# Number of Dimensions
166
# Number of Examples
92
# Number of Instances of molecule (0)
5
10.597260
9.096312
9.686261
10.688970
12.522619
9.078566
11.433348
9.321319
10.512459
8.869815
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10.045784
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10.692763
11.714979
11.185854
11.721481
11.779595
11.969246
8.990650
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12.387561
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11.310346
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10.899211
10.044023
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10.373744
12.662689
8.877537
9.260089
12.570709
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11.779053
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10.994964
8.817392
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5.086810
8.016465
5.600986
5.501129
6.390561
6.538514
7.272668
6.054003
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8.153676
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6.751289
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6.429136
5.667638
7.692602
6.825144
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5.610508
5.892621
5.218284
5.861126
6.538759
9.045549
7.074419
5.506745
8.394040
6.279717
6.650090
8.678228
8.020371
8.651616
8.626347
8.045396
5.570223
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5.752846
6.173879
5.595004
8.083972
5.186911
7.552095
8.222892
8.283929
5.853069
8.172475
5.796304
6.282159
5.202902
5.542512
6.347102
7.057939
7.747780
6.001389
7.280358
6.795236
5.739296
8.215079
8.646611
6.671819
8.375484
7.726417
5.372463
5.389798
5.901776
5.435575
7.830180
8.323847
8.989273
8.884899
6.114551
5.160543
5.758339
5.222068
7.409391
5.907025
8.827891
6.720893
5.811563
7.139241
6.761299
7.728614
5.994430
6.369076
8.287469
5.919599
8.078722
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5.668981
6.729438
7.091876
5.570833
5.594272
7.841411
6.387509
7.687719
5.968184
6.604678
6.400815
7.646092
6.975784
7.256188
8.114246
6.490173
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6.822947
8.610477
7.861187
6.332575
8.578005
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5.684362
5.357814
5.927046
5.696203
6.973830
6.410825
5.599277
7.624119
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8.858531
9.017960
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5.093158
5.473663
8.725471
7.099811
5.770791
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6.327082
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8.113025
5.457793
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7.183309
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6.844920
5.766152
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6.540468
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6.953566
7.879131
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8.594241
5.374416
7.960555
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6.256157
7.804422
8.779305
6.820872
5.552889
9.099994
7.390591
8.560793
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8.211783
8.854991
5.798135
5.903363
7.251305
5.390652
7.977523
9.146382
9.144063
7.875591
8.541749
8.626347
7.865093
8.152089
7.847880
5.675817
7.999619
6.773629
8.682134
6.244316
5.440703
5.416166
8.375973
7.868267
8.393551
8.500366
6.914869
5.789468
5.557527
7.400479
8.914930
6.597842
6.365535
6.613468
7.340663
7.771584
8.150014
9.264916
6.840892
7.490814
7.115558
5.324610
6.575747
7.100543
7.991562
7.909650
8.412229
6.596255
9.237327
9.046525
6.360530
7.508026
6.679510
8.271111
7.128986
7.558565
8.452757
5.438627
5.669591
5.469146
8.119739
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8.289422
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8.320795
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7.231651
5.935713
9.292627
8.942030
5.800943
5.523225
7.037797
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5.315332
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6.009323
5.419584
7.580294
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6.101367
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6.339045
8.427244
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7.367519
7.507904
5.727088
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6.136647
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7.351604
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6.704611
7.893368
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8.372753
6.110599
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5.633534
7.903256
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5.196020
7.477828
7.143468
6.881497
8.062563
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7.735649
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6.874416
5.502548
8.813196
6.138432
5.939451
6.723533
8.161321
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6.966216
5.958373
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6.205695
6.795190
7.981750
6.762841
6.068239
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6.356334
5.691885
5.340556
9.064425
5.241554
5.974242
6.133183
8.282785
7.256020
8.134831
8.194525
7.292276
6.269662
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8.144841
8.956389
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5.217750
8.974822
7.236976
7.182531
5.846553
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7.997375
8.202948
8.779992
7.452193
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6.197882
7.037629
8.422559
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5.985595
8.139348
6.025269
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8.998260
8.995941
5.256935
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7.646290
6.354625
7.609302
9.023286
5.428938
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7.602222
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7.043367
7.058016
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8.128620
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5.986709
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6.147237
8.703101
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5.570315
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5.596561
6.958663
6.673620
6.803873
8.204550
7.863231
8.461760
7.720038
6.445585
6.081072
5.626957
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6.845012
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5.734016
8.530488
7.458556
7.472594
5.990860
7.665593
7.340144
6.947310
8.689917
9.172231
7.403745
9.191763
8.561495
9.486816
6.149922
9.469481
7.430845
5.906140
5.843760
9.023545
6.577792
9.169057
8.151936
6.889325
8.497284
8.466643
8.617771
8.823466
8.430509
5.759041
9.345820
9.224601
6.047868
6.270653
7.273003
7.923048
5.652104
6.040788
9.400632
5.710700
7.282159
7.403134
8.362270
8.489593
9.089343
7.270806
5.702155
7.911206
7.361873
9.100574
8.240562
8.384854
6.574374
7.411802
8.899030
8.326380
5.833140
7.735542
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6.097552
6.867595
7.950026
6.502838
8.548189
8.301721
6.077044
5.739875
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6.643345
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5.671514
9.444212
8.765236
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9.568484
9.139882
6.143330
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
5
10.437739
8.900259
9.563429
10.579546
12.441696
9.121582
11.255554
9.254657
10.426441
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10.969947
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7.340999
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7.407773
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7.885327
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5.429563
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6.059832
6.347560
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7.428037
8.565889
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5.212027
7.351375
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5.933119
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7.857494
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7.957717
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5.828379
6.231223
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8.979598
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6.649205
6.257469
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5.412595
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4.750832
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6.724647
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6.628941
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7.246147
4.837504
6.080462
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6.376736
6.385647
8.154988
7.085009
5.415036
8.444670
5.073717
6.319361
5.965957
6.493072
5.067125
7.613590
8.555025
7.218436
8.229698
5.877453
5.239860
8.306238
5.182363
7.085620
6.941694
5.828501
5.635624
7.786081
7.206351
8.468596
8.067339
8.383877
7.270074
5.954482
6.395047
6.571322
5.305658
5.082141
7.514466
7.283380
6.722571
8.695288
7.579775
7.549867
6.396268
7.004563
4.901837
8.622776
7.704047
8.616062
5.338740
5.750374
5.238029
8.645604
6.052385
7.976638
8.075762
5.295038
5.508423
6.336451
6.477203
6.263817
5.593142
6.827311
6.889935
8.371181
5.721564
6.527253
6.130634
7.764473
6.814615
5.236808
5.624149
8.089434
5.016465
7.020310
8.570162
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5.030503
8.018754
4.915510
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4.946760
4.912946
7.006760
5.542482
6.436796
8.409513
4.795511
7.250298
6.190573
8.124348
7.475646
5.031602
6.470977
5.241081
8.423551
6.140278
8.659886
7.317072
8.319544
4.919660
7.671697
5.612674
5.322016
8.160970
7.109668
5.319575
7.174001
6.794717
5.038072
5.062243
6.110736
5.295648
6.248070
8.047685
7.451353
6.171773
6.889325
5.238639
8.740944
4.915632
7.345027
4.926008
8.325282
4.790262
7.223319
5.073473
8.229331
6.827433
6.341456
6.811075
6.214866
8.410611
5.576785
5.452757
5.893445
5.819346
7.459777
5.411740
7.769234
6.110492
6.384548
7.389340
6.085467
7.708686
8.311975
6.212180
6.351955
7.083422
5.838633
7.417417
9.039048
7.422544
6.554598
7.462828
6.776894
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5.902356
6.302881
5.783578
5.563845
8.003372
6.425565
6.703406
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5.877941
8.071734
9.164907
7.321955
6.552522
8.934187
7.539613
9.039903
7.745186
6.611972
5.368404
6.893353
6.731239
8.117878
5.908704
5.771004
5.668340
5.627201
7.081347
8.979232
6.758950
8.345668
9.191397
8.995224
8.622044
6.367092
5.796152
5.400754
9.251823
8.400601
6.098041
6.869671
6.937422
9.237541
7.234062
8.084796
8.518159
8.838237
8.840556
6.461211
8.349818
6.908979
8.265465
5.546999
7.356502
6.846843
8.804178
5.980728
7.544740
8.926984
7.333186
6.877117
7.351863
6.606235
5.719001
6.517731
9.206046
5.820444
8.373379
9.222648
8.672704
9.147206
6.332789
7.274346
8.561251
8.712012
6.237571
8.773904
7.367733
5.710944
8.582003
8.299646
5.429441
8.426603
5.615116
7.247734
6.163350
6.608921
7.263848
8.724708
7.768136
6.101215
5.454344
5.872448
6.759804
5.581179
9.208243
8.496185
8.719703
7.294610
8.884991
6.872112
7.628117
7.656804
5.949843
5.611087
9.158437
7.595767
6.639317
6.450346
7.307428
8.512543
7.899854
8.851299
5.737190
5.734016
5.975112
7.275445
9.201773
5.332636
8.017411
6.017350
8.435270
8.188437
9.096545
6.464385
7.876415
7.168020
6.982223
7.663640
7.603580
5.296381
9.076403
7.067064
8.855571
8.795633
7.866161
6.332057
6.513215
6.864422
7.278253
9.051134
5.918226
8.077715
8.304651
7.286798
7.401181
9.275750
8.277917
7.785836
7.896313
6.821696
6.169332
6.748451
7.017624
6.101215
8.285607
8.026811
6.970382
7.138966
# Label of molecule (1)
0.799700
# Number of Instances of molecule (2)
4
10.599323
8.893831
9.748318
10.511366
12.427513
8.997232
11.389162
9.353920
10.423244
8.930697
8.608651
10.051712
9.334305
9.840246
12.554536
10.558318
11.788091
11.218893
11.757507
11.710452
11.752389
8.780362
10.892905
9.554356
9.826456
12.282730
10.419483
10.138988
10.935937
11.605115
12.217630
12.187757
11.984184
11.217763
11.504672
10.760882
9.924566
9.751018
8.997979
11.877179
10.193181
10.197330
12.581021
8.728511
9.261543
12.387264
11.536467
9.982383
11.610612
11.673341
12.061183
8.113973
9.692706
11.248098
9.390405
10.567886
8.234623
12.051372
9.806723
8.495756
10.235877
11.947725
10.481653
8.692644
10.968661
9.087375
10.077048
9.405192
10.066570
10.153078
9.677922
8.647658
8.925637
9.198730
6.230598
8.566705
8.837962
8.737088
7.932818
7.898723
8.599039
6.758646
6.199173
5.901220
8.395125
8.718266
9.282273
6.153121
9.823499
7.970506
8.683037
8.870396
9.848422
6.133672
11.095132
9.396485
8.175714
6.687625
7.866866
9.223041
7.397474
8.367257
5.632044
11.396403
9.406224
6.375017
6.177889
7.743393
8.301311
6.391665
9.589891
7.994983
7.784989
10.555063
7.925440
7.378230
10.170620
8.817275
8.452117
9.152672
8.915126
7.119264
6.103819
6.821446
6.615830
8.554642
7.815114
7.658962
8.032140
6.860876
7.975191
5.131627
7.859671
6.041891
7.589469
9.736282
9.378454
9.607913
8.340067
9.880369
8.533552
8.970522
7.471106
8.668212
8.159587
9.793151
8.414941
5.970268
8.382039
7.505125
8.718001
7.846672
7.404263
10.533212
9.696206
10.468041
9.536175
8.943151
9.492701
8.305458
5.953036
6.338195
8.035281
8.024115
8.096050
8.709306
5.347468
6.222617
6.663305
7.371090
8.419462
5.319391
9.189383
6.181112
6.483978
6.278161
7.830821
5.788888
6.992782
5.453429
7.317621
6.304895
5.208914
6.543062
8.883343
7.251213
8.448759
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7.808725
6.315271
6.693579
7.653813
7.650884
8.800455
5.341243
7.773080
7.738411
8.126728
7.509400
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8.449126
6.209067
7.134510
7.097766
8.419340
7.606815
7.794565
5.566103
5.471496
7.843394
7.819590
6.527680
7.001938
8.968917
6.800516
5.211844
7.205435
8.238548
5.872753
8.476348
6.509613
7.784921
8.146870
7.052232
6.596774
7.155873
7.662969
8.845134
8.385037
6.595431
5.244072
8.164083
6.346644
6.942122
7.622562
7.757454
6.536958
6.018509
8.214866
8.526154
5.708686
5.388974
5.919874
7.793344
6.887799
7.359127
8.316065
9.003342
8.785440
8.092303
7.631108
7.724006
8.419706
6.718726
7.860973
8.831217
6.325282
8.311426
7.411863
7.745613
5.721747
8.604404
7.640751
6.600436
7.019883
6.328455
7.669317
6.213950
9.037156
7.038560
7.846446
8.741005
6.300256
8.308496
6.233970
7.879284
5.809153
6.168050
6.490936
5.506287
8.634556
8.657628
5.531556
7.619877
7.729255
8.373562
7.330805
6.458342
7.323725
7.883190
7.254875
5.676824
7.283074
5.879101
5.288018
7.451292
5.799631
5.953200
8.535554
6.388516
7.797494
7.861217
5.372127
9.116138
8.421293
7.155385
7.616337
8.425199
6.987655
7.058702
7.101794
6.845195
8.771523
8.456694
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6.522187
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5.881298
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8.276513
7.454588
7.362423
6.233970
8.715857
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6.277795
7.392209
5.276055
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6.375271
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9.036851
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6.316431
8.035600
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7.903882
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7.681219
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8.582492
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5.895276
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7.661321
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6.502716
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8.728126
8.359828
8.841899
8.238365
6.895672
5.846690
5.894543
9.129017
6.627964
6.917890
8.874981
5.238029
8.460662
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6.868816
8.248497
7.453917
5.399777
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8.695288
7.265313
6.496612
8.731422
6.248192
6.300439
5.570803
7.061815
7.229911
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7.397153
8.349452
8.939924
8.359828
6.360134
6.924604
8.993027
8.954451
8.258141
7.736641
8.623630
9.162465
5.994034
8.912946
6.982101
7.813547
5.446165
5.905408
8.298791
6.049821
6.393338
8.597995
5.788583
7.304376
5.370113
8.748390
8.175619
6.552034
5.326044
9.142933
8.706397
7.209769
6.965743
7.835398
6.533845
6.060076
6.642003
8.848613
8.341029
8.572237
7.680242
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8.082842
6.997726
6.006363
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8.719947
7.614566
8.955916
8.688452
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7.493347
8.135334
6.419095
6.900800
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5.215445
8.152303
6.391018
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7.528993
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8.346034
7.349666
8.948958
8.726173
8.707007
7.763131
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7.132496
7.683050
8.689795
7.513123
7.289727
5.942396
8.906964
6.094623
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8.908063
6.495758
8.544893
7.007248
7.681707
7.969436
6.524079
5.729377
8.810526
5.350093
8.257897
7.801462
7.795236
7.693182
8.316980
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5.462401
5.435911
8.581393
5.560305
5.862560
8.606662
7.656072
5.329585
6.764443
7.407773
9.061144
8.577120
7.492492
5.988540
7.505310
8.721534
6.053728
8.878033
7.992019
6.362819
8.739601
8.820414
6.133320
8.754982
8.842143
6.103046
9.112171
7.956862
5.456664
5.251213
5.667730
6.539460
5.744881
8.964583
7.481017
5.721931
8.033769
7.171804
6.331080
8.812845
9.125477
9.077258
5.402219
6.829630
5.193716
8.073931
9.113147
7.175588
5.640996
7.399594
5.844615
8.243370
5.290399
8.409879
7.942213
8.825419
6.290551
5.342647
7.364559
7.203421
7.104663
8.451628
7.357967
6.791665
5.961196
7.379452
8.527558
7.211722
8.141072
8.650609
5.682623
5.669561
8.474822
7.154225
5.830332
7.515442
6.425810
5.496338
7.692938
6.854656
5.135365
9.092395
9.122913
8.091876
7.802683
6.877117
6.792154
5.276971
6.775918
5.508789
6.529695
6.132710
6.730018
6.937788
8.681860
5.635746
5.304682
5.218741
6.872234
8.028275
8.578341
8.440275
8.533784
6.133564
8.753029
5.645634
7.590640
8.852153
5.425901
8.622410
5.661870
5.710944
5.821055
8.431608
8.165487
7.345027
5.356929
8.557466
7.694037
6.780435
7.925855
6.546052
9.040025
8.399991
7.257866
6.013688
8.243980
5.461058
8.747291
6.895672
8.041337
9.045885
9.113880
7.813547
6.082781
5.312983
5.275262
8.433439
6.302881
7.932447
5.806284
5.692755
5.811899
6.571566
8.357143
7.768136
7.686468
6.314234
8.409635
7.660466
8.033647
6.881756
6.743324
8.273522
7.703192
8.535371
8.987777
8.857891
9.023667
5.532472
8.635472
8.698218
7.936354
6.013443
6.891278
5.917615
5.902966
# Label of molecule (2)
0.765807
# Number of Instances of molecule (3)
4
10.448104
8.907081
9.501760
10.629485
12.413017
9.145461
11.208289
9.375675
10.457532
8.721456
8.500272
9.878347
9.584077
9.804075
12.544503
10.668134
11.746688
11.032572
11.762298
11.571381
11.943486
8.996777
10.879352
9.659884
9.648483
12.433489
10.437049
9.966948
10.858130
11.585339
12.529657
12.201767
11.913560
11.310818
11.517308
10.743567
10.072850
9.901418
9.175123
11.889224
10.099583
10.300005
12.516504
8.717571
9.233526
12.627678
11.573700
9.949714
11.564928
11.610173
12.380844
8.313880
9.585259
11.526524
9.253736
11.003388
8.419358
12.640684
9.829934
8.302671
9.928594
12.187201
10.564426
8.668846
10.570990
9.520342
10.248846
9.245079
10.023174
10.072042
11.840444
10.038640
9.662824
9.785313
8.306331
7.374359
10.828442
9.784603
8.433094
9.704140
8.038558
5.994751
5.963920
6.482809
8.227449
5.853729
7.698422
5.831264
9.164183
9.359942
8.231789
7.986542
8.570231
8.057144
10.250047
9.206520
10.049413
6.976769
10.275147
8.583164
8.381435
8.863338
5.831165
8.920593
8.291589
7.771406
5.427661
6.536739
7.857743
7.331893
6.811574
9.894341
6.967330
10.104171
8.067674
7.878369
7.296892
8.451414
10.997462
10.496265
7.058211
6.277422
8.068648
8.756746
6.046959
9.096099
8.051225
9.599290
7.182167
6.354037
9.248886
5.950022
7.936483
8.392649
6.374163
10.980933
8.039033
8.038051
6.974072
7.363427
8.184694
8.878078
9.733728
7.291443
7.627844
8.556502
8.154967
7.592640
10.508323
7.097524
7.912598
7.229599
6.635041
10.420618
8.717852
9.323830
9.090531
9.912153
7.933268
5.455054
6.213237
7.847907
7.449742
7.696703
7.493785
8.447970
6.334010
6.114887
9.228874
8.417814
7.364071
7.115650
8.332362
7.518738
7.619938
8.777200
6.901532
7.566103
5.625858
8.449187
6.237938
6.784707
6.526765
7.215506
9.176138
8.651830
8.120930
8.710303
7.267754
8.318079
7.041307
6.112934
7.553285
5.896985
5.459960
6.198874
6.293725
6.495025
8.691259
9.319697
7.038743
8.859722
6.067888
6.186911
6.404813
6.519684
5.466308
6.337794
8.940779
7.292291
5.855113
7.152882
6.452666
7.032762
6.240989
6.305811
7.166433
7.501526
7.389950
6.516144
6.099384
6.221946
8.695288
7.482849
6.019181
8.207724
8.570284
5.871471
8.363735
7.430113
6.737709
6.232688
7.495300
7.904126
8.795389
7.723334
7.668279
8.265587
7.426695
5.508789
8.080401
7.716376
8.638035
7.719916
7.386410
9.211295
5.391964
6.838298
9.047105
5.761849
7.015915
6.388089
6.889080
5.733528
6.757485
5.806284
8.251427
7.008713
7.864330
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6.091571
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6.562410
7.040574
5.429563
8.636082
8.307093
9.145497
7.500671
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7.683294
6.695471
8.995468
8.892315
8.328944
9.289789
7.760933
8.483001
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6.436918
8.336634
7.455260
5.947279
8.184652
6.702429
5.484741
8.597995
6.926313
7.611881
9.291620
5.884411
9.264885
5.886853
8.983261
8.629002
8.804788
9.047838
8.015458
5.738777
8.749611
8.654881
6.644810
6.793985
9.178213
5.735603
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7.657414
7.877026
5.672857
7.886181
5.484741
5.600833
7.928663
6.479278
