7.862987
8.001175
6.152852
7.332942
8.565401
5.469237
6.371242
7.966384
8.801981
5.334101
6.662145
7.295465
5.280389
7.029588
8.715918
6.855388
8.004227
5.326167
7.283990
8.676366
8.380825
8.450652
6.363308
7.491760
5.197867
7.726753
7.433164
8.908429
8.342128
9.117176
8.623020
6.910810
6.133930
7.036546
7.684515
8.078448
8.155721
6.814127
7.643620
7.887524
5.445799
8.179891
6.006729
6.473907
7.936964
8.148274
6.397488
5.233146
9.008774
7.676336
5.496948
7.629704
9.035508
8.469695
6.165059
5.593142
7.798776
8.312342
5.615238
6.875286
5.643925
5.294183
5.519532
8.742775
7.252617
7.313288
8.918683
5.381222
7.907910
5.224967
6.810587
6.384671
8.126667
6.015763
7.295587
5.706427
8.534516
8.374722
6.149190
6.445708
6.856609
9.038804
7.700995
8.845073
8.902570
6.286645
6.892254
6.873699
7.416562
8.955916
5.389523
8.772683
8.671606
5.357662
8.626438
6.934248
8.678930
8.467254
8.650853
8.494232
6.891400
7.759468
7.652409
8.007889
7.273003
8.071245
7.043382
5.589724
6.610996
5.859996
8.970321
7.886547
7.945143
7.236747
7.129322
7.262505
6.988571
6.146626
5.762581
8.570772
# Label of molecule (47)
0.614908
# Number of Instances of molecule (48)
3
10.534494
9.038470
9.644891
10.665988
12.569207
9.103061
11.398537
9.287836
10.516066
8.732038
8.566638
9.837308
9.503298
9.866824
12.383178
10.636462
11.747229
11.301696
11.239163
11.703301
11.618575
8.669950
10.736538
9.772097
10.020024
12.406971
10.562596
10.007756
11.170181
11.333021
12.066582
12.158126
11.712929
11.410325
11.244853
10.930477
10.073068
9.685987
9.271578
11.834822
10.200662
10.386378
12.838436
8.656518
9.343865
12.612308
11.363043
9.815379
11.730671
11.267279
12.064465
8.453910
9.489723
11.587761
9.245767
10.823144
8.227467
12.749662
9.349711
8.732217
9.851357
12.180212
10.696669
8.580458
10.929147
9.441898
10.541687
9.416234
10.266663
10.234956
12.036627
9.959291
9.670314
9.743568
8.505197
9.190000
10.718877
11.136850
8.860172
9.938497
11.842791
9.266395
9.729125
8.948021
9.363438
9.598402
12.181626
8.488159
10.873006
8.927818
8.865662
10.501833
12.708938
7.643770
11.383046
9.451058
9.331871
9.988509
9.942660
10.366745
8.902552
7.187186
7.113133
10.497633
10.860177
7.027516
7.353660
7.477122
8.562873
8.225042
8.310750
9.496184
8.956269
10.013670
8.489786
8.376388
9.288130
11.280477
11.721193
9.688160
9.650198
10.326028
8.371251
8.391503
6.941693
11.887778
9.048709
8.563541
9.474132
7.248966
11.286514
8.800567
9.687544
7.905309
6.565612
10.045669
9.306184
9.149875
8.557801
10.771967
10.576964
9.287139
9.112742
10.182190
6.808742
10.170788
9.582296
9.003270
9.748627
11.688242
7.339914
9.904756
6.296835
10.803966
9.406585
9.039347
9.574486
10.381528
9.663827
7.038425
8.444175
6.643839
8.414593
7.981882
8.123769
9.907043
6.974994
9.484287
7.969063
7.525391
8.624236
9.796280
7.299742
7.178470
5.647315
9.824379
8.959765
7.357246
7.953043
7.232592
7.910096
6.845345
9.104391
7.527790
6.245866
9.829562
9.244105
9.851661
9.082113
9.446055
12.051859
10.884478
12.449779
10.065484
9.877447
7.647563
8.473439
9.286584
9.599094
7.283084
9.766477
8.260296
6.893844
9.005018
10.949345
6.256970
7.896283
5.595681
9.427180
9.311305
8.555696
9.121931
8.639158
9.988978
7.892455
7.040732
10.198391
10.301774
9.883051
7.157863
7.976747
9.172756
5.997886
9.256816
7.561905
10.733121
11.768957
11.789871
6.167311
7.673853
11.737823
7.521750
7.489016
8.444773
7.111301
5.990948
11.514299
8.303447
6.186242
6.540215
7.850611
7.303282
7.189517
8.893250
7.270636
6.576378
11.255054
6.420058
5.562606
7.931068
8.298208
5.335172
8.673151
11.187728
8.107328
7.666082
7.807099
9.584225