7.507263
8.639012
5.979629
7.982620
7.961989
7.560488
6.838054
7.922315
5.547487
9.014878
5.533326
7.677313
7.776315
7.461852
7.930738
8.877300
6.601474
5.706305
7.842479
7.263237
5.876965
7.240043
5.879162
8.522675
6.745033
6.485137
8.255577
7.855174
8.242759
6.757485
7.545106
9.510865
8.687353
7.759713
9.120716
7.452696
6.193258
5.793100
6.296655
9.096179
6.341700
8.976913
9.369625
5.974502
9.185781
8.082476
8.931745
8.212851
6.966842
6.862224
7.834056
5.678472
5.916883
5.743294
6.171285
8.688940
7.521912
6.765542
5.667364
7.146657
6.620273
5.635014
5.831797
8.981063
5.713752
6.770791
6.266869
8.768777
6.862712
7.218314
7.496643
7.408506
8.543672
9.305170
8.695288
5.726936
8.841655
7.914014
6.688147
8.887677
6.354274
8.248131
6.602451
8.480804
8.181478
7.963088
8.539644
7.166677
8.376308
7.541688
8.647923
8.750465
6.230979
6.785440
6.966964
6.559481
7.775460
7.298883
8.421964
9.002182
7.859813
6.839885
9.340693
7.180227
8.199545
9.413694
7.868358
7.431822
8.755593
8.982894
6.657628
5.677984
7.825266
6.670080
6.205344
6.449858
8.220420
7.328059
9.213492
7.470519
8.904767
7.351619
6.348292
8.665624
7.468322
7.606388
7.773507
6.479400
8.812723
7.350764
6.830973
8.370937
9.421873
9.024277
8.245445
8.363613
8.593600
5.778207
7.227714
6.525666
8.008499
5.623783
7.850902
9.254631
7.007736
8.072344
7.075488
9.241569
6.958419
7.142140
8.797464
5.990127
8.079058
8.608493
6.295068
5.765999
8.100909
7.370174
9.449950
5.849132
6.141133
8.808329
7.114063
5.967666
9.161000
8.012650
9.003281
7.785714
8.384854
6.749306
9.487426
9.320063
7.056566
6.047136
5.653691
7.163381
6.904706
6.274316
8.020219
9.385617
6.695471
8.583834
8.270837
7.990188
5.845347
5.256462
6.727943
6.679846
5.024888
6.107929
7.906812
8.884014
8.721900
7.216117
5.520264
7.376766
8.236656
6.604160
5.063341
8.008377
7.191580
8.457121
7.186453
7.793283
7.282403
7.280938
5.349605
6.425932
5.677984
5.743171
6.562044
6.162496
8.444060
7.065966
6.582553
7.945875
6.364040
8.849834
8.956648
5.646611
5.535524
7.202689
7.263726
6.298242
7.113330
6.047380
7.950758
6.196554
8.576388
8.485199
5.126698
6.744301
8.893170
5.086901
8.693091
7.910962
5.961440
7.991897
5.184317
7.185232
8.695288
5.683355
8.696631
5.895642
8.134968
7.320734
5.274407
6.771767
5.958144
7.500427
8.136189
8.623875
8.760842
8.322474
7.107959
6.013565
6.489288
5.635136
5.645390
7.794015
7.394833
8.336146
8.815165
6.388577
7.886425
5.601810
7.612857
7.690619
5.657231
6.922773
6.992111
5.452147
6.459868
5.816904
6.979415
6.042619
8.904157
8.099811
8.248985
7.447081
5.654057
7.582583
7.535218
6.383572
5.398556
6.075701
6.255150
5.411985
5.969619
8.572115
5.716437
5.910169
6.984298
6.484405
8.287439
6.791787
8.385342
7.813425
5.901868
6.842326
7.255547
7.119312
7.276177
6.546297
7.279717
6.174093
5.210440
7.282159
5.230583
6.167867
7.352596
7.759713
8.853252
6.345119
7.797311
7.573550
6.522492
5.945936
6.895428
5.750252
7.049730
8.326014
8.651219
8.161458
6.011612
8.132282
7.077929
7.679510
8.978866
8.408170
6.891522
6.951094
8.017167
8.502655
5.914197
7.661687
5.837413
5.660283
8.564547
8.167928
7.969192
7.164602
5.807260
5.372555
5.331782
7.912305
6.940840
6.716102
7.580630
6.291406
# Label of molecule (3)
0.838531
# Number of Instances of molecule (4)
4
10.652174
8.926393
9.529568
10.562936
12.396264
8.924298
11.206906
9.270760
10.432776
8.774659
8.581648
10.072976
9.404219
9.932940
12.687603
10.592810
11.704674
11.049879
11.789759
11.574164
11.997584
8.971125
11.101624
9.615573
9.754559
12.173782
10.443256
9.908571
10.976227
11.772085
12.476495
12.009672
12.110797
11.144813
11.431182
10.819518
9.954374
9.918201
9.258971
11.750444
10.167511
10.433217
12.678764
8.876573
9.191136
12.507884
11.575117
10.067684
11.602005
11.656610
12.337936
8.438129
9.511296
11.625783
9.351602
10.999898
8.481751
12.080602
9.703725
8.712168
10.264105
12.346866
10.700770
8.796811
10.819253
9.141398
10.221077
9.092274
10.262977
10.241972
11.755426
7.453187
8.985777
7.930205
8.691682
7.428442
8.380734
11.329526
8.787906
9.233917
9.074993
8.184239
8.058650
5.629549
8.803545
6.460239
7.847660
5.747023
9.773134
8.185725
10.423180
9.485072
9.867289
7.664319
11.052140
8.485526
10.586222
7.946830
7.422951
9.309768
5.743433
6.282732
7.367679
9.288414
7.204193
5.739236
7.332027
8.965129
9.302993
6.507192
7.597441
9.645667
8.082328
8.125021
5.658537
9.350308
8.269776
8.799954
10.847100
10.212055
9.141334
6.295124
6.807657
9.475044
7.766517
11.521647
7.065866
8.486241
6.361974
7.440783
8.957065
5.528891
6.995745
7.012001
8.761587
10.549796
7.273366
11.758714
6.663137
10.523143
8.375406
8.182166
8.380190
6.599667
5.092229
7.977226
6.774092
5.994634
9.432955
10.435569
8.430357
8.566853
6.285806
8.086241
8.082848
9.182630
8.464990
9.533789
9.977427
7.665387
6.177764
7.354188
8.565391
5.716551
10.075417
6.386182
6.762246
5.371700
8.754738
8.911237
7.589175
5.638188
5.980605
7.199881
5.276238
7.356624
5.356441
6.199850
8.762429
8.613742
7.787545
5.846934
5.450072
8.649510
8.130329
8.945173
8.710669
5.980605
5.802133
7.784982
8.566012
7.108203
5.257195
6.286523
6.427030
5.187613
6.204001
8.039384
8.761330
6.033586
5.441527
6.616123
8.564547
8.837016
6.186911
8.535615
5.512818
6.966353
8.769875
5.248283
5.669683
8.231773
6.569735
8.520966
7.621403
7.983474
5.070177
5.593509
7.918165
6.422391
7.905103
8.486297
8.695288
7.495788
7.772042
5.828745
8.347743
6.754189
6.088641
7.588076
6.135640
5.544313
7.265069
7.070116
5.593631
6.913251
7.469176
6.569979
7.620670
6.597446
7.758980
7.044725
6.122944
6.474029
7.457091
8.185385
5.089221
7.847484
7.642399
7.262139
5.968032
7.946364
8.634251
7.118213
8.226402
9.007920
7.342830
5.686651
7.962233
7.321589
6.363186
5.406003
5.446776
7.610050
8.685400
6.909101
6.472808
6.119892
5.896863
5.360836
8.379727
7.799753
5.752693
5.818491
7.636662
8.937605
6.987594
7.991653
7.852855
6.634922
7.244438
8.774270
5.093860
6.492828
7.996536
8.926130
5.377194
5.881726
6.335597
8.277551
7.222587
8.173910
5.502930
7.832224
8.131428
5.311518
6.037248
7.143849
7.872509
8.085040
5.414182
7.340632
7.445494
5.498169
8.055010
8.174276
8.600558
8.593722
5.574343
5.466185
8.786233
8.114582
5.148549
5.327876
8.404019
5.377316
5.873791
5.529786
5.240593
5.729621
8.991806
8.393155
8.956038
5.970473
5.858776
7.580508
6.500763
5.105090
5.530641
5.159780
7.338801
5.811411
7.723197
8.367382
6.219001
5.466292
8.654012
6.164068
7.880428
8.885220
8.013245
5.804682
8.877529
8.871426
8.256661
7.665090
6.397839
7.299356
8.159001
5.913816
5.802240
5.575304
9.239601
9.120334
6.030885
8.114444
8.116520
7.196570
7.625538
7.092929
7.667409
8.052065
7.245399
6.847560
5.868160
9.332377
8.549028
8.299509
7.186926
8.620685
9.319071
7.775323
7.408124
5.474227
6.703513
6.603046
8.760460
6.671773
8.450636
5.855342
8.225654
8.046815
8.008728
6.616474
7.900571
8.282785
7.370281
6.148320
6.290170
8.042299
5.532090
6.328867
7.404584
5.809809
8.447951
8.740074
6.535783
7.817682
6.348399
8.777917
5.588977
7.434980
6.302988
7.162755
8.844813
7.391522
5.899167
7.221107
8.023743
8.212714
7.913999
8.317576
7.532884
8.240913
5.852046
7.808527
6.766137
6.616840
8.227485
5.895871
6.333384
6.598163
7.460128
5.753533
7.096103
6.587786
9.267678
7.301920
8.881069
8.248360
8.421094
7.006256
5.749870
9.078829
6.745750
6.073855
8.697348
8.825159
7.237098
7.423872
8.654866
9.103366
8.169744
7.806085
6.673849
7.608203
7.073763
5.443098
8.163396
6.281869
6.452773
5.570910
8.057558
6.820338
7.119541
8.252754
7.787652
8.888760
9.023652
8.841029
6.934477
8.424146
5.445540
7.464156
6.434095
7.398602
6.435194
5.910031
6.214606
8.418531
9.364483
8.284494
6.137089
5.534043
8.474563
7.816218
9.116062
8.636067
9.289651
8.187689
7.294351
8.812098
7.772027
5.762444
6.149052
6.039674
8.095523
9.086886
7.400311
6.590594
6.910306
6.039674
5.601184
7.519822
5.975707
7.005768
7.281289
7.616260
7.468841
6.138234
8.751717
7.199057
8.777108
9.018448
7.908429
6.165822
9.150288
7.134846
7.939070
9.031877
8.184317
7.064409
5.733558
5.381985
6.117603
6.910352
7.795633
7.839824
8.677984
8.894421
5.944990
5.903485
8.609500
6.033006
8.388180
6.808786
8.754036
6.276299
6.029344
5.786050
5.562899
7.482147
7.900494
6.095019
5.912030
6.600650
5.582186
7.204184
8.098498
8.445921
8.492431
5.496735
7.889508
5.427152
5.917280
5.872845
8.503784
5.617466
5.659093
8.626347
7.395474
8.532105
9.176290
5.969527
6.718574
5.992843
9.090716
8.581668
8.346309
7.454680
8.937391
8.555788
8.318964
7.166585
7.031205
7.118610
7.598605
8.544435
8.325678
5.499542
6.001144
7.129353
6.138722
7.322596
8.184805
7.507660
5.621616
6.896680
8.567019
7.565035
6.843944
7.780251
8.046861
5.454375
7.371181
5.992965
5.406888
6.646916
6.209769
6.251885
8.270379
6.445738
8.994522
5.605869
6.485900
9.335108
8.291375
8.843150
8.819956
8.540040
6.895581
6.046800
5.826456
7.172811
5.994308
8.676031
7.772683
8.339839
6.072192
6.542299
8.493774
7.584201
6.434996
6.062181
8.052721
7.039506
7.224204
8.156606
9.079852
8.670171
7.799539
6.174123
7.666112
5.971358
5.363552
6.213065
5.687902
7.506195
7.703345
6.216483
5.434477
7.652806
7.924055
8.216300
5.416776
5.938276
7.050249
8.099231
6.230033
6.332942
8.369625
9.273827
9.345729
5.880657
5.392117
8.608158
5.709265
8.040269
7.304529
9.018082
9.017350
6.112232
7.788430
7.077593
6.548158
8.128162
9.083026
6.028367
6.423765
8.573489
7.164632
6.562319
6.175710
6.323298
# Label of molecule (4)
0.832126
# Number of Instances of molecule (5)
3
10.608260
9.105565
9.521980
10.553237
12.436556
9.136601
11.464401
9.266382
10.376142
8.852365
8.506481
9.902023
9.526072
9.968630
12.573432
10.607463
11.706867
11.212303
11.571921
11.821810
11.961893
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5.647465
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8.587008
6.517975
# Label of molecule (5)
0.802224
# Number of Instances of molecule (6)
5
10.377707
9.146823
9.469689
10.729732
12.535248
9.114822
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5.408475
8.642949
7.877422
6.008957
7.411100
5.275292
5.673254
8.312372
6.052538
6.663518
6.235405
6.744209
8.754402
8.426023
7.646825
8.307245
6.978469
7.235557
4.788949
6.364681
5.508087
6.673162
8.573366
4.959487
8.345698
6.353816
5.974166
6.841990
5.102802
8.702033
7.744240
6.585269
7.758156
7.749367
8.683355
8.160756
5.656163
6.332087
7.337001
8.349483
8.624393
6.060717
5.999924
5.365383
6.081957
8.439085
5.899579
6.063280
8.016099
7.506195
6.432920
7.107990
7.699927
8.376705
7.335170
7.480560
8.028184
8.055162
6.650700
7.693945
7.344813
4.898328
5.386013
5.095111
6.637761
5.100848
7.715796
8.629154
5.976119
8.579592
7.618625
6.437193
8.063829
6.631413
6.818918
5.667394
4.786874
5.739296
# Label of molecule (6)
0.828703
# Number of Instances of molecule (7)
4
10.581622
8.895549
9.712113
10.759798
12.330947
8.884930
11.417909
9.292214
10.520088
8.746972
8.592727
10.019750
9.486717
9.768875
12.483462
10.462320
11.558434
11.111185
11.642509
11.751558
11.961515
8.924134
10.856926
9.624386
9.696516
12.268894
10.662102
10.074286
10.807329
11.691298
12.461204
12.125852
12.183470
11.359575
11.486823
10.677916
10.014334
9.768189
9.263541
11.958221
9.936339
10.415190
12.432489
8.837415
9.193562
12.575588
11.598902
10.103350
11.725673
11.495303
12.646004
8.327595
9.697063
11.421314
9.349022
10.995958
8.568924
12.554792
9.874569
8.465253
10.253290
12.460443
10.444212
8.492276
10.891359
9.249121
10.598397
9.340098
10.353588
10.001353
12.074413
10.325784
9.712597
10.074912
8.509693
9.160398
10.199712
11.273960
8.724525
9.838276
10.768643
7.019681
8.984767
6.603760
6.258716
6.544449
8.310561
6.822228
7.796299
7.064820
10.232224
7.972417
8.606644
5.914416
9.070629
8.470634
9.758810
8.070614
8.461479
10.897369
7.031827
6.628668
7.056224
9.570384
8.276138
6.891553
7.433508
7.182647
9.614721
7.042585
8.493353
9.030842
6.262478
8.697311
5.588412
7.324520
7.328408
7.770240
8.117160
11.596561
7.326904
9.440534
7.621342
8.501696
8.697441
8.253319
8.038071
6.731586
6.797201
6.993411
9.726001
5.110110
8.239807
7.178256
8.477992
8.884122
6.834172
11.771373
8.909089
10.969710
7.845778
6.357215
8.778234
7.140860
6.768866
7.105846
6.007551
5.396317
8.970418
10.306459
8.227166
7.570809
8.046997
8.733873
9.611018
9.540482
8.988622
9.441086
10.863437
6.698810
8.541246
8.921708
8.471286
6.445038
10.046365
8.539881
5.626576
7.922300
6.278207
7.606616
8.272042
8.690023
8.165471
5.426130
6.578875
5.859371
8.877529
7.971862
4.917814
8.603473
7.435224
7.551805
6.172246
7.316691
6.811426
8.695029
7.669485
7.361492
8.451857
6.189337
5.634877
7.867489
5.756951
5.863277
6.546281
8.462722
5.900632
5.982543
5.758660
8.807215
7.357830
7.141636
7.780450
7.807794
6.519791
8.519852
8.571245
7.387494
8.770104
6.381848
6.238533
7.683523
5.395856
8.693930
8.508133
6.551408
7.710746
5.732414
7.342814
6.247444
7.762261
6.560930
5.084323
8.167180
5.002899
5.247291
6.494034
6.511979
8.294504
6.700217
5.066500
5.762444
8.624470
7.995788
5.992553
8.829066
7.908261
5.073214
6.144536
8.759239
7.252846
8.671468
5.460677
6.873806
8.055605
7.383343
6.103397
6.207648
5.314066
5.701895
5.764397
7.130161
6.522355
6.934599
5.495224
6.020875
7.528001
8.858242
6.434828
7.874203
6.724631
5.992065
7.811213
5.709098
4.955901
6.363536
8.591144
5.658803
8.505692
8.640095
5.153294
6.614277
6.547502
7.503708
7.361003
5.298196
8.432814
5.142430
5.406232
7.643849
8.187201
8.735313
5.804071
5.352275
5.594470
7.801813
4.909268
6.505997
7.241371
7.296182
6.332408
7.110752
4.897183
6.318003
6.628193
8.443312
6.605609
6.314219
7.633351
7.077670
5.861812
6.649068
7.827082
6.467299
8.250679
7.416547
7.090732
4.955901
4.920866
5.368999
5.240089
5.093356
8.270333
6.839259
8.707114
7.131626
7.215979
7.528489
5.743767
7.574389
5.427229
7.037141
8.525834
5.658071
7.893246
8.013245
6.528459
6.635395
7.201086
7.792047
5.552110
8.740684
8.768883
6.706687
5.332621
8.821863
6.174688
6.719504
5.287454
5.333964
8.801843
5.663320
8.877529
7.894467
6.092166
5.559435
6.997589
6.354625
6.789209
8.052187
6.743431
6.430067
5.727165
7.826472
6.167364
5.285989
4.896084
5.830317
7.744072
6.615009
7.153600
5.176733
7.923276
5.081759
6.960967
6.599628
6.142949
8.010193
8.517289
6.340587
6.678365
8.187445
7.667165
5.339824
8.701987
7.660329
7.957213
8.606525
5.929441
6.399304
7.215247
7.643971
7.226966
7.703543
5.028413
8.805017
7.553392
6.224372
7.494919
8.451613
8.615070
6.480361
7.623218
5.793939
6.604511
5.739372
5.756340
6.284433
6.401868
5.143529
8.393139
6.442030
7.611133
6.950468
5.783074
4.979827
5.807733
5.767327
6.670797
7.113926
6.372570
7.652150
6.562517
6.925565
6.285287
4.956389
7.891903
6.654073
5.256081
8.786706
8.458937
5.793695
5.565661
6.955840
8.517167
6.871120
5.993652
5.303934
4.884732
6.775903
5.205908
8.260079
6.453871
8.522782
7.979064
8.520829
7.472945
6.316904
5.635365
5.722404
4.978118
6.799707
8.064150
7.979431
8.748131
7.349284
6.703024
8.164617
6.156499
6.309946
5.856319
8.807947
6.299081
6.027711
5.723991
7.485885
5.768059
7.563646
6.515641
8.579302
8.450636
5.963622
5.026826
5.272561
5.725822
4.956755
5.050752
5.670522
5.434919
7.959288
5.000092
6.907376
7.999451
8.256539
8.116520
7.122349
6.063967
7.242103
6.639058
7.178503
6.036256
7.584399
5.310404
7.998230
7.901181
6.199225
7.592944
7.389813
5.683462
5.901608
5.970214
6.243904
4.933317
6.612079
7.711600
7.969298
7.610523
6.993194
8.995224
5.643071
8.345424
8.831767
7.482604
7.205008
5.269646
6.949995
7.429991
6.058977
7.880566
7.976760
8.372646
5.416501
5.202017
6.195090
8.778787
8.482269
5.302973
6.114887
5.198965
7.043382
7.785104
7.104541
7.440245
8.614109
6.734291
8.266198
8.136799
9.008896
5.507691
7.426572
7.095996
7.221366
6.730750
6.121845
8.792093
5.482177
6.880657
6.447905
5.382321
7.371639
6.830851
7.653996
7.623966
8.862529
7.731758
8.353114
8.061724
7.166921
7.601749
6.224631
6.866497
6.263329
8.004227
9.084216
8.695288
7.978225
6.186178
5.195547
8.950667
7.497009
6.052263
6.699866
5.813852
6.180074
7.349788
6.037248
8.425748
8.558809
6.439238
7.235038
5.590945
8.384976
8.027177
7.938795
5.381710
6.611484
5.233268
6.059832
6.013810
6.176901
7.369686
6.916303
8.371426
6.469756
8.805399
8.739357
6.555452
6.347316
6.291650
6.423368
6.831095
6.584628
6.124897
7.392636
7.346736
8.627903
8.517548
7.460021
9.003769
8.527558
6.557894
8.552828
5.847789
6.925825
7.128590
6.181661
5.360103
5.974868
7.162893
8.525483
7.020798
6.058245
8.610080
7.009201
5.521241
5.192740
5.488159
8.248741
7.000656
5.985733
6.397610
7.237724
8.679662
9.020737
5.869030
7.652287
6.267846
5.547853
7.924757
5.146596
7.521180
8.356166
7.223807
7.517273
8.320032
5.696783
7.169362
7.608219
5.647954
5.139393
8.351405
6.834758
7.843333
8.231651
6.700476
5.197501
8.498993
6.837687
6.727821
7.665960
8.385220
6.033341
5.225333
6.801798
7.772530
8.429167
6.803385
7.501282
5.525636
8.798807
6.636631
5.729133
7.348323
5.887463
# Label of molecule (7)
0.900475
# Number of Instances of molecule (8)
3
10.423580
9.061978
9.742757
10.638795
12.603568
8.869693
11.444195
9.354779
10.440493
8.706986
8.551798
10.062279
9.502119
9.912449
12.426928
10.743624
11.678817
10.956613
11.545557
11.636431
12.035385
8.867013
10.867582
9.536675
9.778139
12.121750
10.493798
10.085347
11.028989
11.551880
12.261202
12.145080
12.072734
11.227472
11.495681
10.794126
10.050509
9.847573
9.016323
12.006226
10.205791
10.238093
12.668457
8.704166
9.201425
12.359365
11.443789
10.194279
11.590947
11.618637
12.552136
8.400461
9.659668
11.751160
9.225690
10.861161
8.532461
12.410688
9.850647
8.302520
10.040488
11.896841
10.968122
8.556113
10.642606
9.490544
10.659177
8.987227
10.408902
9.791792
11.925291
10.186175
9.669705
9.980683
8.626729
9.089439
8.197495
11.614224
8.314341
8.612277
11.020152
6.560889
7.023272
5.681498
6.773117
6.216082
7.828086
5.407002
7.678409
7.110768
10.476248
8.177005
10.637016
7.046021
8.763826
8.199671
8.590746
7.525524
10.473389
9.608664
6.032153
7.867872
7.777021
10.945087
9.292346
8.543175
5.766504
8.731259
9.039081
7.281399
8.379828
8.564337
6.512294
8.783642
6.938735
9.489032
7.430980
7.737366
7.920441
11.033726
6.231926
8.873440
8.176682
8.704934
7.639047
10.511113
10.320708
7.732439
7.407646
7.287055
7.783419
6.581811
7.495449
7.309971
7.068638
10.848016
7.352227
8.710763
6.309010
10.855257
9.797347
9.361141
6.860023
9.177222
6.299147
7.966806
6.974614
5.458096
10.104036
9.294536
6.640866
7.811171
5.699278
9.688570
8.042313
9.776538
6.902722
8.534700
9.645967
7.640286
6.073260
7.993078
8.101952
8.202292
7.023725
7.326991
7.208090
7.490936
5.448027
6.201712
6.993240
8.872570
5.474517
7.500336
8.960585
8.998795
7.290613
7.169027
6.476989
7.671361
7.459197
8.471801
7.549409
5.202536
5.650426
5.768715
8.257317
6.873974
5.868084
8.408567
6.241020
5.355495
7.417570
6.518616
5.119526
6.460997
7.491424
7.069292
6.711859
5.614658
7.247032
6.586245
5.939253
8.402951
7.251427
8.886242
5.282128
6.587710
8.168447
6.211112
7.665502
6.956252
6.562563
8.136341
8.650639
8.380001
5.695471
8.626347
6.805002
8.461547
7.189901
7.614231
5.128559
7.141072
7.434904
5.480255
6.407651
8.639531
8.609256
6.803171
7.374966
9.112079
8.196158
7.759377
6.549501
7.388150
8.865978
7.547212
6.629948
6.172048
8.600589
6.208548
6.318537
9.079730
8.934950
5.223411
6.449644
8.885632
5.191061
5.254295
5.297754
8.357173
8.579348
5.412992
7.940413
9.048601
8.041246
6.426206
8.550539
5.431303
5.710364
6.074267
6.493347
7.735939
5.864788
5.278588
7.104205
6.878368
7.246788
5.213034
8.018784
8.848766
6.625065
5.812662
5.935224
7.935286
7.473846
6.056200
8.680059
6.159719
5.644078
8.398068
7.453093
8.298090
5.902509
7.722144
6.128590
7.862041
5.212180
7.195151
6.484558
5.417753
8.630131
5.393338
6.237968
6.614322
5.697546
9.076800
8.758553
5.298120
5.197775
7.988266
5.338038
7.088946
8.155141
6.049852
8.889782
6.791574
8.951674
5.332911
7.950179
7.018021
8.436277
5.177511
7.863872
7.396695
8.900891
8.833262
8.020371
7.740822
6.798288
8.001083
6.021531
6.554872
9.078021
5.646153
5.654454
6.250175
9.013565
7.461394
7.542695
6.447447
7.024506
8.411634
6.650349
5.993225
8.102664
5.963805
5.687551
5.798761
5.415204
5.322550
6.496292
8.759667
7.669668
5.811945
4.862087
7.085299
6.489456
7.890866
8.196905
7.104343
7.519761
7.845332
8.310923
7.765252
8.335826
6.193060
8.678854
6.786828
6.033876
7.172704
8.071413
6.831141
7.374126
8.694601
8.430677
8.075686
8.354625
8.127323
4.860622
7.558336
8.090091
7.295389
5.612354
7.671010
7.869625
6.062929
7.934202
6.176702
8.269784
7.877804
5.664968
6.125431
7.196875
6.651692
6.445265
6.042787
7.734245
6.352489
6.419263
8.767113
6.668783
6.680258
8.304819
5.310953
8.573138
6.206366
6.705527
8.120365
8.316294
8.346934
6.540117
6.106510
6.879727
5.548387
6.463332
7.828486
7.353252
7.058443
5.154820
5.196203
7.985107
5.657399
6.350047
8.075198
7.161596
8.726951
8.487930
6.161199
5.192297
5.028108
6.851039
8.506729
5.774468
8.566790
6.073061
5.068148
6.011292
6.918668
6.888394
8.653584
5.861629
7.391583
4.998321
5.641774
5.892758
8.397351
5.930723
5.852107
8.213507
5.410810
5.765435
7.936033
5.462447
6.889126
5.602588
6.667196
8.725120
5.526780
5.648610
6.506424
7.256203
8.222907
6.793420
7.813349
6.881191
6.131901
5.554979
6.082095
7.953490
8.178228
6.267037
6.576617
5.739921
7.404645
8.382946
6.737144
6.112491
7.532456
8.771752
8.737205
7.418073
7.107395
4.881985
6.562700
5.404096
8.606952
6.648274
5.990417
8.074221
5.882626
7.012543
5.839045
5.346355
5.314615
6.940764
6.869350
8.394177
6.050478
4.804102
8.707297
7.539048
6.706626
6.004822
5.165929
7.575182
7.904782
# Label of molecule (8)
0.847187
# Number of Instances of molecule (9)
4
10.574374
8.961397
9.677025
10.762147
12.364441
8.952506
11.442599
9.346174
10.395263
8.668880
8.495851
9.852027
9.379420
9.812854
12.541352
10.531313
11.772018
11.010878
11.509322
11.621043
11.741920
8.847404
11.097262
9.634546
9.790540
12.263288
10.596207
10.086552
11.005085
11.618142
12.447079
12.112331
12.113250
11.207307
11.748937
10.788292
9.919893
9.687698
9.184142
11.803074
10.102228
10.321809
12.543478
8.770614
9.134918
12.362746
11.534721
9.983460
11.622002
11.657364
12.643124
8.242968
9.671901
11.292449
9.371575
10.505201
8.316192
12.442503
9.822550
8.571182
10.062288
12.418612
10.724986
8.977631
10.803702
9.244334
10.169323
9.079366
9.989768
9.715490
12.341977
7.818588
9.463576
8.591592
8.642701
8.484409
10.505886
9.545696
7.398091
8.524940
7.649779
8.064714
6.532669
7.304032
6.943007
8.191830
8.960900
4.950953
7.814573
9.153747
10.133044
7.690140
8.435995
6.339311
8.890929
11.299764
9.092037
6.285379
7.737806
8.453422
6.513095
7.649860
5.487751
9.784661
8.723411
8.543860
6.215836
6.618181
8.476324
7.845674
9.610443
10.577656
7.350543
9.657541
6.716062
7.475703
8.993279
10.069688
8.876223
8.974935
8.342405
7.316186
6.685595
7.271820
8.367798
9.126025
9.479156
10.142449
8.672663
7.497720
8.856321
7.360648
7.364741
7.146795
7.729830
8.693054
10.225188
9.823955
7.909851
8.685271
9.461173
8.255523
8.568061
9.644038
5.904500
8.912118
7.344094
6.235611
9.146897
7.149621
6.309682
8.456056
5.752461
10.603357
9.876552
9.579406
9.920980
6.947303
10.467693
7.507485
6.159826
6.895934
8.514460
6.085166
7.239822
7.663754
9.016465
8.188559
6.241111
7.086962
7.208914
9.197989
7.151906
8.994980
6.846477
7.990188
6.151509
7.678777
6.753090
7.400082
6.124287
6.364772
6.916669
6.081683
6.149678
5.603641
8.150838
8.875469
5.721809
8.523164
8.967025
9.166250
8.119098
9.261589
9.033555
9.109973
7.295465
9.455321
6.594394
5.602054
8.671361
5.656743
7.225394
7.862621
8.197470
8.556246
7.299738
6.513581
8.067705
8.883526
5.540529
8.024491
9.453978
6.864910
6.034318
6.398831
8.641331
8.109455
6.079608
5.978652
8.935652
6.798990
8.247398
7.240410
6.719153
7.060228
6.026627
9.459105
8.030839
7.388607
6.432035
6.113544
6.043474
7.004318
6.946211
6.909955
7.816477
7.011155
6.173360
6.296533
8.694189
9.236808
5.579958
8.345912
6.730506
5.625736
5.694220
7.879711
7.510193
9.064074
6.143818
5.710211
7.743721
6.507111
8.902692
5.874401
8.011673
9.288202
6.124775
8.735084
7.031175
9.480590
7.938551
7.823313
7.821848
9.191031
7.577334
8.300256
8.144612
7.655828
7.220634
6.908490
5.588870
9.018906
5.921033
7.293146
5.683844
7.661931
8.993271
6.562288
7.407651
5.966811
8.237144
6.967696
6.469512
9.381100
8.373623
8.575411
6.741615
5.663091
9.065172
8.804300
8.213584
9.183340
5.897839
8.707007
5.844981
9.153310
7.699896
7.868114
7.692572
6.661046
5.568972
7.793893
6.684240
7.384945
6.988693
5.669683
6.418363
6.862957
6.402860
6.359767
7.360042
7.191580
5.627934
6.523591
5.811045
6.028947
7.475402
6.724891
8.029374
8.777932
7.960036
9.407956
7.870067
8.823954
6.469512
6.615146
6.326930
6.702795
7.269951
7.323664
6.980392
7.530335
5.546388
5.623783
5.841197
5.412961
8.672094
5.252190
7.028489
6.318628
8.027299
7.246147
8.218589
6.283715
6.100360
7.192923
5.657109
6.838420
6.628208
5.358638
8.555269
7.420713
5.926038
6.863201
6.445830
6.532014
5.115101
7.784738
6.876995
5.510376
7.624577
8.070025
6.815348
6.795206
8.341151
6.123798
7.136402
8.559542
6.782388
7.952223
5.574465
7.585147
6.668737
5.737068
5.510132
8.253624
6.268456
6.714270
7.967238
5.530519
5.891491
7.231376
8.196249
7.816843
4.906476
4.861064
8.219321
7.541200
6.656163
7.443297
6.710120
5.371212
7.646672
7.932203
5.585452
7.916456
5.384274
7.923658
6.682409
4.796609
5.237175
6.736122
5.896252
4.955550
8.694189
6.922285
6.155049
6.089129
7.397153
5.084826
8.604465
5.066881
5.322748
6.872234
7.378597
7.220878
5.486938
7.028367
7.332331
6.376492
7.547670
5.373531
6.108905
5.499756
8.681616
7.588443
7.918775
5.838267
6.108661
5.678594
6.404202
6.428129
5.641240
6.993576
7.965407
5.843394
6.630039
6.675695
4.921613
8.062944
7.684637
8.413297
5.884289
8.329188
7.542177
8.373989
8.714820
4.874248
5.459349
7.192190
7.444273
8.388638
7.503357
4.887188
6.529328
7.105762
7.114917
7.584780
5.817881
7.380184
6.321802
4.918928
5.601444
7.632633
5.973891
6.989303
7.128590
5.536378
7.377743
7.746284
5.953627
8.322352
5.704230
7.682684
5.497192
6.074114
5.544801
6.704260
8.191977
5.893200
6.990890
8.054643
7.589297
6.803262
8.612156
8.170736
6.802530
5.274041
7.707831
5.341792
6.661046
7.236381
8.206503
6.049944
4.949202
8.463713
6.810327
7.900693
8.916471
8.460768
7.472335
7.592578
9.107028
7.454390
9.211646
5.636586
7.403485
8.408887
7.875301
5.971557
9.326151
5.895627
6.879177
7.423750
8.040712
8.988250
7.837336
5.667714
8.298410
7.858699
5.903806
8.679037
9.022797
9.054781
7.199744
7.553026
8.920866
8.331614
7.701834
6.568499
5.491684
7.912778
6.965728
6.365612
7.810358
7.056185
8.062075
8.117740
9.457991
8.799890
9.096652
8.570025
5.976440
7.761895
5.692740
5.820063
7.222205
5.870846
5.809076
5.716056
8.992035
8.900479
8.268624
8.746788
6.297983
6.683004
6.372570
7.298746
8.666219
5.879757
7.977355
9.155980
7.833064
6.178961
9.405133
9.116672
6.215705
8.799280
6.566790
8.602130
8.530961
8.172796
8.670858
9.132664
8.936857
7.683279
5.891842
7.545701
8.073550
6.333018
8.377026
6.831812
8.377270
9.215796
7.961119
6.461928
6.042482
8.667684
7.970153
6.082156
8.008240
8.974822
8.483718
6.450941
8.341502
5.508530
8.434034
5.493149
8.396069
7.167028
7.916562
9.346660
7.117588
8.995575
8.085391
8.275460
5.874020
7.861873
8.010926
9.326029
6.183355
8.061098
7.871639
7.599902
8.714805
5.725455
5.859249
8.018860
7.938902
6.914212
6.167241
7.457198
6.801294
8.256294
9.442610
9.116794
5.793573
7.025422
7.071078
7.017731
6.799585
5.517930
6.676412
8.483108
6.088015
8.610920
6.202521
8.489822
8.830287
7.374798
7.958800
7.761773
7.515671
7.616504
5.999390
8.480178
8.640339
8.225898
6.215949
7.486618
6.044801
8.202704
8.513871
8.852626
9.275002
7.238807
6.450453
7.691336
9.340922
6.728660
5.709708
7.087558
# Label of molecule (9)
0.810588
# Number of Instances of molecule (10)
3
10.470872
8.934269
9.625461
10.622175
12.547294
9.092651
11.453795
9.132576
10.441012
8.729944
8.548799
10.089912
9.444519
9.893568
12.594931
10.514621
11.681930
10.991157
11.741076
11.650749
12.042189
8.876198
11.101435
9.708646
9.692866
12.379671
10.538472
10.120033
10.626448
11.576047
12.210096
12.012461
12.298479
10.992649
11.454330
10.535845
9.913100
9.860461
8.848939
12.118017
9.891551
10.223608
12.265840
8.703284
9.378949
12.382092
11.566014
9.889968
11.576114
11.616875
12.067204
8.425315
9.704355
11.432396
9.376456
10.729520
8.580209
12.455695
9.665581
8.465959
10.399482
11.877055
10.765822
8.691924
10.673060
9.579420
10.179098
9.454053
10.122954
9.928287
12.330488
9.921810
9.828191
9.736014
8.343883
8.945200
8.438589
11.259266
8.047147
8.990772
8.491595
8.511127
6.054512
6.227008
7.287820
8.034000
10.365617
5.715607
9.698031
7.562366
10.077171
10.191334
8.592103
6.105747
8.368344
8.115767
9.421041
8.846726
9.694886
9.673536
6.817143
7.846251
7.178605
10.580449
8.857891
7.033708
6.388516
7.675524
8.811378
8.208562
7.294707
8.992741
8.586742
8.600874
6.755637
8.689354
7.805968
11.202621
8.026110
8.369972
7.742638
8.595445
6.309292
7.273614
8.016713
9.320541
8.390901
8.341596
8.427099
8.020058
7.936790
7.867940
7.514228
8.288836
6.822684
9.076393
9.848642
11.927166
9.576274
8.660687
10.502262
6.736691
8.733841
9.544260
5.307706
9.819806
8.087956
7.177262
7.366881
9.233832
9.254375
9.924570
6.759639
8.302118
8.513445
7.645184
9.939767
9.746286
10.966153
8.318495
5.987803
6.923586
9.814381
5.929902
7.871139
8.596113
6.530198
8.915159
9.529069
7.356395
6.636280
6.901914
8.354350
7.908780
9.065676
6.064119
6.270302
6.277017
6.415693
6.018220
6.435835
8.702872
8.114719
6.853206
9.564226
9.374401
7.976409
6.787530
7.864101
6.236610
6.745659
9.976226
9.160039
6.387127
7.513138
8.839839
8.067721
8.433454
7.870083
7.292795
7.099307
7.184881
6.681570
9.244514
8.572619
8.057588
9.351939
6.749809
8.200903
8.563707
9.456801
8.181738
7.236274
6.261879
6.617359
8.803583
6.044343
6.544237
6.492965
8.114231
7.982025
9.633930
6.763970
8.341411
8.455428
6.168126
6.983337
6.459273
6.033235
8.743278
6.169958
6.103671
6.489181
8.794794
6.018830
9.761132
8.648549
6.188391
7.603839
9.605976
6.915586
8.898190
7.447584
9.361583
7.355052
6.143590
8.833491
7.559893
8.203101
8.364360
6.234657
6.573290
9.683615
9.405286
6.735649
9.796533
8.003265
8.287454
6.320963
7.350658
6.402509
9.939726
8.905637
8.687002
6.135166
6.267129
9.983184
6.462325
6.252846
8.929319
8.765862
6.064974
7.069765
7.205267
6.692190
9.162481
6.181677
6.319498
8.176244
9.648579
9.914457
7.602985
9.474013
6.363079
9.077273
9.866237
7.542802
6.961486
9.896512
9.357433
6.767266
7.305979
9.002808
9.681906
7.427442
8.756340
7.348949
7.058046
9.784326
9.734153
7.931730
6.282876
9.657247
9.934843
8.193945
8.784906
7.369213
7.563799
7.980926
8.136448
9.933622
7.970794
7.927091
6.403974
8.358257
8.056978
7.146306
6.707083
9.942045
6.831721
7.102603
7.365184
7.438307
6.491989
6.535936
9.004028
8.961180
6.400555
6.316813
7.998627
6.507248
6.336955
5.984130
8.409742
7.704886
7.323527
6.544206
7.932066
8.904386
7.327921
6.280648
8.815027
8.877529
7.297647
7.921934
7.614795
8.761193
6.005249
5.577013
5.788934
6.476577
8.685263
8.337474
8.462966
7.591357
7.327067
7.619190
7.095614
5.112278
6.306772
6.124027
6.418714
5.082858
8.727622
8.292306
6.023682
8.859340
8.847377
6.121952
8.972991
8.942839
5.966796
8.231635
7.808649
5.240455
5.153539
6.038575
8.336253
6.631367
8.177435
8.931242
5.554674
8.712241
8.030946
6.306894
8.111759
8.597125
6.411512
8.353221
5.656484
7.648244
7.539720
7.445601
7.466353
7.010285
7.687429
8.037660
6.721213
6.824244
5.792962
6.918363
6.802637
5.997681
6.536637
7.711478
7.990173
5.402081
5.252541
7.492599
6.931303
7.377361
6.050783
7.397870
7.260903
6.414197
6.526383
5.099704
5.742302
7.892392
8.428541
5.025849
8.309030
5.747917
7.665456
8.194037
8.377270
7.945616
7.021882
5.539781
5.809809
8.630207
8.960295
8.611896
6.900906
7.833796
7.884213
5.508286
7.760796
5.611438
7.237953
7.931578
5.473373
7.482345
8.815882
5.233985
7.402631
8.050356
7.659108
7.332438
7.021760
5.679189
7.912046
8.362865
8.641804
7.097934
5.014985
8.954192
5.412336
6.809717
5.608875
8.993133
8.972259
8.182318
6.523942
8.756432
7.122105
7.090732
8.231147
6.285287
7.896908
8.992523
8.128239
8.877895
6.410535
8.304758
5.038057
6.571551
8.850063
8.963347
8.291330
5.495834
5.992065
7.034944
6.771386
8.964446
6.619037
6.259651
7.294595
8.185858
7.207434
7.398724
5.701285
6.466567
8.265938
6.260628
8.033998
6.780419
5.695669
# Label of molecule (10)
0.822211
# Number of Instances of molecule (11)
3
10.469965
9.124589
9.658168
10.705753
12.289333
8.925970
11.373542
9.214061
10.283752
8.769192
8.638705
10.044515
9.610992
9.952163
12.650195
10.824535
11.300698
10.769845
11.475614
11.764354
11.859412
8.955363
10.637058
9.747352
9.857789
12.319498
10.262224
9.813352
11.157065
11.348471
12.177009
12.060654
11.795319
10.978661
11.777711
10.637691
9.890945
9.928721
8.793808
11.725378
10.026732
10.025926
12.619059
8.480668
9.128030
12.748585
11.422522
9.885774
11.591584
11.595014
12.170408
8.557508
9.826594
11.815709
9.080428
9.431864
7.081378
10.579826
7.717583
7.004156
7.625305
9.171770
8.572641
7.451275
10.348640
7.047888
9.124021
8.754151
10.095438
9.722252
10.920638
8.848808
9.842772
7.996622
6.341097
6.653482
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10.391957
6.875993
8.871323
8.372480
8.901977
7.720660
8.440344
7.274293
8.563589
8.096422
7.528552
9.420483
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10.186554
8.801165
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10.395012
10.414672
5.894011
6.015573
7.591966
11.229061
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5.531095
6.625879
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7.596732
6.011093
7.221851
8.321219
8.288231
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6.406501
6.443074
8.302668
10.878707
8.326835
11.329833
7.702329
6.950099
5.428039
7.208928
8.572046
8.623009
6.900543
10.017494
6.762671
7.033899
8.209873
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8.065812
6.052475
6.319881
11.127816
9.112534
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8.562004
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8.270277
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7.468078
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7.972610
5.804331
8.491424
6.767739
6.517975
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6.301782
6.128193
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5.289666
6.508209
6.584506
9.013535
6.677404
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8.119465
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7.693793
5.890881
7.421445
6.192038
7.144826
5.940931
7.894238
8.243614
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8.557711
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7.685247
8.206137
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6.098651
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6.114399
6.216208
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8.999496
5.570193
9.052599
9.050768
6.547884
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6.146138
6.096332
8.309412
5.992325
8.922224
6.348537
7.094409
7.612980
7.003708
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7.641423
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8.298303
9.040269
6.612827
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6.551424
6.373318
8.242271
8.100299
5.896130
6.341823
8.549165
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8.236290
8.774880
5.445677
8.003372
8.108844
6.140156
7.558901
6.266625
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7.316584
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8.346522
5.429441
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7.593204
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6.182150
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5.415922
7.576632
7.029740
6.112354
5.151143
6.722114
8.724860
7.652196
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8.741340
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6.275811
6.885571
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6.354549
5.120746
6.620060
7.368007
5.143818
7.239586
8.414182
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7.026933
5.168233
7.541475
6.328181
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6.735786
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6.061083
8.626347
5.065935
6.918409
8.356197
7.128132
6.949171
8.555177
5.872234
7.396084
6.138356
8.081652
6.381039
7.707495
8.076037
6.293634
6.364803
6.965041
7.519501
7.706885
7.544527
5.587191
7.816996
6.771065
6.495300
8.765389
6.205496
6.639836
8.721809
7.963118
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5.368191
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6.533387
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5.327174
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8.336055
8.039048
6.169362
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5.077166
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8.798593
5.095965
8.706183
9.012223
7.270959
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8.999771
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7.118854
5.809977
6.966994
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5.290063
6.207205
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8.254631
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8.563967
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8.238273
5.957442
9.020890
7.934187
6.931471
7.603488
8.408444
# Label of molecule (11)
0.616819
# Number of Instances of molecule (12)
5
10.488747
9.018827
9.523670
10.559237
12.424911
9.094864
11.232247
9.367248
10.327591
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12.574263
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11.678165
11.024519
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11.710898
11.857750
9.004058
11.002612
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12.438535
10.668627
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10.931330
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12.428495
12.079709
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11.440084
10.820427
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10.171039
12.661400
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11.566209
11.621540
12.502342
8.073219
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12.652629
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8.969333
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7.608875
6.205023
7.817255
7.498276
8.361583
7.467513
7.955931
8.779931
5.289346
8.159062
8.265755
7.490219
7.037812
5.513596
5.080599
5.325968
7.540513
9.053987
6.277291
6.653523
7.885372
6.311228
8.028565
8.881008
6.174505
7.694937
6.736167
7.416730
5.249306
6.883267
7.019257
6.588824
6.159612
7.115329
8.631245
5.900571
5.248207
5.753960
5.182043
8.997101
6.729209
7.498764
5.540696
8.716330
8.632466
6.621174
6.790735
7.603992
# Label of molecule (12)
0.729397
# Number of Instances of molecule (13)
3
10.497578
9.157499
9.572571
10.450690
12.531052
8.861922
11.461075
9.243686
10.550526
8.773028
8.582334
10.117153
9.403688
9.832558
12.604056
10.760229
11.770673
11.010728
11.646317
11.685501
11.767530
8.925389
10.913458
9.665091
9.910369
12.450080
10.409671
9.919781
10.856664
11.560177
12.458213
12.017963
11.702479
11.318057
11.696881
10.495193
9.995095
10.007414
9.163919
11.673894
10.145250
10.201709
12.523645
8.578099
9.299127
9.406493
11.091546
9.277828
11.181039
11.128667
10.182677
6.603541
9.544988
9.051915
8.312563
9.700235
7.205846
11.123558
8.875111
8.344104
8.002980
10.776270
8.170848
8.772044
10.078120
6.898004
10.471754
7.511209
9.006346
9.663687
9.967591
9.476634
7.490763
9.591475
6.599627
9.086789
9.847617
9.911112
7.499065
7.716481
10.573333
8.331195
7.907052
7.069524
7.559362
8.503254
10.335366
5.420162
9.660146
9.160073
8.782891
8.353685
10.591469
6.520478
9.571425
11.144426
8.409465
6.321718
6.945623
8.261599
6.390956
5.840303
7.596367
11.022802
7.911612
7.985520
7.402364
8.913046
9.987146
7.001620
7.810028
9.961357
7.157619
9.250972
5.933283
6.708272
10.465155
11.391502
8.786956
8.879996
8.313701
8.507563
7.609889
6.886660
7.519581
11.392699
6.988165
8.452142
7.027725
7.153782
10.991946
5.859444
7.961203
5.726026
6.979488
8.817061
8.538559
9.147836
9.772811
9.990069
9.683651
8.867141
7.944233
6.806866
7.233291
8.524143
6.571322
5.392096
9.475171
7.375789
7.663763
9.807102
7.010536
11.633400
8.427607
10.024351
9.723826
8.495953
10.542364
7.317867
7.127067
8.426685
9.588958
7.654294
7.304346
7.963169
7.441588
6.069964
8.267785
7.352229
6.155904
6.940840
7.281915
4.838969
5.188955
7.483947
7.824290
5.879772
6.229026
6.400052
6.407132
8.709326
5.728156
7.369930
5.998306
8.003128
6.541047
6.866375
5.779672
7.890332
8.398160
7.083422
8.680639
8.268517
8.591769
5.857311
5.058336
7.299371
6.246239
5.455931
4.903546
4.959822
5.550417
8.108722
4.942488
6.521149
7.325251
8.154866
7.014084
6.833903
8.302698
8.683691
6.094134
6.292261
5.490234
8.541841
8.344447
7.353328
4.997055
7.582705
5.558962
6.485382
8.695288
8.033158
6.384793
6.421903
6.092547
7.852489
6.689611
7.594058
4.790506
7.958449
7.454894
7.618839
6.904706
5.195425
6.565950
7.716498
4.819071
4.920270
4.875835
6.932661
7.653264
5.079455
4.918195
7.040452
7.813791
5.653935
6.642613
4.996323
7.008103
7.346492
6.548616
7.827464
7.093677
5.385739
8.594577
6.821085
5.137318
6.322535
5.252312
5.896985
6.061907
5.693487
5.088488
5.030869
8.253014
6.427030
5.240715
5.611087
7.501770
7.865673
5.170522
6.596957
6.658605
5.281732
8.062334
6.358913
8.373501
5.759896
6.247215
7.072069
6.295923
8.320887
5.024766
8.540254
8.112018
6.163594
5.257927
8.324671
5.791635
6.899457
7.116993
7.051073
6.422636
8.652684
7.346614
7.773751
7.004440
7.903760
8.431120
8.266930
6.579012
4.950423
8.033769
7.122852
7.071825
6.859905
7.083911
6.527985
8.219443
5.788461
4.887921
8.594821
7.957106
8.543916
7.638981
8.123127
5.643559
7.264214
6.698401
6.665563
7.495788
7.090014
5.028550
6.773965
7.609928
8.701758
8.146199
7.299005
7.943190
5.601199
6.840358
6.218146
6.184332
6.889431
6.229011
7.466597
8.123722
8.911344
5.984375
8.751671
8.877529
5.662709
8.671590
6.136723
7.625660
5.158055
7.165441
7.668386
7.822443
6.660787
5.273415
8.484207
6.315317
7.867000
8.944426
7.790338
5.987182
8.142399
7.436811
7.578417
6.296640
6.690939
5.825312
6.962310
8.091739
8.525956
8.216742
8.004456
7.072909
5.122410
5.051851
6.911527
8.278756
6.623920
7.869442
6.471328
7.969787
8.477859
8.904508
7.606861
7.286538
5.377178
8.898770
7.922544
8.056093
7.381024
6.496841
5.118137
7.120518
7.089511
8.602741
5.144383
7.566332
8.748985
7.073153
4.975799
7.224769
8.161687
5.120823
5.876095
6.822535
6.275155
6.804834
7.030183
6.154546
5.326151
4.980682
7.418867
6.655904
6.414441
5.087497
5.810419
8.747520
5.381207
8.145207
6.745018
6.328867
5.867306
6.337779
6.384655
6.796167
6.425672
6.558611
6.107913
6.956938
8.564165
7.289956
7.718925
5.219337
6.592547
8.194647
6.151006
8.430128
6.149541
5.793085
5.536241
5.734245
8.284371
6.602191
6.517228
7.835627
5.967162
7.108310
6.676656
8.028504
5.906613
7.953185
5.958373
7.379192
6.543718
7.704642
6.956206
8.431227
5.103000
7.588549
5.944578
7.807184
8.572954
8.556841
8.526444
8.086245
5.489364
8.065737
5.773431
7.328166
5.400983
5.941527
8.733482
6.622578
6.887844
6.705466
5.179785
6.035035
5.009980
7.735282
8.477981
5.327494
7.061556
8.638264
6.444594
7.827082
7.502731
7.209632
8.073916
7.817682
6.948881
5.351665
8.005066
7.831111
6.086917
6.329600
6.608295
6.210944
7.398114
6.737327
5.562731
# Label of molecule (13)
0.609916
# Number of Instances of molecule (14)
3
10.367988
8.889225
9.723436
10.630407
12.274467
9.060374
11.234159
9.378591
10.397576
8.917815
8.693652
10.046545
9.616194
9.891912
12.698534
10.618047
11.464757
11.249721
11.487158
11.525997
11.830417
8.904361
11.142262
9.747476
9.769617
12.347576
10.477769
10.120986
10.990515
11.716452
12.285730
11.795047
11.867642
10.893317
11.874005
10.734263
10.024381
9.686761
9.011940
11.872999
10.276959
9.975868
12.309405
8.781789
9.253966
12.717707
11.771511
10.153026
11.746432
11.208301
12.254831
8.373633
9.510251
11.332239
9.518048
10.610597
8.137155
12.282882
9.626161
8.679934
9.937159
12.444678
11.017259
8.966615
10.919558
9.330816
10.281839
9.053673
10.322054
9.881941
11.694982
10.293536
9.869200
9.578649
8.176874
8.669576
9.640771
9.618292
6.726236
10.040321
8.882792
6.297774
7.589062
7.677432