10.254455
5.598800
8.276239
8.364497
9.131193
7.465138
6.393107
8.770546
7.123390
9.271696
7.671968
8.563666
5.384054
8.226180
7.279894
10.794614
7.131159
8.279834
10.081480
7.902121
7.404939
8.315806
9.033253
7.137064
7.218619
8.179464
7.912488
5.269463
9.036424
8.582430
5.893750
8.386135
7.051012
5.644108
8.202170
8.065691
7.918104
8.295434
6.667455
7.440428
8.215964
7.251579
7.286493
6.576510
8.574129
5.699896
5.355647
5.360042
8.521760
9.103442
8.380398
5.688299
5.547426
5.997147
5.129200
7.839732
7.746101
5.652287
5.215506
5.899976
7.425169
8.481475
7.574099
5.116260
9.047655
7.061510
6.212973
6.057695
6.885846
5.649480
7.613773
6.453703
5.761544
8.064104
8.154317
5.589175
8.246239
5.810495
5.930982
6.127155
5.697577
8.322169
7.353877
6.238121
8.507965
7.194693
6.889874
8.907392
8.936445
8.286645
8.330592
5.298395
7.904675
7.563112
5.957228
7.045030
7.126331
8.556185
5.979934
8.348659
5.948927
5.316950
6.624973
8.755287
8.280786
8.736732
5.245659
5.486511
6.979110
8.107318
6.831767
6.201743
7.074450
5.801218
6.291833
7.062975
7.205679
8.943403
6.884869
6.981429
8.640782
7.948500
7.174551
6.916974
7.258904
5.803049
6.882183
9.108936
5.868358
7.962783
8.013688
9.109668
6.235313
8.742347
5.633732
7.500122
6.198325
8.073138
8.665197
6.158162
5.244560
6.503143
9.084399
7.957656
7.920789
8.313013
7.892712
8.771401
8.456328
8.624912
8.234519
8.654698
5.971511
6.379116
8.039323
7.082995
5.647160
7.051988
6.562716
5.119190
7.229850
8.991501
5.199759
7.386227
8.247948
5.244438
8.947920
6.718604
7.314203
6.752052
8.892132
8.368923
6.889264
6.786477
8.090228
8.644078
8.880047
8.504913
7.229484
8.846721
6.450163
7.496338
8.433622
7.394894
5.416074
7.194815
5.591983
6.998276
6.603732
7.035508
7.587893
7.762703
6.541597
5.227103
6.799173
7.099719
7.864513
8.018082
7.249748
5.316095
8.803140
7.327265
8.781167
5.758126
7.134877
6.620090
5.625431
8.385037
7.970962
8.899457
7.750496
5.647160
6.752785
6.689306
7.352535
7.544801
8.836711
7.886731
6.874615
8.740272
9.037767
5.353938
6.921247
8.600864
8.509919
8.129902
6.447600
9.045701
8.338160
6.132282
5.596988
9.072924
5.214652
6.227378
7.561525
8.840861
8.578158
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5.841746
6.179403
8.586825
5.894116
5.278863
6.406339
6.304407
7.210929
7.236320
8.322169
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7.821055
7.304071
7.260979
7.233146
5.483093
7.901990
6.070025
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7.034654
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7.265374
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5.761299
8.013077
7.232658
5.420591
5.942701
8.705115
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5.930128
8.238914
6.672460
6.387417
6.849345
6.773537
8.243797
5.481994
6.114948
5.151173
8.309351
7.194082
5.743110
8.035295
6.533296
5.560121
7.880627
6.092364
8.589999
6.519501
6.319056
6.179525
6.797586
6.300012
6.843242
8.648473
8.526276
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6.989608
7.241081
6.438200
8.492340
5.382138
7.057726
9.156056
8.686316
8.271142
7.258782
6.274499
7.800180
7.904675
5.598819
6.290979
5.573183
7.348140
8.461821
6.345180
5.525086
7.407468
6.755470
8.920820
6.581271
7.950453
9.234794
6.381436
8.813761
8.002091
6.130573
8.719031
9.175466
6.988632
5.957595
7.886120
9.101245
7.504273
6.377407
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5.850902
5.976638
5.990677
5.429136
5.470397
7.606326
5.934156
6.221885
9.243583
7.953383
8.158223
7.446043
7.512207
5.548891
7.257683
8.621128
8.738441
7.904065
6.733497
6.533418
5.683294