7.200056
6.771563
8.660406
7.212664
7.077927
8.884904
9.868152
9.695811
8.493799
6.602477
10.401867
8.091310
8.058896
6.565516
7.659765
10.677993
6.529194
7.524238
7.361077
8.675889
7.984403
6.357199
6.921984
6.016010
9.809579
6.939730
6.856048
8.910417
5.793390
9.079528
8.628374
7.789167
10.806221
11.304661
10.488607
9.151337
8.966108
6.864941
6.931628
7.401192
7.592604
9.338545
7.291052
9.645378
7.149221
7.833539
9.669441
7.507790
6.555029
6.786768
6.799604
11.613973
9.149813
9.629092
7.721379
7.774626
9.859394
9.346902
7.980342
8.640119
5.386749
9.347589
7.596406
6.370777
8.014202
9.998862
7.551861
7.929204
6.007326
9.367354
6.968259
7.626920
8.437683
8.334970
9.356285
5.937224
6.778687
6.017798
8.652524
7.225884
7.990177
9.172095
6.210990
5.637730
7.313562
5.861858
5.505768
7.618992
6.422300
8.461058
7.787942
8.297845
4.911634
5.274316
6.730537
5.628452
6.256645
6.164846
5.651646
8.009629
6.702216
6.770089
5.716956
6.621525
5.291650
5.678991
5.509674
6.787301
7.446867
7.070269
7.842509
8.731941
4.980239
6.186209
7.686499
6.115040
5.410550
5.018204
5.093158
8.712409
5.458403
7.577609
4.982437
5.619419
5.596347
6.127125
7.673559
7.355922
8.529542
7.749733
8.033311
7.240806
6.479431
8.626347
7.115680
8.418210
8.149037
5.401273
6.169729
4.905164
6.241264
7.008133
6.888745
7.039018
8.408322
8.330439
7.776833
7.696631
8.504395
5.074969
8.508179
7.664281
5.019425
7.230674
8.152821
8.528565
7.566744
6.486755
5.145039
7.467986
6.299860
6.989090
4.869030
6.315973
5.135640
6.806345
6.736030
5.273949
5.655675
7.482025
8.629521
5.647008
6.562929
7.047807
8.591922
7.978133
5.567415
5.872600
5.629185
5.955489
8.578372
8.722785
7.507416
6.469543
5.073260
8.407712
7.415128
8.191885
6.524720
6.387143
5.370510
5.053240
6.753975
7.713965
8.243889
6.995682
5.091815
5.688025
8.272210
8.371578
7.217246
5.595859
5.942305
8.367428
8.551515
6.911206
5.114887
5.825724
7.081988
5.331690
6.266411
4.839976
6.490783
6.026780
5.722816
5.498688
8.462645
5.470855
6.760689
8.151601
7.047563
5.237449
6.450621
5.575961
7.953597
7.130573
8.117664
7.415860
5.643956
5.024430
7.293664
7.268395
5.113788
6.792673
5.037126
4.795541
5.221580
5.694739
8.496094
5.233177
6.450743
6.601016
8.585696
8.673589
7.975326
6.427671
6.661199
7.496551
8.864849
9.133534
7.396420
6.631260
7.170095
5.683844
7.644230
8.628880
9.134632
6.896161
7.771920
8.752663
8.053667
6.706214
7.309748
8.306482
7.526795
7.845286
7.272149
6.679357
7.457213
6.035905
8.857036
7.758248
6.168477
6.963057
8.449187
7.549745
6.513581
6.392239
7.802927
8.389126
7.850536
5.811655
8.280602
7.109302
7.761177
5.972671
8.019242
6.546663
7.386288
6.704260
6.903485
5.757210
8.253502
7.374691
6.217063
6.318506
6.471709
8.377773
7.849315
6.093402
8.168661
8.017167
7.931471
5.828623
8.044511
7.163991
5.777596
7.965407
6.918622
8.063066
7.005295
9.034776
6.143086
7.662175
5.710822
9.015000
6.758583
7.840526
8.574190
7.024461
7.266900
6.910077
5.768563
6.725257
7.896558
6.765297
7.550356
8.813211
7.234794
8.056719
7.402158
5.967788
7.102222
7.762398
6.607334
5.640019
7.544862
7.533509
9.128407
8.049028
7.817087
7.187918
5.664312
8.765725
7.233818
7.726875
7.764718
9.257317
5.762947
6.250877
6.870647
8.768044
6.236351
7.149098
7.163259
8.909772
6.052141
7.935743
7.089648
8.339930
8.244713
8.111408
6.444975
6.899213
7.796335
7.422788
5.883557
8.586032
7.067186
5.894787
7.734565
6.741249
8.216025
8.012040
8.997909
8.819437
8.488861
7.422788
7.394223
8.120563
6.249901
6.543001
7.345271
7.858348
7.629704
7.432310
6.758217
8.938581
5.664678
8.318567
7.490417
6.823649
5.804941
6.146504
6.367824
8.859355
5.663701
7.524964
5.634281
9.435057
6.883953
8.446379
7.704779
6.357326
6.996994
9.155507
9.098498
7.808176
9.149403
8.541963
6.426298
9.264031
5.569948
8.430631
# Label of molecule (14)
0.789705
# Number of Instances of molecule (15)
5
10.466490
8.909950
9.662203
10.763555
12.413364
9.093452
11.343982
9.350118
10.382698
8.662855
8.639899
9.931266
9.511561
9.789569
12.516811
10.481857
11.871760
10.966612
11.399129
11.740307
11.809745
8.671838
11.250429
9.765997
9.469778
12.232908
10.459385
9.750687
11.120589
11.757792
11.992482
11.878806
12.273585
11.157947
11.813058
10.620887
9.793795
9.715813
9.125858
11.559573
9.891157
10.358143
12.315154
8.981615
9.209687
12.260080
11.572153
10.257823
11.421619
11.365996
12.597047
8.451581
9.720690
11.733569
9.215571
10.878218
8.316276
12.614055
9.849863
8.194205
10.117157
11.912648
10.862782
8.683666
10.910890
9.158048
10.154113
9.057442
10.432472
9.988162
11.981608
7.796750
9.918408
9.542614
7.526587
8.500816
9.406256
11.592801
7.429650
9.230368
7.923168
8.417151
6.715995
6.281520
6.723599
8.624677
8.036878
5.967495
8.293711
7.924558
10.583843
8.426134
8.898311
6.452787
9.502544
11.644824
10.305421
8.179527
10.033848
7.715774
8.263922
7.389907
5.658549
7.845077
9.290285
5.644760
5.992368
6.360280
10.729442
7.120192
8.531303
8.355918
8.513651
11.487896
8.043571
8.158853
8.235051
9.377202
7.719799
9.174039
7.165564
7.696517
6.414271
9.461431
5.692613
10.576560
9.562988
9.074939
6.680751
8.022800
9.755380
6.287621
8.677128
5.993400
7.441085
9.599392
7.750943
8.441410
6.474771
9.473692
9.241095
7.004016
8.200179
8.558639
6.853677
8.917712
7.519487
5.843160
10.997504
10.718137
8.862085
8.263291
5.904360
11.563376
6.580472
9.362640
9.773961
9.480054
8.305007
8.269752
8.735944
8.288528
8.162777
7.743533
10.148320
8.347922
8.778909
8.182943
5.617191
8.626316
5.871715
9.028672
6.513703
7.207572
5.830454
8.221274
6.102191
7.074511
8.431486
8.989364
6.647130
6.117939
8.478851
8.380215
5.903088
8.600925
8.219932
7.801950
6.494903
6.868816
6.033464
5.370968
6.009049
8.552217
7.768136
8.939314
9.171499
7.136525
9.102405
6.674474
5.484741
7.774361
7.304010
6.072771
5.703375
6.214133
6.763222
6.274194
8.517792
8.722388
8.673681
6.557527
6.825602
6.870891
9.236564
7.891919
8.964461
7.069262
8.764138
6.415555
8.278405
8.711402
8.056108
7.721381
8.397916
6.816080
6.424589
8.820902
5.604129
9.034776
5.742073
8.663060
7.654607
6.900555
6.888714
6.083636
6.444609
7.194998
6.972091
6.058245
7.880566
7.306940
7.696234
9.135121
8.337489
8.459075
7.253349
8.923566
9.079211
6.675329
6.114643
8.510956
6.013199
7.367244
7.094531
8.685156
6.157369
7.410825
8.062090
6.836222
8.192099
6.591952
7.677679
7.413266
6.472930
8.293054
6.527497
6.810221
7.880932
7.297296
8.030229
5.556764
8.881207
8.585421
5.494140
6.689734
6.170064
6.998703
7.696356
9.177358
8.281701
7.644963
5.360591
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5.530396
8.921613
6.909345
8.683203
5.665410
8.030839
5.863048
6.390774
8.609958
6.861736
8.263634
9.064928
7.661931
6.114765
6.496490
8.876446
6.530671
5.543703
7.885815
7.628483
7.585025
6.189352
8.437712
8.064409
8.685888
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8.107501
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6.036271
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9.011582
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6.772866
9.229362
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8.317957
6.403836
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6.947829
5.141133
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5.919233
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8.477050
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5.284204
5.443022
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5.955855
5.302026
7.356410
7.829691
7.014481
6.076708
5.628819
8.025620
8.644536
8.194693
5.520783
8.428098
6.588931
7.921613
5.414090
7.935774
5.448759
5.172872
6.814280
6.754463
7.791849
6.632023
7.534516
7.606052
5.128315
8.392697
6.933058
6.897778
6.630070
8.499268
6.080615
5.227805
7.465300
5.760903
7.733009
8.601321
8.626347
7.214316
6.982376
5.732459
6.124439
8.608402
5.464141
4.808359
5.427152
6.289972
7.993393
7.087725
7.012040
4.860485
6.505066
8.710578
6.913404
6.982864
6.175344
8.094836
6.135670
5.710242
6.596622
6.293023
4.808969
5.715003
4.882580
5.685339
6.963088
5.789346
5.577425
6.383114
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4.995743
8.246208
5.718543
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4.840342
5.617344
8.195914
8.097034
5.844035
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6.888623
4.952162
6.381405
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5.709632
8.757210
8.465819
4.800424
4.913953
7.118122
5.571932
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5.895306
5.410306
5.705603
7.909040
7.022904
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8.428343
5.577059
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7.200400
6.533876
6.545595
8.120106
8.495239
5.187155
8.136708
6.735420
5.908124
7.898541
5.487701
7.080401
5.389431
8.707770
6.972243
5.057512
6.497620
7.956404
8.488891
5.420804
7.449675
7.018632
6.491638
8.379269
6.100635
7.369716
7.638157
7.472503
5.728919
5.364650
6.929762
5.096576
8.500488
8.102893
8.219108
6.052049
5.487091
5.753945
6.959059
7.490326
6.116626
5.719398
5.069964
5.634068
7.925031
8.004868
5.798135
5.646641
5.489654
7.222587
7.617985
8.492035
5.020859
7.080126
8.464446
6.333277
5.560060
5.723395
8.452361
7.394833
8.867779
8.855815
7.876171
7.925367
6.680944
6.815470
5.057604
7.442808
6.052141
5.209708
8.732765
7.083544
8.653294
7.322810
5.741829
8.162923
5.072008
6.671789
6.900678
8.320276
5.976333
6.086566
7.925855
6.626743
6.018693
5.687506
8.289148
7.028001
6.360500
8.137165
8.877667
7.497375
7.685980
7.539857
7.333430
8.276574
7.585513
6.365383
7.946974
6.575716
6.179464
6.770791
8.981063
7.110034
5.860485
8.695288
8.299158
7.847850
5.026597
5.103748
6.174093
6.343410
7.683050
6.754799
6.150166
6.031999
8.785257
6.865032
8.835673
7.859569
5.198843
6.048967
7.500427
6.624912
8.153523
7.906079
8.352382
5.406003
7.060961
5.630985
8.369350
7.449156
8.578951
6.024430
5.559938
6.892132
8.788919
7.274224
6.529939
5.699835
6.368191
8.887310
6.227317
6.185446
6.628330
6.144063
8.743141
6.491607
8.295984
7.451598
8.040727
8.409268
6.910443
6.969893
5.491333
8.905377
6.714637
6.886883
7.088183
8.738746
6.911298
5.716926
5.214469
5.534791
6.163594
6.997238
7.844066
8.698340
7.210990
8.758400
8.042802
7.534486
5.478637
8.142537
8.653294
5.958510
7.553285
5.546388
7.031663
7.165090
7.401547
6.660924
6.715857
5.632817
6.204978
6.785318
8.896832
5.841563
7.688665
7.790231
6.570956
5.074084
6.814982
8.102618
6.247215
7.679510
7.721503
8.090411
8.081866
8.172201
8.774270
7.220511
5.320795
6.541902
6.614902
7.364559
5.919446
5.150136
5.074206
6.628819
5.218131
6.586337
8.827494
6.081927
8.547578
5.605274
8.486221
8.160772
7.119114
8.147710
8.555437
6.436354
8.175054
6.491409
7.955931
7.953856
5.764702
5.929258
5.246620
6.181341
6.849940
4.958037
7.571642
7.136814
5.757744
5.272622
5.217933
8.471450
7.531358
7.282449
8.228889
6.513749
7.023530
5.527512
7.946287
8.650533
5.606861
8.367443
8.357677
6.417432
5.376995
8.318613
6.123234
6.677084
6.721763
7.414899
8.157476
8.256355
5.133335
7.967284
5.639454
5.421186
5.137730
5.096347
5.330485
5.561449
7.216041
7.413678
5.068148
6.461745
5.592822
6.225898
6.317576
8.533464
8.767113
7.638539
6.650594
7.382672
8.660298
7.931516
5.031037
6.088809
6.256050
6.584674
6.779260
8.570086
7.608264
5.326456
5.090121
5.407758
6.089541
7.579699
5.983215
5.509445
8.759178
6.682577
5.554857
4.980377
6.720542
5.256874
6.412305
6.582354
7.348857
6.100528
6.160588
5.153356
8.257942
4.977691
8.821070
8.362926
6.886319
5.683035
8.052370
8.177862
5.575243
7.753777
5.053255
8.415174
6.012879
7.205786
6.018983
7.754997
4.921293
8.668111
6.026917
7.589709
4.861232
5.289834
8.228278
8.083987
8.028199
8.797510
5.217811
5.820612
6.915616
6.073183
7.460189
8.408094
7.721427
8.634297
5.644093
7.422590
8.370373
7.383160
7.842280
5.062288
7.029267
7.008271
6.350902
7.887204
6.989593
8.407361
7.083590
7.019501
5.791803
5.508591
8.394787
6.180242
6.466872
4.866482
6.208808
4.937529
6.770714
6.405347
8.327647
6.538896
8.284433
5.685965
6.793298
5.706473
5.258217
8.071780
7.181372
5.767510
7.071993
7.167211
7.696890
8.495254
6.187078
5.905820
6.952361
# Label of molecule (15)
0.765347
# Number of Instances of molecule (16)
3
10.635941
9.059849
9.466545
10.612214
12.451736
9.122288
11.209611
9.325083
10.556295
8.926483
8.642389
9.814069
9.571070
9.746404
12.723447
10.766900
11.729839
11.018039
11.575402
11.584540
11.902716
8.991153
10.954976
9.479831
9.584357
12.454204
10.542507
9.730154
11.004701
11.580539
12.404104
11.814222
12.063392
10.966489
11.734561
10.666399
10.197921
9.916075
8.964474
11.536763
9.867570
10.521940
12.576675
8.990615
9.372349
12.079617
11.625925
9.841690
11.734554
11.855636
12.501734
8.163260
9.576247
11.332962
9.488120
10.703274
8.621787
12.397931
9.540994
8.200725
10.342760
12.473927
10.529849
8.684900
10.904850
9.409349
10.138404
9.520090
10.304386
9.989584
12.074392
10.128513
9.948563
10.118979
8.498443
8.890138
10.468070
11.435112
7.267344
8.340923
8.162584
7.381130
8.708911
6.716825
6.563673
8.750033
10.194788
7.022960
9.706500
8.259159
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8.237266
10.098748
6.460780
8.941653
10.069654
9.857407
8.756035
7.213384
9.093531
7.344743
6.233985
7.420785
11.313734
8.919580
8.279130
5.591141
6.370938
10.738379
6.476934
9.800521
7.393425
7.161718
11.156211
8.055275
6.843960
9.567337
8.123965
9.569792
9.777666
6.492951
9.543603
6.706495
6.790211
5.699431
10.271466
8.936255
7.560295
5.750935
7.293909
10.312997
5.719255
6.871084
6.549700
6.166643
10.893285
10.204894
8.806186
6.711846
7.523686
10.591504
7.326333
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6.704182
6.176612
8.853324
5.903664
6.303529
9.041586
10.409067
8.050899
9.348877
5.290531
9.222106
7.546146
8.125629
8.661816
7.660177
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5.648078
7.757618
6.744352
8.478144
6.334997
6.803710
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6.346583
8.205527
5.472655
7.925367
7.301325
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6.577303
5.884899
8.549165
9.061144
8.383511
5.805185
5.577883
6.099628
7.343562
8.970931
7.482360
6.503815
5.530885
6.753334
6.365383
7.658879
8.585055
6.846232
6.294946
5.407102
8.898053
6.899823
6.690466
7.396664
7.919019
7.928907
9.013535
6.641758
5.451048
5.868297
5.638432
8.668798
5.813852
5.653691
7.777779
7.623112
8.750343
8.198202
7.337092
8.711768
6.948531
6.644688
5.574465
8.357753
6.058000
6.265770
7.440733
5.439207
9.071520
8.386807
6.472198
6.990524
8.949080
8.707373
7.115284
5.738899
7.360530
6.397244
5.354854
8.851543
7.419126
6.339747
6.522126
7.269463
6.282250
6.898358
9.157338
9.002304
7.495178
7.583071
5.802377
5.757576
6.950972
8.988754
5.598514
8.283532
8.343837
7.382382
5.562014
7.794748
5.988296
8.314905
7.416929
6.861492
6.881512
5.629398
6.855388
9.133656
5.882580
6.244285
8.104205
7.275201
5.883557
7.084521
6.669958
6.485870
8.848613
8.536103
9.139760
6.982833
5.593509
6.798868
8.910749
6.818400
6.185812
5.513306
6.725135
8.409024
6.832560
9.035630
6.884564
6.150044
7.139210
5.735115
6.018815
6.491485
5.608646
7.692328
9.284783
5.849254
7.257744
7.168142
6.869671
5.728278
7.226493
8.222983
5.674688
6.430326
8.253868
5.858654
9.052355
6.723914
7.896313
7.059252
7.473449
6.850017
5.362911
6.104633
9.000595
6.237205
7.843577
8.533052
8.438688
9.305414
6.203024
8.127033
8.042558
6.727332
7.918409
7.297540
8.652440
5.529542
9.133412
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8.134968
7.401181
5.704352
8.250084
6.004288
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7.108234
8.771126
7.139973
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7.188192
6.194754
7.078692
9.034440
5.356349
6.657292
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6.140675
7.446257
6.744453
7.356044
8.138905
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7.232505
6.093432
7.204184
7.042924
8.925428
7.269494
6.870434
7.460417
8.047227
9.012711
7.838481
5.932783
6.612980
6.362362
9.011002
7.902814
7.455901
8.594241
6.536317
7.770608
8.916028
5.566561
5.899701
6.096240
6.177175
6.748482
8.100330
6.169973
7.629490
5.800089
9.289331
5.824137
8.626347
5.584750
7.244224
6.361873
7.019120
8.484375
6.054247
6.479064
6.836985
6.895093
8.390622
7.052690
6.492492
6.778146
6.738838
6.671697
5.883709
7.139241
6.966994
5.784585
8.771371
8.313227
7.603732
7.340297
6.803171
7.928694
8.203726
7.794656
5.562899
5.427152
6.172536
6.360286
7.016556
6.011399
7.429655
6.373592
8.732551
8.899060
6.279107
8.653447
6.250908
6.755562
7.869976
6.726508
6.974929
9.182760
8.614261
7.797098
5.961592
9.134785
7.942854
9.331080
7.986190
9.141987
6.772164
7.133992
6.253838
6.211478
6.055956
8.796884
6.135914
8.284661
8.798471
8.381466
8.304437
9.122456
6.903638
8.225822
7.639012
6.496887
8.235588
7.740211
6.283990
6.561953
9.263939
9.070696
9.227317
7.277917
8.671026
7.504608
8.778695
7.767312
7.294885
8.494507
6.321345
8.473754
5.782998
7.171834
5.711829
9.002213
9.332179
8.230461
6.703070
8.512085
6.888379
6.050584
8.766488
7.541841
6.185110
6.940626
5.686804
8.136708
7.988998
5.371242
9.306421
7.156941
8.934706
8.076037
6.791452
7.641331
8.318476
5.894940
5.798502
7.098346
8.229118
# Label of molecule (16)
0.819890
# Number of Instances of molecule (17)
4
10.588571
8.900259
9.503450
10.664969
12.451335
9.025405
11.207222
9.114781
10.570636
8.931221
8.634944
9.855919
9.481371
9.863873
12.419948
10.750664
11.486156
11.122332
11.570276
11.611252
11.767940
8.896344
11.149322
9.754441
9.700892
12.329006
10.577394
10.159693
10.871240
11.646957
11.956479
11.789158
12.294167
11.366967
11.212335
10.636628
10.157538
9.667222
9.113165
12.066638
9.739895
10.079732
12.354850
8.778646
8.877675
12.223417
11.186146
9.997630
11.855720
11.732086
12.705946
8.170462
9.588224
11.856016
9.186978
11.033147
8.177112
12.555205
9.478437
8.579366
10.266941
11.992352
9.511629
7.991816
8.703950
7.818210
8.965109
9.373443
7.720045
8.452729
10.508846
8.415918
9.772117
7.656919
7.153546
7.316717
8.196914
10.573310
7.229999
9.018889
7.287487
6.650409
7.285152
5.585486
8.587056
5.936426
8.542012
4.944929
10.347765
6.931228
7.863678
7.422558
7.920680
6.066770
9.520233
11.325673
10.494428
7.920335
9.642186
10.581965
7.666817
5.952812
5.353409
8.326700
9.894471
6.421228
7.032185
7.294253
8.742789
6.132122
10.103472
9.333492
6.135325
11.692825
8.422463
8.235177
10.564518
8.682242
10.777089
11.303367
6.215242
7.369187
5.965437
6.299739
6.576107
10.488122
9.299452
9.123777
8.280078
9.478578
9.763823
6.797638
7.513273
6.299163
7.357482
10.777705
9.930811
9.218065
8.669998
8.279754
10.195797
8.389856
9.661511
9.179482
5.909227
7.831448
8.283473
5.708666
10.084543
10.187090
6.910315
9.269736
7.651192
8.352429
8.236424
10.616089
6.846361
7.633865
8.827934
7.341411
7.699874
7.048017
8.119603
8.977711
9.625596
7.978505
5.271477
5.488525
8.351894
8.160970
7.547670
6.287133
7.722236
8.601169
8.590548
7.651799
5.622684
8.164388
7.742134
7.185720
6.759438
7.450255
5.201773
5.887707
6.836222
6.880291
7.281426
8.237632
8.118000
8.419889
6.371853
5.773568
7.644353
7.980789
4.995224
6.037126
6.464141
7.377132
7.317927
6.760659
6.270775
8.711890
7.499939
5.170400
5.809458
8.067705
6.254540
6.284448
7.433287
7.377377
4.994980
8.074664
6.182882
5.349605
4.940779
7.373592
7.764718
6.323756
8.560884
8.397183
7.801950
7.928907
6.727088
5.759407
6.735267
6.424223
4.954573
7.855541
8.745338
8.592380
8.102008
8.485443
7.074877
5.063341
4.907941
8.596286
8.124104
5.943007
7.739204
8.016068
8.694189
5.621220
4.923200
5.054552
6.754189
5.634281
5.043931
7.846873
8.107013
6.457915
6.570956
7.313532
5.327876
5.104114
8.201132
7.613468
7.352229
5.397946
5.286004
7.963698
8.085894
5.809458
7.720405
7.700995
8.415250
7.714545
8.665380
8.462004
7.989090
4.960677
7.484558
5.353389
5.150258
5.613651
8.264122
4.991684
5.390255
6.756264
5.295404
6.283105
8.702124
5.219352
4.892682
5.821665
8.206503
5.116321
6.921674
7.779855
6.427519
5.057237
7.414365
8.165242
5.590457
5.918104
5.644658
5.320429
6.318384
6.039201
5.040635
6.540071
7.102710
8.729225
7.306085
6.678503
6.921796
4.947493
5.129749
8.627537
7.383236
8.042802
4.854350
5.532838
8.763649
7.419736
8.482513
6.631626
8.323572
6.011734
6.391873
6.577914
7.269097
8.432585
6.139180
8.139119
6.738563
8.682958
8.721778
6.132099
7.185598
8.286706
5.677374
6.477935
8.743736
8.597369
6.853298
8.439772
7.356853
6.927030
6.749168
6.045045
6.604144
8.671224
6.229865
9.094577
8.020081
6.677389
6.288949
7.060091
5.838862
8.551225
7.908750
5.778069
5.984741
5.787957
5.733634
7.092807
7.522385
7.147984
8.142644
5.929930
7.943297
6.147465
8.093326
5.675649
7.664113
6.543352
7.116123
6.734519
7.109165
7.683279
8.831874
5.141820
7.755547
5.599963
8.366283
8.106876
6.513443
7.720756
6.040040
7.359050
6.817164
9.070772
7.705374
5.175878
7.802423
7.842341
8.107242
5.963866
6.944731
8.207831
7.642384
8.269723
5.533555
8.247627
6.892361
6.096438
8.357128
8.872524
5.304666
6.399060
6.973174
5.611682
8.397168
7.634693
5.941893
7.144078
5.860836
6.242561
5.392682
6.445570
8.936857
7.928770
7.303751
8.429884
5.441023
6.630390
6.865993
7.955138
8.812586
8.035218
8.309885
6.073855
7.560228
8.529252
6.565935
6.399792
7.483200
6.451430
6.137944
7.466597
9.039399
8.526200
6.561296
8.953459
8.237373
8.350658
5.822382
7.654225
7.427412
7.813166
7.114048
9.062227
8.364940
6.314951
8.301584
6.448134
5.923215
8.671957
7.475509
5.304788
6.829249
8.571245
7.964415
9.034394
7.797784
6.457533
8.184027
7.751885
5.438826
6.724143
7.697317
6.082400
8.315012
9.083346
6.860866
7.824641
7.519333
6.991729
7.431318
5.355693
8.154973
8.005188
7.508469
7.655202
6.085208
8.938688
6.188726
6.819727
8.334788
8.705649
7.305704
8.945402
5.511948
7.711600
5.629872
5.252052
6.631123
8.678671
8.906217
5.325907
8.707724
7.772881
7.100497
8.352123
7.501755
6.913602
6.234138
6.216559
6.124775
6.296411
5.454100
8.827128
7.728950
8.131916
8.180502
7.042772
8.665136
9.061144
6.180074
6.958785
5.353267
5.752327
8.537202
6.418119
8.350307
6.712561
8.659032
8.638524
8.573214
5.966689
5.559938
7.278130
5.734870
5.729255
5.291742
7.681585
8.365444
5.942518
6.898724
5.180044
8.792947
8.557833
7.270074
7.321345
6.462554
6.432890
5.267205
8.904157
6.964522
8.722510
7.497986
6.692785
6.149312
8.635594
8.115192
6.686438
6.703040
5.434568
9.013535
6.817179
8.559542
6.552644
8.799783
7.954176
8.522187
5.701788
6.911298
8.086138
6.472930
6.849651
7.258110
8.559908
5.541993
5.937513
7.763619
7.246635
7.612369
8.215415
8.178426
7.515687
7.536927
5.070299
6.542756
5.884899
7.440245
8.220664
8.672582
7.227958
6.481964
5.153310
9.043199
6.410672
7.455626
5.677984
7.447447
5.231315
7.599307
7.473449
7.802194
7.542055
6.991134
6.501129
7.477111
5.423215
5.906018
8.161092
7.523377
7.289483
8.509613
5.064196
8.174642
8.798318
8.260460
5.298822
7.997391
5.440184
8.401212
9.061388
7.063768
7.682684
8.908673
5.531739
8.524140
5.542970
5.280267
7.865429
6.951216
7.468322
6.532136
6.176168
5.834727
8.392056
5.782113
8.388272
8.597995
7.847728
6.794473
8.829081
5.513428
9.011338
7.860057
6.439604
8.891827
7.547914
6.387722
8.477508
6.919233
5.139271
5.581668
5.586306
8.518525
8.564913
6.579745
6.108173
5.607913
5.213370
7.426817
7.512268
5.134266
7.898267
8.260949
8.816752
5.254021
7.853832
8.083453
5.877087
8.037675
8.785379
8.491302
5.416990
7.072558
8.848613
5.744758
7.676214
# Label of molecule (17)
0.680769
# Number of Instances of molecule (18)
3
10.633306
8.900905
9.564856
10.458301
12.514354
9.033272
11.328535
9.215284
10.489726
8.671926
8.738020
9.843089
9.334152
9.784148
12.446524
10.605676
11.692045
10.966469
11.720299
11.566875
11.951812
8.878484
11.088031
9.664654
9.760544
12.219358
10.637385
9.879810
11.044863
11.341775
11.954902
11.735458
11.965029
11.464280
11.638267
10.983840
9.650845
9.712200
9.227435
11.863580
10.288368
10.550917
12.244112
9.027523
9.267608
12.480684
11.178631
9.741969
11.930019
11.865256
12.624413
8.326525
9.686471
11.809002
8.629845
8.520765
6.936931
11.853316
8.496136
6.527032
7.866752
12.364101
10.577090
6.729898
8.277433
8.443649
9.973988
7.014957
10.164007
10.235487
9.826001
8.425048
9.003118
8.276783
6.294875
8.300804
9.070156
9.509956
7.025585
9.393367
7.738797
8.104324
9.081173
5.510471
8.456217
6.565022
11.267693
5.752491
8.217718
8.496056
7.424771
8.084052
8.816111
5.713613
8.726223
8.829012
8.563992
9.159851
10.119738
8.752550
7.109044
7.608720
8.147993
8.809857
7.454153
6.179114
7.704123
7.217637
10.015580
7.724940
8.558597
7.998271
7.425195
8.202950
5.775775
9.409462
7.451379
10.071573
9.340742
9.809717
6.847029
8.008031
7.003587
6.832632
6.739446
8.225462
9.297111
9.306590
6.966285
6.451145
8.942144
7.153372
7.455664
6.852192
7.503192
8.143327
8.572309
8.405992
7.356215
8.345272
9.286916
8.319285
7.788648
9.154403
7.768816
9.450478
6.589198
6.209134
9.784528
8.175135
9.058440
8.674258
7.388676
11.393456
7.222087
7.895394
7.804169
8.531924
10.495969
6.169844
8.563014
8.395828
7.680675
8.785062
8.992211
9.001731
8.339808
5.731697
8.961653
6.592441
6.785318
8.086261
8.087725
7.498718
8.223350
8.103473
6.154805
6.380032
7.441343
8.205893
6.991623
9.048692
6.383938
5.840953
7.229301
8.300501
7.426572
6.482940
6.710974
6.819254
9.139027
8.282067
8.581637
7.165944
6.419340
6.738319
5.931410
8.229209
6.867595
5.773446
5.869762
5.512452
9.277459
7.575503
7.904248
6.631382
8.120319
7.593204
7.497497
7.397397
5.896619
7.052416
5.681158
7.861522
9.228751
5.372188
7.597964
5.695563
6.571200
8.853618
6.848674
6.283227
7.414243
6.016617
6.519318
6.896893
8.852519
5.961806
5.762337
6.336451
5.397946
6.128925
6.808145
5.402829
7.908521
5.830088
7.280938
5.583499
7.509827
7.930616
8.694189
7.323298
6.383450
9.053819
6.000992
7.256157
7.298151
8.683569
9.074450
7.773507
7.757027
5.541627
8.991562
6.302393
6.638462
7.612003
7.998123
5.670904
9.203482
8.189047
6.027726
8.933454
6.344020
6.324488
6.650548
8.032304
5.951308
8.048296
7.326228
5.670537
8.273766
6.735878
8.837626
7.770211
7.143117
7.001755
8.778298
5.891980
8.942854
6.488800
5.969985
6.990280
7.193655
7.933180
8.685278
5.879772
8.631321
7.875927
5.548219
5.787606
8.650731
6.399442
7.992386
6.366604
7.993851
8.261681
7.146046
8.544282
8.553194
7.803171
6.023453
7.582827
8.168905
8.004105
5.895642
7.725410
8.291589
6.063372
7.715155
5.802988
6.388333
7.876782
7.471496
9.176992
6.966353
7.788522
6.350734
7.393246
7.086718
7.990921
6.574984
6.921918
6.248070
5.947768
5.795785
8.357753
8.510346
8.216636
8.918806
7.457213
6.736610
7.043016
8.976836
6.254952
8.860866
7.700919
7.969848
7.930418
5.538377
8.548112
7.885250
8.461196
5.789850
5.689383
7.184545
9.393475
7.433821
8.745506
7.723991
7.664296
5.508225
6.273141
7.074068
8.713157
6.602374
8.153203
6.081484
8.990509
7.617420
6.814539
5.548631
8.240852
7.832636
8.669576
7.904904
5.934263
9.151524
9.134556
5.744682
6.220283
9.401044
6.612140
9.109409
5.781304
7.562487
8.809229
9.383953
8.959136
5.805719
6.764977
7.688101
8.529313
7.204077
5.966857
5.632862
8.500504
6.002258
5.925230
6.320994
7.310160
9.316446
5.585376
7.462508
5.795465
7.136448
5.950133
6.484573
6.311960
5.509934
7.288308
7.507187
7.374981
7.779534
8.303964
6.061098
8.201056
6.750328
8.641987
9.424238
7.520981
8.662374
6.104434
8.447890
7.043306
7.842280
5.952574
6.753014
7.939085
8.910062
5.670339
7.166601
6.726768
7.414655
8.563128
9.275430
6.929899
5.775933
5.567797
5.972961
8.882962
7.404157
6.649617
8.873440
6.061220
5.876156
9.157750
6.466140
6.308786
8.040040
8.519059
8.890164
6.339915
7.924314
6.641682
7.197729
5.888852
6.328196
7.405011
8.988189
5.883358
8.965117
6.610065
6.281198
9.016755
6.036195
5.765923
5.509445
7.092257
6.109317
9.088046
7.501816
5.517380
7.176855
9.080721
7.334574
9.321207
5.768242
8.082522
5.924986
9.068880
6.993133
9.146275
7.241798
7.051485
8.387707
7.629749
9.007111
6.123478
8.442152
8.874172
8.766991
5.563036
8.682272
7.341166
9.203284
6.331370
8.180059
8.587786
8.562517
6.105777
7.370342
5.450850
8.077761
6.460524
8.045900
5.818781
6.256905
8.571673
# Label of molecule (18)
0.624341
# Number of Instances of molecule (19)
3
10.484336
9.120986
9.521498
10.734877
12.409352
8.983520
11.324641
9.290194
10.450438
8.838324
8.696126
9.893113
9.532778
9.869710
12.731510
10.457775
11.477251
11.076831
11.771879
11.582657
11.816357
9.042020
11.045282
9.549640
9.593146
12.120043
10.799201
10.051794
10.844314
11.626162
12.084810
11.969560
11.868768
11.322862
11.722627
10.700793
10.046369
9.609377
8.879827
12.181442
10.119411
9.989738
12.241926
8.672250
8.922536
12.757761
11.446400
9.915643
11.791140
11.203657
12.394248
8.508586
9.840376
11.778230
8.992690
11.064460
8.571699
12.251610
9.814363
8.340417
10.277511
12.461303
10.468270
8.539357
10.198820
7.347477
9.341698
8.918531
9.803587
9.850795
9.809938
10.296198
7.152891
10.194712
7.286614
8.988172
8.088074
9.447514
6.549213
9.637633
10.929291
6.022182
5.965348
7.688768
6.820018
8.442341
9.403633
5.753788
7.076144
6.822737
9.313572
8.875636
11.131179
7.116475
8.094927
11.377009
7.673155
7.999297
6.981841
8.444819
7.463508
6.192845
6.894420
9.101614
7.390747
5.457667
7.882457
8.944014
9.354522
5.750175
9.439829
7.166409
6.557963
8.829060
6.690670
8.645905
8.317796
7.998476
8.809897
8.756162
6.120946
7.856359
5.737251
7.914986
7.549027
11.281756
8.335273
9.552541
6.194275
6.949549
8.218086
7.171224
8.858974
8.096604
5.559832
8.635625
8.594368
8.416946
9.332514
7.706789
7.332832
7.666396
8.438920
9.498515
7.876508
9.825181
8.760314
6.926404
8.646412
10.254702
6.522338
9.162896
5.689076
10.595254
9.894326
7.711389
9.244103
6.872585
7.440002
5.963492
6.473237
5.759116
10.652551
6.926610
9.732121
8.017001
6.819239
6.896512
5.712882
7.752983
7.820734
6.596088
5.647572
8.707602
5.102023
8.843837
6.441176
8.221747
9.052339
5.369732
6.880520
7.796319
7.214637
6.363903
8.873745
5.871212
6.117191
5.150731
7.307169
7.481368
6.000610
8.795495
6.238777
8.528886
8.819300
7.512009
8.801355
6.548845
5.891476
5.753899
6.192389
7.841487
5.572741
7.857601
5.125095
6.846706
7.327799
5.116062
7.114536
7.635548
6.575091
5.157689
6.975494
7.394330
8.681356
6.504166
7.906064
7.775811
8.477981
7.183020
8.531571
5.991821
5.676748
6.270394
7.285562
7.524949
8.559404
7.238441
7.501022
8.329783
8.313913
5.981567
8.586993
8.403394
8.396191
8.398389
6.667379
8.597736
7.289102
8.402905
6.055055
8.547807
7.035188
7.240394
8.936857
5.594226
5.917600
8.983001
8.643880
8.571123
7.665090
9.079928
5.884640
6.336558
5.554796
6.837550
5.312113
8.921598
5.788812
6.704367
7.802789
5.169164
8.519120
7.234657
7.821223
6.742454
6.895291
6.608051
7.246132
6.373669
6.512467
7.578173
7.031526
8.231147
5.630604
6.725974
8.079775
6.277963
6.543474
6.892850
6.699484
8.498489
6.470840
5.668447
8.025697
6.865871
6.348766
6.808252
6.774438
6.928495
5.893551
7.455611
6.709616
8.886441
7.314615
8.043519
8.195135
6.037233
8.049501
5.751213
7.208045
8.462722
8.899136
6.391003
7.187414
5.832759
5.934690
7.598071
7.094882
5.202246
8.554277
8.201849
7.060335
5.674062
8.062197
8.651204
6.988800
5.805536
7.147252
5.369121
7.503464
5.630604
6.634053
7.913022
8.599445
7.175695
7.883114
5.813227
7.383465
7.341594
7.213416
5.967650
8.947981
7.687811
9.263787
6.597934
8.118122
6.937300
8.270104
6.221458
8.542329
7.974929
8.311121
8.311731
8.203452
6.827311
6.405667
5.478393
5.636723
8.804178
8.927839
7.210501
6.368679
7.595035
5.447508
7.829051
8.004593
9.046739
8.658544
5.806528
8.338954
8.494354
7.765328
6.329981
6.865398
8.522675
8.709082
8.978988
8.059160
6.032365
8.600925
8.397427
8.807962
7.485168
5.744026
5.832530
6.366848
9.204459
8.615574
7.415342
9.211295
5.604862
9.183706
7.058275
7.163259
6.227561
7.937208
5.845592
7.166799
8.454314
8.000076
5.791025
7.085620
6.775918
5.706671
5.836924
5.900281
5.492065
7.014328
5.970717
6.678625
7.714057
9.125111
7.334529
6.693762
7.547670
8.694189
6.200339
7.066698
6.331812
8.000076
5.689337
8.306970
7.805368
8.449553
7.106128
8.125935
9.079211
6.793619
8.767434
7.899854
6.288598
7.430357
6.196188
8.155477
7.799753
6.167867
5.559206
7.454039
5.845103
6.823405
8.220908
9.049669
7.465636
6.033097
6.289575
5.694708
7.630314
7.648625
7.031297
6.970138
5.411863
6.093402
6.025895
7.512879
6.091937
8.056352
6.939131
8.517548
6.070452
7.894726
7.788644
6.886395
7.455138
6.124409
7.575747
8.402921
7.205252
6.370754
9.160268
7.303034
7.705878
8.154622
8.251915
8.620579
5.645634
6.890423
8.394375
7.681219
6.075701
6.469634
7.816599
7.119068
6.521638
7.804880
6.025651
5.792611
6.026383
6.710242
8.017289
7.973586
7.997635
8.493500
5.978652
7.184011
7.733955
8.631932
8.358364
9.057604
5.507202
6.911664
8.177816
7.598453
8.073199
8.401578
8.461028
7.214652
7.487487
# Label of molecule (19)
0.719634
# Number of Instances of molecule (20)
3
10.450990
9.086096
9.710777
10.475931
12.490510
9.138039
11.357333
9.159162
10.371439
8.712281
8.728686
10.026463
9.526252
9.725229
12.678949
10.694867
11.754911
10.970405
11.501437
11.654383
11.810666
8.883496
11.161445
9.352061
9.799727
12.407616
10.199829
10.007700
10.903634
11.607863
12.538094
11.913182
12.274987
11.378230
11.320212
10.939529
9.881245
9.872720
9.155322
11.839047
10.006691
10.309531
12.183300
8.588970
9.293215
12.637684
11.409669
9.921580
11.663681
11.728659
12.425374
8.449851
9.314797
11.367943
9.461522
11.003806
7.743008
12.104646
7.642918
7.850426
8.817982
10.741751
9.674406
8.634211
10.394430
9.580999
7.878069
6.815549
8.598653
9.518399
11.708053
8.083555
9.244324
7.683393
8.599153
8.224324
8.339036
10.701647
6.796076
9.663881
8.334978
5.667368
7.344628
7.051091
6.744433
7.517851
9.647184
5.632107
10.497189
6.139532
9.751918
7.425292
8.649667
7.174496
10.099750
11.166583
9.492770
9.169067
10.025102
8.497948
6.752458
7.438254
7.552830
8.769643
10.198566
8.044653
6.541647
8.198364
8.977223
5.670505
8.245098
10.369464
6.275066
9.354227
6.854129
9.448095
7.871981
10.242544
8.152106
9.828050
7.812376
8.527570
5.674740
9.605893
7.580845
9.799349
8.952753
9.606219
5.791796
9.080762
8.082643
7.347588
8.768157
7.299195
6.412894
7.841736
9.446948
8.619599
8.800315
7.903691
9.539560
7.046937
8.197630
9.728102
8.116568
9.776040
7.331018
6.464021
8.778367
8.437770
9.396777
10.731467
6.284578
10.763602
8.288338
8.758118
7.764192
8.118144
9.660509
7.782621
6.965726
8.273200
8.797560
7.791570
9.202432
8.753227
6.042009
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6.752113
8.029374
6.141377
9.061388
5.907849
7.089160
8.822733
7.908887
8.886944
5.747200
7.324885
8.035234
8.525483
6.586459
9.222770
6.513459
8.076861
7.726020
6.867351
7.829539
8.256798
9.127430
6.007218
7.778268
7.157521
5.423948
5.463134
6.320338
8.903668
7.649358
6.733436
6.775552
6.924848
6.238304
6.403592
8.725684
5.721076
5.677374
6.235618
8.004959
6.994797
7.177541
5.811899
7.150807
8.025834
5.746101
8.609348
5.689947
6.162252
6.032487
6.376980
5.636723
9.305902
7.320978
8.695288
5.575564
6.261010
6.048601
6.587924
6.706214
8.830180
6.220359
9.064928
8.224082
7.522523
6.097919
5.468749
7.410947
8.757790
7.537782
8.503265
5.812754
7.435484
8.350917
6.812540
8.878033
6.747353
8.063433
5.994522
8.430876
7.105762
7.447935
6.915448
7.357112
8.066240
8.206137
8.206137
7.875317
9.114856
9.171865
5.811777
6.767739
9.200064
9.415281
8.472625
6.949141
6.879803
6.618931
6.007828
8.745338
8.962386
9.102649
9.280633
6.257469
5.512696
5.871838
6.716468
8.188559
7.103198
9.064440
8.252770
8.504364
6.179586
9.170766
5.591433
6.306177
6.419706
9.402707
7.632633
8.289758
5.960097
7.585391
7.961867
9.164052
6.364040
7.947829
7.268487
7.406919
9.207022
7.186819
7.566591
7.731635
8.154012
9.179800
9.098132
7.638615
6.405057
8.719825
6.788247
7.429136
7.381649
6.650670
9.132923
9.054064
8.531220
8.774026
8.388150
7.174245
6.123066
6.905927
8.942366
5.806162
8.913068
6.456328
6.740272
7.929273
8.547700
6.906781
6.638707
7.428404
8.588717
7.562563
6.565828
6.747719
7.055330
5.325419
8.860805
5.943724
8.862026
8.015809
5.440046
8.792932
8.953215
6.293100
8.877529
7.900449
5.858516
5.721183
8.502884
6.780419
8.672811
8.481521
7.659230
7.021149
8.418775
8.167180
7.546068
5.450667
6.339488
5.913938
8.679647
7.576220
7.996155
7.241249
5.845698
7.670583
6.043703
8.978973
6.419568
7.884335
8.563555
7.656423
7.927793
6.753685
7.824152
6.726096
8.727256
5.484481
6.346934
5.998535
7.676809
6.382336
7.152501
6.663839
6.676046
7.807917
9.060274
7.272988
7.945738
6.029420
5.918455
8.055971
7.925596
8.349559
6.639302
6.950835
7.664968
7.880184
6.913114
8.718345
5.579699
8.340403
5.476913
6.517106
8.452223
5.253761
7.814020
5.316019
6.547014
7.918760
6.156377
6.516373
8.721274
8.526444
6.669088
7.160192
7.399213
6.803125
8.686605
9.100314
5.291726
8.551347
6.881497
7.504807
5.731071
6.463027
5.235817
6.074221
6.498672
5.582263
5.693594
8.343455
7.019929
5.791375
8.366894
8.444533
8.801355
7.694754
6.171758
6.706442
6.984527
6.276498
6.770287
5.464705
8.892911
6.707419
8.690023
6.457778
5.444807
6.673727
8.499954
5.183203
7.309854
7.605274
5.915036
7.591479
7.681204
7.177160
7.706595
8.489212
7.541307
7.459883
5.290628
9.029023
5.293802
7.091952
6.872829
8.660360
6.638447
7.852596
7.021516
8.915983
8.562212
8.006043
6.546770
8.409497
5.323710
8.795862
5.558092
6.418836
6.304209
6.461684
6.577288
6.431043
5.600452
8.154973
6.580828
9.022187
5.235694
8.127873
6.847438
5.448592
7.862117
6.570330
7.484420
5.324931
8.830287
7.471603
7.509690
5.761223
# Label of molecule (20)
0.692183
# Number of Instances of molecule (21)
4
10.495976
8.980525
9.472343
10.477212
12.324214
9.009803
11.185145
9.144602
10.494862
8.919978
8.721520
10.059979
9.417661
9.739719
12.809361
10.523587
11.778362
10.943336
11.539456
11.426199
11.740653
8.685187
11.077240
9.313568
10.021182
12.091252
10.578606
10.186522
11.096100
11.367914
12.088849
10.712493
10.983145
10.304034
11.798903
10.890089
10.014726
8.777642
7.286705
10.095378
9.186024
8.489127
10.471684
8.299036
6.695683
9.550120
11.516645
10.097976
11.584303
10.845337
10.986919
7.546785
7.115810
11.164748
7.052610
11.116821
8.210120
11.318602
7.585575
8.425866
9.894663
10.221937
8.741011
6.385785
10.938803
9.361979
10.401948
9.238401
8.779436
9.943319
9.189218
8.350688
9.796191
7.412243
8.515233
6.963310
7.864781
9.035087
6.895263
7.244670
7.310750
7.867650
8.147711
8.516695
7.667858
8.880230
11.144553
6.797114
9.710288
7.479079
7.048133
7.725453
9.911394
8.224694
8.248739
10.538815
9.805514
8.524489
9.128976
9.322789
8.053576
6.654193
5.475312
7.684103
9.854298
8.461817
7.058346
8.522424
9.007166
8.670670
7.825687
10.505878
7.536734
10.750129
6.357602
6.542850
10.207064
9.646797
9.113355
10.570443
8.904660
8.998297
7.992204
6.955461
5.554274
9.462139
8.965239
9.301641
7.128444
6.249759
10.108271
5.350931
8.903852
7.518848
6.816840
11.035472
9.912723
8.823348
6.502257
7.574709
8.009637
8.269761
9.603631
7.184022
8.024950
8.198691
6.869398
7.890887
9.737467
8.728380
7.259800
7.178384
7.118886
9.275924
8.562975
8.273335
7.917765
9.390903
8.735490
8.122844
8.580952
7.010748
10.263429
8.310324
8.550441
6.220617
5.807260
6.454619
9.204581
5.306269
6.693152
7.099780
8.241905
6.693884
6.766762
8.413785
5.797494
6.733192
8.202841
6.910199
5.749641
5.272088
7.104541
8.966048
6.658116
7.295831
5.766366
6.757241
9.149037
9.062609
5.772958
5.314570
7.071581
7.544618
5.309442
8.568575
8.805643
8.048906
6.057634
6.263817
9.089953
6.892499
9.052355
5.614872
5.750984
8.007279
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5.578494
5.704230
6.349757
5.555910
5.619755
6.603916
8.990707
7.567202
6.843303
6.516511
6.758339
5.269890
5.368648
7.992630
7.313166
8.202963
7.821848
8.911603
6.525666
5.578982
8.818705
6.476104
9.034776
7.370052
8.316614
6.728553
6.859905
5.349605
8.707251
5.966933
6.944990
7.474914
5.527589
8.433439
8.503754
8.977035
7.662175
6.652013
9.048204
5.538575
8.912946
8.789895
7.968825
7.932203
6.810831
7.415586
6.547029
7.493835
6.546419
6.032487
5.270135
7.808664
5.889416
5.760018
5.327631
7.981643
6.978805
8.537690
7.160817
8.869488
6.852458
7.228568
8.943464
7.648625
8.595920
6.995651
5.865856
8.093951
8.981918
8.326746
9.099841
7.943556
8.478240
8.082720
5.316889
6.724525
7.496765
8.944319
7.638127
7.414365
6.760659
5.632572
6.886395
7.313776
7.662786
6.277245
6.020524
7.504822
6.491852
5.308954
6.622349
8.271081
6.401028
6.249657
6.314356
7.851878
8.993149
6.776772
7.982131
7.909742
5.397946
8.435514
7.675848
7.081835
8.718116
7.374325
6.067278
5.993789
7.714545
8.480193
6.335353
9.108142
7.612247
7.285089
7.357845
6.784707
5.895398
6.023087
7.081225
6.926923
8.972030
8.209677
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7.588443
5.578738
7.367275
6.256035
4.989151
4.724738
8.253899
8.056749
5.612461
5.633213
8.079943
6.137745
5.470977
5.811075
4.913099
7.078814
7.751076
4.714484
6.544984
5.574862
6.389706
6.994339
7.738624
7.670873
4.819102
6.803903
8.061876
5.861980
8.233146
6.162160
5.682409
5.937544
7.752785
6.245781
8.497681
7.441374
4.865368
8.486938
5.975997
5.623936
6.512268
8.349239
7.084429
4.762825
7.199057
6.659978
7.676244
6.724555
8.505249
5.371364
4.715583
8.643315
8.366817
8.626347
8.712653
5.592685
6.507385
8.003403
7.743629
8.124866
6.393368
4.818125
6.434019
6.549989
8.085803
8.353023
5.275658
7.835673
8.367794
6.890698
7.655858
4.995743
6.518983
6.430357
7.971664
4.848643
8.114490
5.955123
8.206290
6.016404
5.220481
8.131703
8.340205
5.041032
5.365749
6.313532
5.973800
6.494324
7.659642
6.723823
6.536195
6.953322
6.433775
6.693548
7.454070
4.718146
4.783700
7.828593
5.657506
5.148824
6.381893
4.982192
7.796121
5.491485
7.940413
5.907025
8.541505
5.073870
8.696783
6.460997
8.349849
4.742317
7.298425
8.244255
8.061998
5.415922
6.460265
7.539521
7.712745
5.632725
7.770730
6.433042
6.926954
7.963729
5.021500
6.990066
6.276666
6.167776
6.435606
7.359096
6.974075
6.966140
6.168630
8.682379
8.274895
6.305475
7.458831
7.684668
7.968612
5.992233
5.800333
7.817606
5.328639
6.565737
6.515198
7.833232
7.899884
6.290338
5.098285
8.662725
5.494659
6.139698
8.711066
5.473907
4.777963
6.647038
7.198569
5.785073
7.811014
8.499512
8.005356
8.506226
7.931501
6.747139
7.363857
4.786874
6.345027
6.507141
7.462844
6.692312
9.314951
7.199042
8.399518
7.684286
5.682272
8.557482
5.907010
6.721610
7.763146
7.576250
6.919980
7.681845
7.385449
5.724143
5.986724
9.029786
7.041688
8.690664
9.001343
5.848415
7.491531
8.366192
9.270760
8.486923
6.637867
5.626728
7.294504
5.700339
8.052828
8.798334
7.629231
6.157994
7.524857
8.675527
8.214087
6.191443
8.006195
8.971313
7.532304
5.662374
7.333079
9.068972
8.984375
7.821375
9.094363
5.956572
7.845668
9.033082
9.023316
8.214087
8.186743
6.245521
7.288278
8.930906
7.127873
8.075533
7.056948
6.427900
5.806177
5.385022
5.708640
7.659993
8.427473
7.227973
7.069643
7.171453
8.778924
6.035066
9.048097
8.483383
5.579119
5.920072
7.041444
8.783929
6.037996
5.974761
7.492752
5.798853
7.001770
8.433088
7.969939
7.717490
9.061403
7.576495
6.144322
9.046632
8.994140
9.257942
6.041658
9.271371
5.918119
8.915403
7.942106
9.193609
6.532151
5.955718
6.303751
5.826441
8.815790
6.378460
6.084262
8.718131
5.566179
7.517167
5.836329
6.579638
7.146428
8.774163
5.950591
7.093936
8.817621
6.220862
6.423872
6.777764
6.034455
6.941710
8.523667
5.774926
7.075381
8.994018
8.727653
8.452864
6.383221
6.860530
7.310862
8.679434
7.993377
8.270363
7.956755
8.655385
6.421186
6.259438
6.766411
6.174230
6.387005
8.351054
7.040956
7.189520
8.750114
6.726249
6.213294
6.559374
8.030366
7.263009
7.302072
5.847438
8.890378
9.316904
9.265145
7.052431
6.952696
6.118564
8.625599
7.143132
9.329356
5.664937
6.747368
8.272805
8.235694
5.975127
7.133122
8.547472
7.067202
8.591296
# Label of molecule (21)
0.527948
# Number of Instances of molecule (22)
5
10.448838
9.093684
9.544445
10.661338
12.531865
8.929847
11.310791
9.144513
10.513762
8.899380
8.693110
10.009853
9.455761
10.005680
12.558541
10.592111
11.458665
11.078824
11.800178
11.614378
11.773792
8.842040
10.686071
9.482271
9.519143
12.246464
10.503663
9.930406
10.741781
11.966757
11.989393
11.748086
11.783000
11.089418
11.403932
10.646486
10.199746
9.819907
8.811054
11.649465
9.941427
10.473156
12.718911
8.631340
9.280014
12.115975
11.780874
9.704965
11.313431
11.432860
12.279045
8.231144
8.716757
11.858500
8.568562
10.938959
6.796664
10.153772
8.380903
6.792568
8.737248
11.338129
10.581996
7.604100
7.851406
7.733174
9.952959
7.971722
9.614782
9.152978
9.894403
9.900865
9.108732
8.770408
6.376621
6.486719
10.050980
11.383440
6.639638
9.979511
10.163480
6.396504
6.090728