7.292840
8.558504
6.171346
6.579196
8.683142
6.922712
7.246330
9.167287
6.191122
7.034654
5.674749
5.478576
6.435026
7.849864
7.395627
7.232536
7.160634
5.606632
5.899609
7.726325
5.517029
9.040330
8.843913
6.092608
8.354274
7.151479
9.127491
5.799265
6.920515
8.405911
5.803171
9.265435
8.332301
8.236961
6.200034
8.470855
6.192953
7.729255
6.631565
5.431822
6.734840
8.356227
7.065661
6.419889
8.860027
5.647649
9.129810
7.796396
6.453459
6.662084
8.826945
9.340876
7.346919
6.138020
9.338313
8.945479
9.303156
6.201376
9.286554
6.552217
7.401120
6.500946
7.834483
7.207266
9.193655
5.649480
5.995315
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5.528871
8.511139
6.802347
6.544404
8.798257
7.400266
6.840190
7.070910
8.962813
7.746956
5.745430
8.021500
5.881542
6.281213
7.125477
5.357112
9.104175
5.623966
6.249840
9.047288
7.319941
7.660283
6.122150
8.142720
5.645695
9.031419
8.325220
6.154500
6.122761
6.619114
9.014573
5.612369
8.800821
6.896344
8.435820
6.676489
8.781655
7.020493
8.339991
6.680883
6.600558
5.544008
5.672308
5.480529
7.316889
6.617161
8.910443
7.477538
5.691229
7.557375
5.424009
9.203543
8.824381
5.661443
6.235069
7.330073
5.630436
6.135334
8.550203
7.985488
6.522797
7.014634
6.441496
8.249535
6.684301
6.953597
6.051958
6.704443
8.300073
7.755989
7.697760
5.914258
7.124378
5.522889
7.244865
7.710334
6.760475
6.292688
7.134388
8.154805
6.024369
8.048967
5.430113
9.059984
6.771462
8.969039
9.266289
8.937300
7.557375
7.791513
9.066698
6.250694
6.510712
8.175192
7.914319
5.849193
6.792093
8.924238
6.442839
5.455382
8.012589
7.957533
5.627506
9.082568
8.990280
5.893262
7.848888
8.256737
9.215506
9.127491
6.604953
5.918775
6.403531
6.277551
9.247856
7.881115
5.507996
5.870800
7.117054
8.713294
8.569979
9.147511
5.448057
8.933515
8.777139
5.857494
7.428220
6.379116
6.111042
6.924299
8.775674
6.631687
7.953627
5.850414
9.218436
7.372188
8.029191
6.740333
9.244926
5.540590
7.059557
6.815409
6.504730
6.175130
8.503204
7.296991
8.231223
5.806589
8.755776
8.530183
6.063799
9.282037
7.186636
# Label of molecule (48)
0.589593
# Number of Instances of molecule (49)
4
10.510819
8.996313
9.756297
10.499056
12.459565
8.889355
11.241897
9.283840
10.415114
8.782529
8.574905
10.003783
9.609317
10.020503
12.846583
10.634073
11.451128
11.114082
11.398963
11.317696
11.817075
9.054905
11.154454
9.509857
9.687115
11.947573
10.580810
9.843900
10.877778
11.387939
12.542370
11.938820
11.937714
10.863685
11.353659
10.901337
9.629359
9.537855
9.302923
11.822460
10.309478
10.295889
12.819506
8.603483
9.066879
12.376569
11.448104
9.841915
11.640673
11.272007
12.259309
8.485648
9.589227
11.539447
9.321907
10.704497
8.227233
12.442612
9.473441
8.692689
10.325233
12.285615
10.751831
8.568996
10.799309
9.546317
10.626914
9.095599
10.535842
10.134086
11.802594
10.154492
9.660906
10.077141
8.236570
8.819926
10.534922
10.971412
8.896427
9.994169
11.606235
9.172387
9.575976
9.251912
9.636884
9.776210
12.104283
8.172531
11.384385
10.036734
11.089959
8.288384
11.615218
7.293079
11.445719
12.075090
8.971615
7.682165
8.253230
11.731830
7.617629
8.267835
8.607928
9.581086
8.632852
8.534535
6.191951
7.560877
8.964892
8.787057
9.483951
8.242835
8.859856
10.697253
6.518954
7.433275
9.664952
11.764992
9.908523
12.283927
8.526412
8.490359
8.984330
7.759101
7.270150
9.466245
8.431451
7.676974
6.873655
7.536178
9.835853
5.965408
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7.347133
7.303430
# Label of molecule (49)
0.593461
# Number of Instances of molecule (50)
4
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