5.832711
8.662440
8.183056
8.603225
5.514504
10.315674
8.510577
7.634688
7.862833
11.564413
8.150293
9.926141
9.252407
8.928630
7.718426
9.062597
9.592853
6.490056
7.328147
5.398955
11.086248
9.486454
7.712860
7.942444
6.057033
8.614663
6.764770
6.904438
8.193990
7.426366
9.657906
7.460554
8.521524
10.384015
9.886816
9.529616
11.643180
6.863090
8.803156
6.887060
7.759022
6.381049
10.408199
9.501897
7.481978
7.675668
7.608640
9.215574
6.169889
8.564031
7.962676
7.623940
8.087102
9.022864
8.931186
8.878314
10.453218
8.701182
8.826903
6.891033
6.907829
6.871452
10.231255
9.152062
6.292785
11.059099
10.338284
6.921358
8.974880
7.875073
8.474820
7.452721
8.756976
9.453054
8.848227
9.763224
6.368802
7.001804
8.251459
7.071863
7.914977
6.672267
8.424706
6.146535
5.617588
7.565157
6.261406
5.193991
5.080096
8.480590
5.260521
8.573244
8.854869
8.330561
7.058184
5.204733
7.805887
6.571230
8.671026
8.196646
6.819163
5.838908
5.990768
4.968032
6.623722
7.773415
6.820872
5.491607
8.387448
7.146443
7.123615
8.526978
7.460051
7.170003
7.853740
7.721534
8.641118
8.859386
7.752907
5.454619
5.344386
5.324610
5.480255
8.297479
7.038041
5.868816
6.453551
7.965316
5.330958
8.764657
7.776345
5.637974
7.084674
7.585177
8.626347
7.521943
4.921155
5.966231
7.479217
5.528474
5.507233
5.671667
5.544343
6.946608
5.984664
6.839061
5.784829
6.980300
6.924635
5.279931
6.900342
8.030015
8.181753
5.709876
5.644444
7.590182
8.019272
7.783303
6.853465
6.639714
7.885113
7.807596
6.561342
8.399533
7.209433
5.011856
7.575655
7.331263
6.601749
7.246910
8.888318
6.254448
7.821268
4.986709
8.299188
5.455596
8.895032
8.513550
7.623753
5.664098
6.760445
5.154073
7.863262
8.770394
5.805826
7.448088
7.709204
6.161061
8.684210
5.119770
8.760750
6.547548
7.775491
7.730445
8.825938
5.159688
5.672887
6.883984
6.685369
6.184011
7.066729
8.864269
7.691626
8.316767
6.402402
6.575014
5.578402
5.310694
5.686193
5.661168
5.857585
7.389248
6.815378
5.683874
6.175344
7.401456
8.805795
7.225547
7.005692
5.595248
6.293512
5.799234
8.053331
8.882946
7.685034
7.438566
7.744728
6.472472
5.329615
6.840892
5.177267
5.743568
8.092639
6.942335
5.907636
6.237846
8.699103
8.794687
6.947584
7.643651
8.228385
6.624821
6.348689
5.646764
6.131397
4.946547
8.746345
7.523896
6.145314
5.304193
6.434721
6.569124
7.935743
6.666662
8.622776
8.663671
5.818979
8.717994
5.360714
7.348933
5.599612
7.499329
5.781991
8.431730
6.881634
8.366909
6.485870
6.830851
5.298700
5.412839
6.718177
6.573641
8.285974
7.754585
8.077105
5.845836
5.811411
8.564791
5.114856
5.971328
5.444090
6.719886
7.215384
5.197134
7.132862
4.940168
6.118183
8.158040
7.070727
6.296777
5.467528
7.894604
6.021012
4.961409
6.758583
7.303278
7.478942
5.073107
8.058184
4.888653
5.044053
7.597110
5.872692
7.697577
8.378628
7.050707
8.541353
8.305750
7.127125
5.971572
7.525330
8.736061
6.171896
5.003647
6.972701
8.180868
7.599063
8.474456
5.930555
5.403317
8.751076
7.339290
5.581057
8.694189
7.739570
7.369442
7.875072
8.257775
5.794809
8.455779
5.940687
7.903516
5.825571
6.904828
8.638768
6.915693
8.565401
6.602817
7.642766
4.979720
5.678838
6.921552
5.416868
5.036119
7.205496
5.240593
8.467498
6.941084
6.712317
5.963393
8.242637
6.804971
5.534791
5.898938
6.055803
6.887127
7.476989
7.886547
8.407926
6.918989
5.347530
8.537080
5.081530
5.733161
6.708777
7.967727
8.386074
8.071001
8.208701
7.402402
5.923231
5.445311
5.876110
6.515168
5.253533
5.933363
6.751015
6.390652
6.835368
5.773812
5.225578
5.976821
7.611637
5.643193
5.471923
5.904798
7.621281
8.488250
5.329829
7.550600
6.008194
5.786142
7.031053
5.214469
6.804239
5.111438
6.134053
7.292657
8.860088
5.880993
8.045854
8.315394
8.299768
8.154500
7.502869
7.727973
7.874340
5.364010
8.389492
5.288690
5.587283
5.849742
7.266778
4.958846
4.970443
5.414548
7.636296
8.641453
9.024522
7.529115
8.957015
6.487579
5.367794
8.514985
9.061144
5.901013
6.171163
5.515748
8.435026
6.193014
6.443388
6.337428
8.318812
8.688574
5.972427
5.664922
8.747047
8.394131
5.331172
8.899030
8.863140
5.469359
8.593112
7.483215
7.881054
7.379818
6.134541
7.598697
7.071581
6.602695
8.898663
8.101642
7.146657
8.763527
7.493103
5.577029
5.416746
8.076617
7.502014
6.385525
7.097461
8.966170
6.380032
7.576113
7.138478
6.741249
7.310846
6.543123
8.952254
6.201315
7.398862
5.297967
8.415128
7.044725
7.573916
5.235343
5.517212
6.959517
5.580325
6.264794
8.036210
7.266167
7.428282
6.185446
5.608158
7.992386
6.679601
6.177877
6.574007
5.250725
6.946089
6.287744
7.971877
5.797250
8.972518
8.777078
7.055223
7.644108
5.681158
5.217154
8.707984
5.601566
6.552644
5.199942
5.133168
6.626133
6.716346
6.539338
6.191183
5.846690
6.128681
8.842021
8.759499
8.146321
6.210349
6.318751
7.492981
6.173238
5.320795
5.714606
7.355892
7.657170
8.443937
5.229362
8.303430
6.904462
8.457854
8.306238
6.486114
5.348994
6.367702
8.163045
6.353175
8.031571
7.873608
8.939802
8.028275
8.884625
7.648625
7.339167
8.335292
7.697089
6.704260
8.633641
7.846019
7.632878
6.216330
8.914655
6.327052
8.180136
7.185476
5.459960
6.960494
6.403958
7.311090
7.092334
7.712104
5.380367
8.448576
6.404935
8.223106
6.683264
6.029801
5.730842
6.601596
5.802499
5.817759
6.727454
6.485992
7.365780
7.373226
7.454405
8.757302
7.040452
7.606998
8.818583
8.275109
8.990463
7.792917
6.261010
6.012101
8.798318
9.198477
5.711798
6.474883
7.870312
8.430021
5.429807
6.168966
5.426634
7.670110
7.586123
8.938581
8.383633
8.779397
6.338282
8.453337
6.884930
6.504059
8.727760
6.505524
6.816202
6.876751
5.519410
6.748695
6.687536
5.638432
8.595798
6.898968
6.758217
9.061388
5.779794
6.771157
8.278039
5.543703
5.964858
7.526795
6.721229
6.353298
5.421384
7.507385
8.888287
7.895093
8.160482
6.028825
5.747688
5.875866
7.226127
8.512177
6.898236
5.744270
7.792306
8.324183
8.519990
7.777291
6.940229
6.705115
8.695288
7.191458
6.989303
6.156880
5.970107
7.652165
9.258904
6.667150
7.033494
8.556612
9.133778
8.144124
7.388974
8.464324
7.309992
8.437956
6.892987
9.052232
6.095599
8.322352
8.035722
5.967544
5.639531
8.812479
6.839152
6.954390
8.967391
8.194174
8.247154
7.628483
6.694983
8.138020
7.882397
9.275628
6.297754
8.275597
8.046953
9.047960
8.809793
6.610752
5.837291
6.935347
5.826548
9.142567
9.255364
7.882763
7.688543
6.073016
7.182180
7.433164
7.718696
5.977798
9.098254
7.267876
5.390255
9.310297
8.417814
9.020127
9.298944
8.618381
9.316889
8.738136
6.814005
8.847270
6.927656
8.370327
9.286004
7.101489
8.776589
6.650060
7.681951
9.245476
7.337092
5.753059
7.526917
6.712073
7.576968
8.104083
6.024430
6.900067
7.372005
7.705267
8.231895
8.529756
6.660802
6.365749
9.164907
7.336482
7.219047
7.202200
6.707678
7.474914
6.923505
7.788522
8.202719
8.007523
6.384793
9.330195
7.593326
7.856517
7.822336
8.234825
7.999100
6.589755
8.055010
6.458281
6.593173
8.418668
5.485961
6.998093
# Label of molecule (22)
0.605706
# Number of Instances of molecule (23)
5
10.548701
8.995127
9.493381
10.686744
12.528916
9.062273
11.491561
9.146596
10.289127
8.750739
8.708103
9.905421
9.433204
9.923865
12.693074
10.344097
11.902458
11.309968
11.611927
11.400054
11.717615
8.952437
10.840360
9.728360
9.798440
12.075952
10.193951
10.173817
10.633185
11.406675
12.369354
12.038014
12.167150
11.207684
11.540156
11.048675
9.785659
9.983211
8.962734
11.691784
10.109803
10.011370
9.756021
7.276806
8.759087
9.756155
8.536231
9.748531
11.342179
8.742293
9.633728
7.579388
9.202247
9.803557
7.401246
10.137101
6.061473
11.663379
8.422930
6.966595
8.313817
11.535882
10.530484
7.434999
8.807001
7.508169
9.018688
9.290231
8.607248
9.355428
9.666433
9.202348
7.598591
9.930064
6.852806
6.604694
9.515677
9.296331
6.695867
7.597197
10.831405
6.681207
6.545115
8.518371
8.256233
8.520398
9.247514
6.755410
8.095816
6.602954
7.604395
10.091432
11.054988
5.853929
8.775306
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8.011673
5.880016
# Label of molecule (23)
0.519193
# Number of Instances of molecule (24)
3
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9.131323
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7.313898
9.797006
7.599063
8.867290
# Label of molecule (24)
0.560839
# Number of Instances of molecule (25)
4
10.654915
9.053028
9.519490
10.508715
12.416248
9.044684
11.340596
9.280401
10.349083
8.926046
8.722918
9.942792
9.382283
9.995763
12.650622
10.531381
11.722857
11.131930
11.630220
11.949525
11.981427
8.636291
10.985408
9.617597
9.924768
12.163833
10.174790
10.021881
10.702154
11.920073
12.255601
12.269309
11.057592
8.271873
11.189116
9.355811
8.980486
8.871561
7.965554
10.061847
9.952375
8.816568
11.837871
7.475602
8.197263
12.285334
9.495141
9.512664
11.631026
9.058240
11.378390
7.723357
9.555744
10.474195
6.817544
9.328539
6.857352
11.757152
9.646826
6.477286
9.343324
12.555725
9.006322
7.962947
9.513941
7.350246
9.984358
8.322530
9.282534
9.555259
11.640077
9.919314
8.499768
7.704850
8.201203
6.471961
10.254923
9.306383
8.464228
7.307908
9.082824
6.308568
7.891443
6.173877
6.858968
6.478594
10.552818
6.495274
8.334605
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9.009300
8.648265
7.888954
8.084279
10.496872
9.375054
9.018002
6.969333
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10.518838
6.093560
7.796903
5.737202
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10.081483
8.081660
7.588939
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8.663523
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9.127309
7.662057
6.832468
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6.687496
9.559179
8.459562
8.857337
11.485635
10.729120
7.206288
8.279322
5.788500
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7.602189
11.523958
7.448683
6.825523
6.837270
6.593907
9.086493
7.320621
6.951291
6.431936
7.115095
9.868236
9.104482
8.216484
7.839917
7.856611
7.944276
7.539285
7.502435
9.808506
7.645903
7.311296
9.117638
7.447018
9.841971
9.885495
9.562632
9.150347
6.947056
10.112705
8.129560
9.245411
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10.323660
6.286106
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8.985076
5.050752
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8.290109
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6.075808
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6.458998
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6.206793
6.930937
8.049013
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8.047792
7.124058
6.181646
7.297891
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5.927854
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7.319987
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5.464461
6.446669
5.914304
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7.038850
8.614338
8.731651
6.852321
6.172002
5.722404
6.202521
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8.032655
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6.933256
5.888546
7.714896
8.316355
6.397229
6.216071
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7.839778
8.306711
8.070254
8.102237
5.625355
7.241249
7.862362
6.407605
8.413038
7.881527
8.658650
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8.262886
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6.126225
6.817530
8.717124
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7.253578
7.541551
8.172063
8.792566
8.219306
6.222419
5.836787
8.900845
7.783990
7.420331
5.652944
5.342631
6.581072
8.892666
7.549486
6.871242
8.680502
5.315775
5.409406
7.673391
7.801202
6.687643
5.122044
6.314096
6.547014
8.283151
6.096072
5.923826
7.041047
7.041047
7.608692
5.502670
5.332743
5.254982
7.365276
6.216803
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5.646107
6.561785
7.004059
6.277474
6.413221
6.268563
8.114811
7.430586
8.752525
8.826502
7.715873
5.243507
8.028138
6.497940
5.927122
5.061495
8.122379
5.701529
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6.127934
8.135807
8.635701
5.059542
8.908902
8.924772
5.020966
5.358013
8.721030
6.847560
5.833979
8.360546
6.540178
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8.907804
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6.503067
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8.684576
5.551424
5.497955
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7.480071
5.142354
6.202445
7.533296
7.685034
8.668218
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5.302515
8.286859
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5.016373
4.747566
7.660497
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5.956832
7.064898
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8.626347
6.011032
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8.357662
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5.049455
6.148488
6.632023
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5.995407
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5.880535
7.497528
6.984207
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6.986282
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7.252525
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5.413602
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7.289758
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8.184194
6.839061
6.124317
8.048692
8.139027
5.672765
6.494934
6.526551
7.331019
4.967177
7.115436
6.531312
8.094104
7.662450
8.490844
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5.837565
8.584719
6.616520
8.400143
5.889935
8.613163
6.270928
8.344600
5.958785
5.117817
8.112537
4.948622
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5.047868
8.456664
7.999741
5.956954
5.041765
8.607303
5.296289
7.483245
4.936903
8.617924
6.873241
6.460997
7.051958
6.357967
7.435392
7.253502
7.618503
8.757942
8.379757
8.326289
8.735481
8.109851
6.776925
8.529054
5.221702
6.297296
8.689337
5.992965
6.743477
7.830058
6.198904
5.521393
5.588168
8.558596
7.523896
8.346797
6.463317
4.942518
7.592257
8.129749
8.693609
6.750435
8.455077
7.076983
5.189840
6.062059
4.907727
8.048936
8.569704
5.452177
8.699957
8.536866
8.797617
6.228446
6.703558
8.380123
8.726691
7.598361
6.418882
5.102313
5.912152
5.641514
8.191153
8.739143
7.074175
6.962233
5.511872
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5.895062
8.783090
5.866741
6.343928
8.141591
5.915326
7.826151
8.454588
5.711097
7.139119
5.737342
6.011155
6.041673
7.399503
8.085559
# Label of molecule (25)
0.507315
# Number of Instances of molecule (26)
3
10.484674
8.955413
9.752090
10.599914
12.422504
9.068580
11.289813
9.389695
10.576424
8.838607
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10.092025
9.412500
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12.559799
10.665279
11.493624
11.192442
11.622260
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12.013439
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10.924577
11.502829
12.436004
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12.065941
11.439977
11.394208
10.449032
7.231307
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11.802518
10.090201
9.660001
12.575066
7.554862
7.592907
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11.579984
7.802048
10.021705
11.905890
9.894889
7.863251
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8.752868
7.877436
8.961082
6.371014
9.758686
8.180612
6.041421
10.305709
12.444106
7.914467
6.791576
8.626099
8.477056
7.908604
7.160401
9.625287
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10.317577
9.286780
7.399169
7.854406
6.906468
9.165266
10.079327
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8.640316
8.761919
10.258717
5.954744
6.966754
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8.462054
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8.132614
6.300566
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10.457063
8.557590
9.524307
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10.042934
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7.525893
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5.806865
8.892867
7.879500
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10.355478
6.265856
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11.040009
6.301090
9.258559
10.092895
6.747082
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7.231758
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11.125751
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8.809650
7.876536
7.049060
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8.502698
10.431295
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9.139702
8.192639
6.735812
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5.756333
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11.440965
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9.051317
8.894763
8.440129
10.821410
6.930040
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7.433986
5.710969
10.419276
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8.354318
7.231861
8.146090
11.494924
8.995957
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8.781594
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6.762856
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6.863567
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7.493591
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5.831431
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7.006760
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5.900769
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7.031785
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6.990402
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9.591311
5.814585
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8.597629
6.637608
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9.300897
8.600558
8.174520
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8.024857
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8.643284
5.872082
5.922376
7.317927
8.824076
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6.304468
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8.070513
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8.491424
6.056902
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6.326930
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6.307764
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7.606510
9.641606
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8.717139
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8.263634
8.176962
6.395657
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7.512146
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7.402402
9.661626
8.553072
8.322474
7.488586
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9.033799
7.840159
5.936537
6.972701
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9.153676
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7.730537
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6.789590
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7.683660
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9.232658
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6.886029
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9.339595
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6.246605
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9.028306
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8.995468
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6.777627
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8.377041
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6.263695
9.285394
6.311060
8.495453
8.674047
6.185690
7.769356
9.093249
9.594852
6.899823
8.508026
8.125202
9.576785
6.926069
7.684515
8.640110
7.477599
7.828196
6.574007
7.199515
9.729499
8.597385
7.363582
9.722053
7.504089
9.945936
9.282708
8.942366
6.152242
8.403165
9.444334
7.365169
9.291131
7.093188
9.772225
7.584536
9.914319
8.065996
9.389523
9.845470
6.902264
9.058947
7.842357
6.723792
7.304376
9.562136
6.535188
6.797281
8.769997
9.064806
9.751595
9.184194
6.503449
6.355129
8.636448
8.823832
7.116993
6.750404
9.513550
6.374783
9.756844
10.131367
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6.605258
8.878521
6.656896
7.694159
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7.045091
9.033189
6.604648
9.509522
8.124104
8.211753
7.708686
6.167623
7.257134
9.394040
10.001236
7.700140
7.979324
7.213065
9.618046
7.750069
6.861003
8.972762
9.005722
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8.048051
8.814066
9.426267
9.242058
8.076250
9.687872
6.173727
7.735054
9.333735
8.006790
7.876904
7.870434
6.546052
9.851817
7.261650
9.873424
8.661596
9.607791
8.750465
7.104297
8.508515
# Label of molecule (26)
0.521525
# Number of Instances of molecule (27)
4
10.635159
9.049103
9.717493
10.734042
12.310454
8.895009
11.356255
9.238777
10.370459
8.747272
8.600469
10.042094
9.599128
9.956585
12.411042
10.623689
11.523588
10.942341
11.684170
11.605306
11.969877
8.864930
11.205738
9.515447
10.004322
12.018175
10.352345
9.977470
11.134359
11.772099
12.514812
12.287550
11.948737
11.357338
11.772922
10.949092
9.724647
10.016317
9.022137
11.890405
10.266958
10.519561
12.712616
8.846640
9.404221
12.647448
11.309005
9.972367
8.764982
11.551547
10.168658
6.766640
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5.260781
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7.468245
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5.012116
7.240699
# Label of molecule (27)
0.618935
# Number of Instances of molecule (28)
5
10.393805
8.885309
9.749709
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6.808634
5.785287
7.646062
7.776437
7.502747
4.998032
7.824412
8.028031
5.208853
7.159719
6.099506
8.927473
6.111591
5.351558
7.676946
8.239341
6.592807
6.798379
8.395108
5.444212
8.749855
5.480956
5.770150
8.832743
7.810129
7.678655
7.376400
8.214682
7.820750
7.316340
7.937086
5.123157
7.985427
5.991836
8.502045
6.383694
8.025834
6.556917
5.085925
8.926008
6.940229
7.128712
8.142293
5.713263
7.536927
8.405484
8.248131
5.398785
5.611927
6.677633
8.904508
7.038606
5.360088
5.216895
5.225806
6.070559
7.522629
8.877529
6.283212
7.396161
6.366344
6.080447
6.243904
5.272805
7.996765
5.316996
8.523515
8.833705
8.182928
5.397809
5.232521
7.035066
8.019715
5.818964
5.396588
5.911130
6.799829
9.122166
6.325205
9.006684
5.472884
9.119358
8.503739
5.864010
8.064272
8.862148
8.383618
7.442183
6.430677
6.226569
5.446883
5.337260
7.726859
6.991485
5.918821
5.685659
5.957030
7.282388
7.502487
6.619892
8.989105
5.258889
7.514206
6.154912
6.402478
7.919370
6.791040
5.379376
5.549791
8.896573
7.746635
5.825800
5.201392
7.121616
6.950957
5.895993
6.152837
6.229865
8.608356
7.216346
8.168035
8.583697
7.309122
7.797174
8.632771
7.787164
6.429212
8.872036
8.294259
5.569567
8.553545
8.291940
7.462447
8.908658
8.298166
7.348918
6.045900
5.272927
7.904843
7.904965
6.799951
7.855892
5.985351
6.699240
7.159825
8.675985
7.788263
7.711600
7.035310
7.421064
7.364177
7.454878
5.940794
5.908322
6.005371
6.071657
8.837123
8.036927
5.332621
7.112094
6.058229
7.107578
7.406293
6.864162
6.699850
8.385205
8.235664
8.116031
6.843287
8.777673
9.061373
7.221229
7.990539
5.506943
7.786676
5.344584
7.085482
7.648488
6.932524
8.763024
5.495590
6.411145
8.489944
9.093966
6.329966
6.035768
8.046571
8.331736
7.467818
7.184851
6.561785
7.561083
7.673757
8.700034
8.165227
8.226386
5.172948
7.601611
6.353038
8.830042
6.063234
7.205481
6.958525
5.936522
5.937132
5.231544
6.270638
6.354991
6.090701
7.780450
8.675985
7.377239
7.693167
# Label of molecule (28)
0.541291
# Number of Instances of molecule (29)
5
10.662260
9.056125
9.522134
10.568916
12.441414
8.904662
11.240870
9.166260
10.447433
8.665086
8.605695
9.967259
9.354054
9.944331
12.369151
10.305896
11.708070
11.038885
11.660206
11.571063
11.535433
8.993732
10.664582
9.878763
9.802760
12.320660
10.722112
10.028421
10.871081
11.332938
11.960604
12.110379
11.841092
11.127568
11.721161
10.970382
10.183343
9.740919
9.018708
12.025770
10.050976
10.010667
12.772641
8.744469
9.219693
12.219286
11.118906
10.183795
11.538944
11.851652
12.384127
6.444019
7.645782
9.679625
9.249176
8.692909
6.302635
10.405645
8.567427
7.522540
7.668508
10.075262
8.720014
7.816890
10.693384
9.239696
7.741145
9.063530
8.571340
9.241480
10.699051
7.591177
7.594071
9.613212
6.380633
6.446091
9.124334
8.494120
7.192060
10.036024
8.773966
6.593171
8.761552
8.310773
7.431542
6.053109
8.144121
5.281058
10.369716
6.470296
9.820020
7.295089
8.038573
6.859723
8.027686
8.049418
10.467213
6.386333
7.097220
9.189792
7.028742
8.856332
5.704861
9.482762
10.842809
8.519188
8.103721
8.324248
9.440404
6.602285
7.377567
8.847483
5.795830
9.907522
5.663199
9.226975
8.569354
8.553690
8.251951
10.559881
7.640777
6.856771
5.605359
8.431839
7.147251
8.381537
9.513268
7.472409
8.017102
8.804199
9.798638
6.948632
8.406481
7.585908
6.916093
10.329713
7.222410
8.272228
8.657688
8.199509
7.484465
6.985032
9.230758
9.303909
6.632621
9.996079
8.324742
6.886881
8.578819
7.614188
8.600209
7.312697
7.132867
9.014695
6.827797
9.565936
8.967869
6.966066
9.116346
7.059562
8.845185
6.082920
9.536003
8.798730
8.860768
7.050006
7.244713
8.612430
5.806314
7.016312
7.582003
8.776864
5.520295
7.155354
8.502930
6.627506
8.209098
5.886883
8.362300
8.715217
5.443144
5.479522
8.288934
6.634709
5.274071
8.411496
5.479278
5.368679
7.899030
6.161794
7.829325
5.248192
5.600131
5.809244
5.273705
5.404447
5.332423
5.307642
7.215415
6.589663
6.334162
6.318537
5.411771
5.238548
7.135701
7.471648
7.700415
8.647710
6.343196
6.931104
5.932417
7.146443
7.568941
5.141133
7.495453
5.136372
8.886486
8.626347
5.793863
6.871532
7.183065
5.721229
7.067705
6.856029
5.786905
7.105792
8.920911
8.735115
7.741554
6.018845
7.936140
6.551210
7.103961
7.027909
7.750954
8.244987
8.642094
6.227103
8.968886
7.270837
8.304193
7.741554
8.282098
6.206107
8.838267
7.409635
8.180166
6.227348
6.933668
8.521363
8.619144
6.328547
6.261895
8.485229
6.027024
6.156301
8.790414
5.301050
7.020585
8.337886
6.744819
6.711615
6.206473
6.175466
7.595431
6.909009
7.445769
8.584109
6.440611
5.670934
5.951827
8.144520
6.165090
6.801706
6.601382
8.150868
7.746193
6.752876
7.830058
6.523499
7.082842
6.298517
6.488952
8.465331
8.724372
8.140004
9.038469
5.733924
8.871105
5.315699
8.450926
6.407407
6.024949
7.291101
8.201529
9.016495
7.662938
8.601688
8.718024
8.918836
7.307703
6.927076
5.668004
6.790963
8.374386
7.470061
7.456023
7.112506
5.162862
8.513794
5.307520
8.516358
5.376003
9.035173
7.312830
5.882488
8.534181
5.247093
5.807657
6.048753
8.664800
8.945936
5.464873
9.012955
7.639744
6.537660
5.470855
8.502564
7.535981
7.620334
7.164510
7.787332
8.685598
8.782769
7.929960
6.154393
8.961119
9.272774
8.508469
9.084658
9.024720
8.746513
6.404767
8.858089
6.549547
7.230476
6.204932
7.418104
7.590960
5.610675
7.356944
7.037111
5.865078
6.273537
8.196203
6.281228
7.114139
8.112339
7.993805
8.529588
5.931486
7.777490
5.403150
5.922086
8.423627
9.042543
5.680502
7.614154
8.082553
8.163854
7.053102
7.208747
8.244423
9.105899
6.611805
6.244850
6.508774
8.510178
8.101352
8.614795
6.494491
8.280068
7.984039
6.785760
8.305094
7.659078
6.152684
6.702750
7.081668
8.675222
5.666463
8.244423
7.016236
6.827876
7.884548
8.109287
8.200476
8.892758
7.374157
6.006928
5.685385
5.717368
8.967101
9.028871
6.128513
5.885342
7.338755
7.072634
5.399487
6.121921
7.486587
6.198462
8.524216
8.316691
6.481185
8.787530
7.337291
7.038697
6.866573
7.382092
9.223090
5.419263
6.083102
9.079287
8.315348
7.276254
8.289834
5.354808
8.534593
7.355602
6.958983
8.191565
5.835292
7.565203
8.620289
7.387463
7.039430
9.076479
6.127537
5.918302
8.631031
8.166662
7.824854
8.230750
8.886166
5.680258
6.984497
6.338237
8.714896
5.981536
5.895352
6.599475
6.587878
7.273568
6.973388
6.048799
6.925169
7.160894
9.270699
9.157903
7.319590
5.328684
6.758293
5.901212
7.972564
7.214240
6.757805
6.002533
8.714530
6.544908
8.895444
6.234230
8.987243
6.619495
6.954833
5.647908
8.161412
6.206153
6.004486
5.608844
5.565630
5.932096
9.171941
5.510331
5.601154
9.041688
6.441633
7.042848
7.317637
8.394818
7.853298
5.892300
7.824122
5.584674
5.470412
7.744407
6.912595
6.046236
5.854900
7.621189
5.522858
7.936384
6.216483
4.920179
8.679449
7.850810
7.895001
5.192892
8.015976
5.234275
5.981613
7.798685
8.592410
7.733985
5.651646
6.991165
6.556337
8.414792
4.928114
8.354976
7.028153
8.396237
6.280450
8.359737
5.757485
6.793283
8.434935
4.906995
4.930555
8.836924
7.770241
8.743538
7.499481
5.048967
8.674932
7.616550
8.409665
8.347896
8.239982
5.047746
7.101764
5.957442
6.662664
5.597568
7.661840
4.997330
8.736335
8.498047
6.994217
8.626347
7.800760
5.526399
5.393460
5.615635
5.529572
4.998306
7.889874
6.228568
6.926954
5.750404
6.742134
7.277795
7.911481
6.992019
5.455840
7.238243
6.860790
5.897870
6.698065
6.289361
5.491363
8.819712
8.486450
8.163320
6.450743
7.987289
7.026688
6.670232
4.993545
5.579745
6.573428
5.781167
6.120899
5.036515
6.689886
8.138661
8.553835
7.487152
7.279626
8.872692
6.918043
5.172384
5.768471
5.596225
5.516022
5.732826
6.809153
5.456084
7.058184
7.239952
6.883862
8.112293
5.730384
5.843425
6.180837
5.522492
7.973739
7.911969
6.119556
5.407376
6.348567
8.540162
4.898694
7.269005
5.860393
8.298212
5.443510
5.839030
8.121570
6.098437
8.125111
6.833567
8.723762
8.054674
6.629826
5.884930
5.196310
6.207450
7.351405
7.530000
6.926344
6.993240
6.680731
7.127644
8.412961
7.329188
6.570742
8.581179
5.234642
6.190970
6.748115
8.739509
6.100879
5.557894
5.949507
5.354274
8.365841
8.599612
6.555849
7.466155
6.376522
4.979751
6.999588
5.095111
8.034410
7.154012
8.321406
5.111591
4.939589
7.531953
7.249351
6.161794
7.499359
8.383419
6.623554
6.615131
8.670248
9.013520
7.864803
7.772149
5.348247
7.324992
7.178991
6.940214
6.333628
5.430280
6.612201
7.356975
5.556505
8.897305
7.090732
6.406995
9.104587
5.768792
8.168767
7.355876
8.466384
7.372600
8.361522
6.950713
7.298624
7.182287
5.439924
6.764306
8.091617
8.611164
6.061281
6.154546
7.108188
6.608661
8.110172
8.717978
7.971129
5.937376
9.125706
8.108829
6.273934
9.004975
8.189520
9.101901
7.590258
8.124454
6.650899
5.770745
7.256630
7.081454
7.060579
8.660115
6.303354
6.878689
7.692434
6.823511
7.909360
8.536699
8.025452
8.604938
8.755089
7.823786
6.560930
7.035798
5.648915
6.790796
6.352306
5.726066
7.802423
8.985443
5.619007
7.121006
7.128086
7.220985
8.822962
7.000641
8.936857
6.775414
7.578906
9.097018
7.407392
8.894864
6.778710
7.701956
8.205878
5.476180
5.298318
8.144719
6.626850
5.805536
6.668233
9.009003
7.635060
6.225227
9.078341
7.968688
8.178045
7.606128
6.093997
7.115879
8.149846
7.499313
7.459273
7.655324
6.375744
7.843196
7.358928
5.841426
7.997497
9.098972
5.518296
8.032899
7.630177
7.692190
8.513504
8.738365
6.668844
7.632862
8.666463
5.530625
9.118381
7.191076
7.902890
6.702292
6.320444
7.501999
7.944517
5.538316
6.956328
7.975158
6.213263
9.081881
6.695944
7.384320
6.820826
7.265664
5.871334
7.511277
6.019166
6.287484
5.548570
6.219245
5.487777
8.101260
6.372936
8.831996
8.830409
7.901059
8.562578
8.691366
6.658956
7.472457
5.425398
5.770257
5.638173
8.285348
8.775231
6.215461
6.865505
6.204718
6.619526
7.694021
8.962981
7.693167
# Label of molecule (29)
0.596764
# Number of Instances of molecule (30)
4
10.653168
8.970782
9.563265
10.664075
12.274890
8.889164
11.262784
9.336338
10.307087
8.843688
8.656780
9.834164
9.706968
9.821238
12.576422
10.815155
11.366915
11.237876
11.515844
11.970810
11.633549
9.124613
10.844681
9.617615
9.853100
12.053357
10.441074
9.838557
10.910351
11.341401
12.585919
11.945822
10.520533
10.084114
10.412302
10.852015
9.582039
8.621417
7.545569
11.083020
8.868525
9.071615
10.396271
6.815669
7.025260
12.052987
10.039116
7.504383
9.272074
11.583957
10.980833
7.277976
7.131032
8.880927
7.090556
10.000057
6.710648
9.353277
7.250724
6.635683
9.435213
10.121071
10.833963
6.744803
8.598056
8.996380
8.239584
7.785294
9.967657
7.729560
9.307618
7.920998
9.125427
8.175067
6.043534
8.931832
10.496695
9.962894
8.458103
9.930752
10.540512
7.052162
6.346079
6.771731
6.245632
8.321623
9.019860
7.526459
8.359231
7.951214
9.806893
9.925802
10.678837
6.719407
9.180863
9.918191
11.039309
6.663643
7.936721
8.029202
5.372677
7.162987
7.832518
10.439877
8.474595
5.833419
7.194995
8.830196
8.373498
7.209784
9.892951
9.768700
6.108295
10.327730
6.335087
8.934974
10.952457
9.917216
9.460081
11.707161
8.142724
7.169437
7.143972
9.430935
8.388747
11.536488
8.545299
7.007016
5.583335
8.748949
9.181453
6.506173
8.116844
6.080761
6.183482
9.260960
9.619118
11.267722
8.632749
11.108284
8.731806
6.789001
7.514011
8.864863
7.533011
7.782526
7.234281
5.408788
7.591806
9.445277
6.979833
7.862048
8.007228
10.290366
8.763480
10.777722
7.559829
10.025063
7.961659
7.882635
6.032749
7.302892
8.439019
8.078784
7.560050
8.897197
5.789422
8.096988
7.174718
5.862056
7.155187
7.937681
5.419660
7.258950
6.546892
6.994171
8.877529
6.723289
5.343486
7.877377
6.357067
6.325694
5.232398
6.025269
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8.948103
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7.827708
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6.106830
8.314173
# Label of molecule (30)
0.452633
# Number of Instances of molecule (31)
5
10.545101
9.088146
9.660204
10.614583
12.273892
9.070593
11.464970
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9.360332
7.421552
7.928404
6.578875
8.536332
8.804895
7.511032
7.905210
6.563250
6.473525
7.447920
9.217994
5.914792
7.557421
7.391522
7.996033
8.142521
6.990509
6.641377
7.179235
6.075076
9.423566
7.761406
7.637867
8.321848
8.345408
8.188299
7.791803
6.955718
7.792413
5.707999
6.752220
9.250954
6.017579
5.673940
9.362407
8.350414
6.496109
7.841975
9.511704
5.738517
7.641163
8.698813
6.097659
8.392285
8.606647
9.156102
8.012391
9.488021
6.550066
7.487716
6.526139
7.537889
6.732200
7.384564
7.445723
8.830775
8.826380
8.999725
9.420026
8.052431
6.814844
8.863247
8.770104
7.961241
5.846065
8.536821
9.216895
8.993011
9.426984
5.887814
8.882900
5.670644
8.326975
8.853847
6.941801
8.693930
8.567949
9.574572
6.292245
9.582507
5.874630
6.767235
6.629170
6.750511
# Label of molecule (31)
0.644473
# Number of Instances of molecule (32)
4
10.652715
8.993173
9.635721
10.477601
12.263483
9.059599
11.219628
9.246354
10.356627
8.853695
8.513080
9.929888
9.510898
9.870934
12.802293
10.394767
11.482095
10.857301
11.856987
11.945226
11.484338
8.960921
11.207809
9.670766
9.681581
12.073908
10.585934
9.812586
10.858579
11.338677
12.649730
12.141098
11.999629
11.125893
11.308753
10.942913
9.930080
9.689361
9.182044
11.825740
10.125040
10.150890
12.463882
8.935519
9.389785
12.495080
11.580160
9.969933
11.594782
9.376871
12.462595
7.614154
7.602210
9.236833
9.359628
10.109002
6.429528
9.297534
9.181609
7.086842
7.659149
9.544910
8.391908
6.853254
9.621012
9.561527
8.827896
8.695119
7.848971
8.293314
9.962910
10.257700
8.212351
7.898994
6.251745
8.456542
9.076638
8.350451
7.092957
10.170253
8.489637
7.772980
8.230040
8.672048
8.126199
6.851536
10.769084
6.964205
10.300185
8.053274
8.493764
9.724517
8.182183
8.466053
7.774418
10.373913
9.747970
9.057222
10.072756
10.638582
6.135301
8.397686
8.154404
9.917922
10.915028
8.114360
5.475670
8.503924
10.629750
6.549827
7.559164
10.129635
8.294184
11.665549
8.500721
8.639832
9.804570
8.019097
10.730019
9.301879
6.693149
8.095494
5.584267
6.572939
6.687174
9.012892
10.444226
8.093996
5.772009
6.346656
7.798340
7.015062
9.167390
7.703576
5.990721
8.163674
9.915811
11.176802
7.506802
8.515040
7.854348
8.635618
8.119041
6.512052
7.760023
8.601913
6.213079
8.259643
9.307574
8.192010
8.384397
7.818294
5.614071
10.516765
7.892748
10.647366
10.203003
9.393457
9.714752
8.278216
8.627510
7.895797
10.073983
8.688085
9.535936
8.627202
8.422864
5.272500
5.474654
6.477126
6.355052
8.243782
6.596881
7.436750
6.395947
8.151250
5.318400
8.149663
5.173376
7.942869
6.492752
6.022645
5.361980
5.964904
6.339549
5.267006
7.382305
7.374004
7.561144
6.868252
5.404218
8.758690
6.451857
5.705008
6.529862
5.348430
5.873714
7.191504
6.031556
8.183844
5.975036
5.817438
5.519211
8.620380
6.525468
5.962218
6.912442
5.545946
8.744041
7.357646
5.092563
8.683126
6.493484
7.573351
8.109378
5.351360
6.717978
7.901242
7.816401
8.067263
8.996735
7.013153
5.812922
6.353587
8.090335
8.767113
5.564501
8.136357
5.354900
8.536760
7.577380
6.100772
8.897488
8.439711
6.503983
6.384716
8.348643
5.838435
7.053072
6.982513
8.128422
5.491012
5.578295
7.233985
5.077914
7.723624
6.222724
7.776238
6.334422
7.002533
6.492264
6.329417
5.322306
5.279702
5.134434
8.694723
7.738029
6.486282
7.196387
8.337657
5.399823
8.549333
7.137181
5.932554
5.842341
7.307840
8.870998
6.243110
7.526231
8.701315
7.613880
7.713370
8.541032
7.607410
8.410779
6.145085
6.674886
5.702689
6.216865
7.836177
6.726768
6.722129
6.409253
5.554247
8.935698
5.491256
6.602252
8.722556
6.401563
5.107822
6.643147
5.189856
5.374676
6.646199
7.663198
5.963561
8.285531
5.760552
7.056490
6.276559
5.393231
8.561296
6.265572
6.366771
6.926115
5.139195
6.245186
5.341350
5.587939
5.115390
7.481674
7.502792
5.308267
5.586596
5.441328
6.510208
6.108951
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6.324412
6.752281
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8.982696
7.852779
7.577380
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6.372265
5.941099
5.717444
9.108905
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6.637761
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8.834361
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7.960921
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6.814280
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6.231010
8.073962
5.354030
9.063982
8.990982
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8.218497
8.079455
7.326868
6.115650
8.697638
7.919172
6.581484
6.229179
6.893750
6.884960
7.728248
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5.816446
5.504547
7.118000
8.845103
8.626347
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8.812876
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5.401517
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8.880749
5.647984
7.804666
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9.025773
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8.020127
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6.929273
5.648350
8.342647
7.601535
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6.083056
6.648625
6.606388
6.100879
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8.239128
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7.540376
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6.796457
7.141072
8.808481
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8.141469
5.685705
5.505890
5.261010
8.049669
6.339534
5.485015
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6.069750
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5.359890
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6.672918
8.673223
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6.147145
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7.708960
6.202124
9.292306
6.533555
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8.707327
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8.448042
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6.445173
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5.847621
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6.901120
6.078829
7.352306
8.037019
7.538224
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8.648244
8.309977
6.970580
6.318339
6.515122
6.476302
7.052492
8.770074
8.913388
5.504959
9.040223
7.437880
7.366344
7.023560
8.124790
8.746757
8.646779
8.239418
8.112705
6.823481
6.047090
5.728843
8.631397
6.046968
5.611408
5.967498
7.231086
7.528581
8.703909
8.478317
8.762627
8.396161
6.286599
5.471389
8.401044
8.758721
6.285379
7.852321
8.694876
7.225471
9.414747
5.470168
9.012391
7.855129
6.839595
7.485855
7.761864
7.407849
7.048341
6.729484
7.760887
5.779992
9.310617
5.927458
9.127262
8.491012
7.096927
5.670370
8.070711
8.100742
6.834712
7.998566
5.955901
9.432325
9.373852
7.479385
7.015625
5.473342
7.538957
7.652730
9.086245
8.833430
7.142949
6.717277
5.741417
5.628498
8.836116
6.335429
8.201453
8.674245
6.165746
7.428968
9.387646
8.854427
9.222968
6.843135
6.502426
5.547441
9.248360
6.752434
8.508591
6.981567
5.576250
6.682852
8.878842
9.393384
6.287820
6.028291
5.996918
5.867885
7.950591
6.931394
7.580828
5.732994
5.819666
9.409375
5.504105
7.382336
7.874172
8.594653
9.391797
9.404126
8.064608
5.969573
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6.889157
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5.794031
7.474746
7.313974
6.008759
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7.667135
7.575335
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8.687429
6.902585
6.222510
6.570299
8.617115
7.908475
6.939329
8.541795
5.584307
8.951720
6.615345
7.847682
# Label of molecule (32)
0.595459
# Number of Instances of molecule (33)
5
10.612999
9.133887
9.682696
10.751148
12.572861
8.915760
11.429206
9.299658
10.341336
8.662649
8.548113
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12.462291
10.552365
11.579523
11.143445
11.876378
11.930420
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11.158816
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12.285929
10.539239
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11.099567
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12.254306
11.745131
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11.828873
11.059201
9.926226
9.804202
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10.149284
10.362176
12.779526
8.611761
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10.290418
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10.131580
7.364838
12.383683
6.992817
8.457377
7.693561
11.966444
10.164505
8.583240
10.833007
8.433198
9.735187
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10.185717
9.098903
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8.691165
7.504855
7.525835
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8.402895
10.234893
10.608456
7.408362
6.761393
5.874112
7.894915
8.972004
10.190992
6.213823
9.485205
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8.692910
9.123055
8.290582
8.449081
11.017934
10.559882
9.674281
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8.926922
10.548599
5.358217
7.255377
6.583060
8.132235
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6.692720
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8.322380
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11.600931
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10.308862
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5.261345
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5.445067
8.994369
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6.572176
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5.592166
7.339534
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6.337550
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7.377621
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6.452055
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6.904096
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5.338984
5.190298
7.622013
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7.151051
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6.576937
8.437346
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7.879101
8.355556
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7.844554
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7.323054
7.990310
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7.229423
5.428587
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7.493103
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7.115040
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6.301416
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6.401395
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8.456511
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8.416227
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5.589602
6.450591
9.088244
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6.270898
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6.962569
7.164480
8.454802
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6.918012
5.473632
5.656865
7.936110
7.134938
6.589145
7.370907
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5.680792
8.856182
7.290826
7.471618
6.588290
6.175314
6.213034
7.245537
7.299371
5.738411
6.492828
5.814707
7.352596
9.162587
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6.340846
8.187704
5.397702
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6.070818
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6.981979
9.110950
5.628544
6.009293
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6.960860
6.687536
6.561190
7.889477
8.544893
8.914289
5.293695
7.011887
6.221091
5.860118
6.600620
7.961379
7.534974
8.098712
9.055651
7.817087
5.343257
9.046617
5.235832
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5.023453
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8.183096
7.690527
6.599307
6.919874
8.687017
7.622776
6.301813
8.396847
5.080340
8.844249
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6.608341
5.576327
7.352992
8.182241
8.437498
5.813883
6.258965
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5.355739
8.736824
7.309046
8.061144
5.775063
7.331874
6.226737
6.364071
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5.602573
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6.439268
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5.362331
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6.995926
5.473785
8.336909
5.022965
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5.841350
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6.673772
6.745308
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6.382748
5.141133
5.563753
5.049211
6.842723
6.369320
8.429441
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7.968856
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6.029466
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7.589450
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7.509491
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8.347163
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6.434507
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6.178884
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6.513489
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6.302423
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7.128498
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8.301508
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5.789834
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8.265374
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4.849254
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5.458281
7.336024
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8.534059
6.490417
8.845347
8.711310
7.882305
6.584048
6.185965
5.595370
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6.554628
5.104877
5.529328
8.448485
5.950606
5.823893
7.433927
7.734107
6.133106
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8.161489
6.605289
6.253716
5.408719
5.938643
6.879223
8.506226
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5.520539
8.396725
7.026200
8.626347
6.429746
6.404233
8.814829
5.645665
5.657628
5.178488
5.060076
5.673376
8.201041
5.768349
5.232688
5.479522
8.809091
7.728126
8.328974
6.742866
6.317438
6.719184
7.638279
4.913709
5.942549
7.853130
7.408780
7.007157
6.911939
8.652348
7.786233
7.198935
6.805246
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8.401242
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5.604160
5.469634
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7.353847
5.116718
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7.152791
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7.019852
6.183645
8.066637
6.144826
7.567721
7.989486
7.855449
5.903241
8.470336
6.097827
6.888989
6.728095
5.923383
6.200247
7.444792
8.368038
7.325770
6.515809
6.921949
6.862499
5.536653
6.090136
7.610569
7.618870
7.375576
5.491607
5.889935
8.322504
6.237968
8.282220
5.732948
7.060137
6.705512
5.635166
7.388028
5.028214
7.021073
8.478759
8.117664
7.202719
7.307337
5.534700
5.865764
6.343440
5.402371
7.634007
6.730049
5.711463
8.187613
8.677984
7.112873
5.870891
8.281365
7.625217
7.429289
6.951979
5.977340
5.874798
8.242180
7.750465
6.298273
8.425047
5.703406
5.037248
7.041948
7.178549
5.174703
6.455138
7.695288
# Label of molecule (33)
0.607902
# Number of Instances of molecule (34)
4
10.494528
8.987852
9.549743
10.506191
12.355268
8.896046
11.251344
9.326891
10.473840
8.674381
8.703215
10.092193
9.586130
10.032751
12.732772
10.739626
11.400592
11.301635
11.499081
11.948985
11.683342
8.687975
10.695013
9.729107
9.528428
12.440690
10.182389
9.897635
10.993963
11.985035
12.397668
11.943667
12.087372
11.079325
11.557499
10.627616
9.858828
10.046954
9.062324
11.876215
10.209763
10.332514
12.461806
8.826873
8.983898
12.610438
11.261434
10.216867
11.861078
11.532898
12.729312
8.379837
9.776404
11.641936
9.082779
11.008006
7.858031
11.423133
7.289652
8.136129
7.623320
12.200974
9.163310
8.681754
8.717481
7.256814
7.773792
8.602483
7.935208
9.033230
9.327829
9.469387
8.999705
7.705408
6.982948
6.776667
10.334643
9.678805
6.369042
8.543902
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6.122892
7.919600
6.301531
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8.232069
8.538334
6.054145
7.046616
9.368551
10.363941
10.259226
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7.177654
8.727160
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10.451299
8.455057
9.942352
10.052765
8.127612
7.661671
7.573211
11.199932
7.957736
6.844853
5.219429
6.977935
10.785033
5.557925
8.450835
8.621828
7.864423
11.790479
7.026416
8.260619
9.150059
9.699349
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10.900180
7.045051
7.483988
6.641408
7.429261
5.762474
8.334094
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6.934749
7.997116
6.379552
7.334410
6.337420
8.758078
7.215009
8.182511
8.662112
8.872752
10.584787
9.681122
10.932835
7.787273
8.644491
8.157911
9.624879
5.110099
7.649471
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5.445146
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7.382131
6.430418
8.465553
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10.846446
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6.405587
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7.603381
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5.227332
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6.424512
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7.506577
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5.226722
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6.690268
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5.989319
5.421430
6.703696
5.511643
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5.475997
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5.152623
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5.602710
8.373058
8.412976
6.029969
6.902676
6.997772
5.625172
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8.767113
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6.110660
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6.931486
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8.743553
7.994751
7.849605
5.909482
5.947813
6.792688
6.947356
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6.080996
6.535966
8.442274
6.990692
6.254830
5.365276
5.919858
5.998352
6.159612
8.275521
7.288553
5.464644
8.291513
5.219886
8.471206
7.602771
7.454817
8.020508
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5.726859
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5.553636
6.885220
8.553117
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6.813684
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6.476028
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8.344615
6.531449
7.323344
5.147130
5.545091
8.116581
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6.041322
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6.229926
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6.469314
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7.122532
7.031709
6.966033
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6.207099
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7.888180
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6.034318
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8.742653
8.048662
6.563753
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8.369594
7.663030
5.190786
5.706671
6.406156
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8.612522
7.771065
5.721809
8.972396
8.592257
9.086779
8.187948
7.034227
5.396115
5.369991
9.019761
7.831004
7.304865
5.567507
5.137928
6.929121
6.250755
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8.927961
7.598086
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7.629704
7.772042
7.126148
6.301050
5.306024
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5.229850
5.747566
6.034562
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8.146443
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8.694189
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8.535737
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8.376797
7.279351
6.594150
5.455931
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8.595920
8.217368
5.697516
7.122608
6.983200
7.013962
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6.013565
5.541017
9.108386
6.870769
8.555635
5.840831
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5.318110
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5.816904
6.912641
5.342647
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7.557680
7.491394
8.656957
7.391293
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5.744270
6.958052
8.558321
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6.250877
6.818278
6.360866
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6.687658
6.061052
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5.735359
6.862712
8.628269
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6.296899
7.342586
6.695227
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9.106677
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6.550691
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6.981735
8.355678
8.645116
7.298883
8.663915
6.639317
6.978439
5.213126
5.182241
# Label of molecule (34)
0.644264
# Number of Instances of molecule (35)
4
10.504585
9.104815
9.533730
10.324370
12.227760
9.136465
11.180613
9.197891
10.415741
8.659167
8.830207
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12.456266
10.624712
11.627146
10.818000
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11.834958
11.852734
8.711869
11.238161
9.760225
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12.076619
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10.188503
10.735302
11.397484
12.637031
11.681971
12.312072
8.668515
11.611332
9.391425
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10.058208
10.397458
11.729232
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9.179198
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10.857695
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11.956249
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8.035542
8.315889
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10.133235
8.844661
6.102679
9.536368
12.070536
10.857707
7.438854
9.435539
6.234230
9.014052
6.650314
6.927818
9.403593
9.301288
6.194390
6.760172
8.151023
6.157865
5.477172
7.363743
8.586645
6.696231
7.476361
10.429959
7.792092
6.304353
6.807217
7.665443
7.121915
8.224672
5.234999
7.347470
6.651702
9.593274
9.267156
9.822584
6.639776
9.734023
10.449705
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10.478099
8.910194
5.309631
5.952311
7.994705
10.550023
10.760634
7.708846
8.069319
6.199708
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6.818702
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10.432058
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10.012677
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6.134632
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10.049939
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5.588660
11.163912
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10.184728
7.658461
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6.964517
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6.337840
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7.177343
5.661061
7.311380
8.880154
6.165105
5.579638
5.703543
7.104221
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6.522248
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6.324732
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5.522950
6.431181
5.234001
5.398312
8.043046
8.073199
# Label of molecule (35)
0.457404
# Number of Instances of molecule (36)
5
10.568323
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7.277139
7.162145
9.194678
9.880123
7.307413
6.463027
8.127262
7.268105
9.792474
9.173193
6.231697
9.280374
9.851680
7.617359
7.755669
9.506699
7.125401
9.546861
6.194952
6.863186
7.743583
6.928739
7.711356
6.347301
9.910276
7.010773
6.354381
6.504288
8.982025
8.033509
5.963256
6.979278
7.912778
7.965758
9.624012
7.530320
8.940519
8.639729
7.554369
7.878109
8.391308
7.657888
8.296213
7.765191
6.476089
8.449416
8.085147
8.602863
5.954466
8.850063
7.276284
8.077334
7.539598
6.579730
8.699057
9.093112
7.921934
5.994507
6.816675
6.426405
# Label of molecule (36)
0.383449
# Number of Instances of molecule (37)
4
10.470689
9.073570
9.683323
10.419840
12.104954
8.705289
11.546364
9.058742
10.158374
8.940622
8.568657
10.172254
9.214570
9.868381
12.304883
10.816573
11.641792
11.253380
11.798402
11.457369
12.040103
9.074055
10.641559
9.876597
9.799341
12.007760
10.494266
9.967400
11.147594
11.582348
12.569043
12.007805
12.183335
11.152114
11.573293
10.813422
9.720651
7.361757
7.660191
9.081669
9.188463
9.601591
12.570475
6.362948
8.414422
10.316310
9.651384
8.698415
8.617859
10.937200
12.084601
6.747011
7.367396
10.409236
6.690648
7.994327
6.383808
8.153573
8.076141
5.040297
6.994707
8.985589
6.816413
5.444332
9.360150
7.767807
9.370925
7.045830
6.559927
7.301859
7.957488
9.474820
7.867145
8.420512
6.753920
5.591280
9.255905
7.646451
6.877801
9.369356
8.160511
7.940930
6.200907
6.418440
8.646538
6.070758
8.698843
6.370813
9.882555
8.651637
9.868376
7.500360
8.463515
6.704211
8.664487
8.739296
11.047497
8.261317
8.983659
8.405641
6.568333
8.677658
7.179658
7.971969
8.653596
6.328807
6.302176
6.498230
9.556460
6.692172
6.596376
9.210118
7.599188
9.930414
7.421475
7.403357
9.746580
8.231072
10.129282
10.678251
7.037590
7.377148
5.196703
7.015187
6.367017
10.890170
8.578631
8.834268
7.558724
6.757863
8.930231
5.206044
8.152067
7.934197
5.771414
11.596636
6.883474
8.931551
8.927767
8.738497
7.504690
6.493715
6.819135
8.849148
6.292150
7.044968
9.059820
6.888608
8.342014
9.590242
8.595581
9.150008
5.744999
9.773470
8.067674
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7.335915
9.204053
10.186090
6.250498
7.436750
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7.569931
8.107224
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8.313242
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7.518174
8.336314
6.622517
6.127140
5.217322
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6.826502
6.508988
8.033326
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8.931913
6.677938
7.820673
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6.460646
5.734428
7.462752
5.627003
6.527787
8.243171
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5.342204
6.275704
7.681631
5.509079
8.655660
8.573504
7.030000
6.389111
8.515763
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5.981140
7.199438
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5.339030
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6.892666
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8.148198
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6.953337
5.931455
5.526658
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8.086184
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5.699637
5.195959
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8.767113
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7.441877
6.147526
5.786554
8.285043
5.179601
7.073702
7.237159
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7.560533
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6.938322
8.711203
8.831446
8.092044
5.964049
6.571734
5.733818
7.586169
7.389019
8.791284
7.885983
6.961394
5.188635
8.960723
7.994140
8.475845
8.641499
7.507309
8.170904
8.605487
8.650410
6.018128
5.471114
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8.640767
8.145024
5.791070
8.030641
7.448714
8.106937
8.826197
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5.982482
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7.656240
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5.278237
6.678915
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6.657796
7.815424
8.449721
5.176183
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7.618885
5.577563
8.469985
7.964232
8.785791
8.766625
6.520707
6.429273
6.687582
7.634144
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8.551531
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5.327311
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6.560259
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6.324046
7.047578
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8.991607
8.162114
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7.066622
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4.966170
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6.431303
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4.978866
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8.149373
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6.015641
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8.931501
6.598056
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6.213645
8.810282
6.094989
8.420133
5.438597
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5.731574
8.847636
7.777779
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7.166311
6.939741
8.133869
6.684362
8.602634
5.319330
7.531312
8.153645
7.668035
8.012772
8.810648
6.854534
9.081652
7.225394
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5.883801
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7.029588
8.694189
5.884777
8.019120
6.363430
8.103839
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6.148335
6.173116
5.608402
6.209983
8.397427
9.124744
8.040605
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9.191275
7.215995
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6.055803
5.396847
9.280755
8.418424
8.508393
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7.542177
8.331019
7.612125
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7.075610
8.372402
6.183248
6.310572
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6.560701
6.135029
6.756630
8.834819
8.218955
8.077837
8.083087
9.211661
7.914624
7.128224
6.769326
8.627049
5.582034
6.305811
5.390133
7.298517
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6.889813
8.771462
5.687140
6.378689
9.111805
6.762612
8.999496
7.306574
6.559359
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7.336970
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7.666692
7.050218
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7.262627
5.407590
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8.025346
6.161641
5.595706
6.627354
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7.043504
5.714362
5.596194
6.183981
8.751808
6.818278
8.577364
9.176138
7.960768
# Label of molecule (37)
0.419787
# Number of Instances of molecule (38)
4
10.641818
9.067185
9.692974
10.566822
12.703131
9.144480
11.087284
9.095288
10.636824
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12.526858
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11.902801
11.753694
8.669292
10.754681
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12.286489
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12.089043
12.120519
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11.592515
10.852617
10.012763
7.259266
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12.842729
7.346020
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11.292842
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6.522492
6.372341
9.554933
5.842784
6.046403
7.936354
7.472228
5.911390
7.359432
7.471862
6.589999
6.880902
5.696173
8.378994
9.112415
8.467254
6.090472
8.517060
5.914197
6.500031
6.663732
8.909772
6.591220
8.654271
8.654881
9.348018
9.440306
6.518464
7.069262
7.266045
8.243492
7.373470
5.818613
6.266869
6.732948
7.057054
7.227958
6.670690
9.609867
7.289361
7.785470
8.460784
8.993027
6.835368
6.009049
7.004563
7.172414
5.876232
6.305200
7.922193
6.542146
8.969222
8.695288
9.478271
7.588321
5.965590
8.283532
6.872234
5.806650
8.267418
6.342433
6.803140
8.424528
7.792550
8.891095
6.681555
5.802622
8.028031
6.638707
6.864910
6.391873
6.542756
8.173177
6.292627
6.119404
6.336329
8.263878
5.893567
9.079821
7.399716
7.158864
6.141865
6.404935
7.860790
6.748573
7.136769
6.190207
6.091327
7.470885
9.580935
9.349239
9.150258
7.834422
9.031114
8.272790
6.936689
6.433988
5.798715
7.169240
9.430662
8.332484
6.873455
8.958113
6.392972
7.685369
6.243919
7.593448
6.902509
8.482879
7.994217
6.692907
6.102802
7.283502
6.546052
7.345515
8.536958
7.814890
8.427702
5.974258
7.440489
7.317438
5.937635
9.129383
9.373043
8.505097
7.085131
6.084002
7.558901
9.016831
8.176351
6.113056
9.314692
6.237693
9.425901
9.322993
8.937117
9.360347
7.966140
5.913709
7.427305
8.563814
8.629490
8.745216
6.426176
9.185781
6.880047
6.081439
5.734993
8.760231
8.267785
7.392514
7.797311
8.799051
6.781655
9.083605
6.516999
7.189383
6.476226
9.029405
7.787301
7.083911
8.746681
# Label of molecule (38)
0.449322
# Number of Instances of molecule (39)
5
10.670637
8.966150
9.604987
10.472420
12.036623
8.835180
11.195114
9.099258
10.394758
8.575179
8.489458
9.969832
9.471022
10.032455
12.535064
10.441960
11.850639
11.018052
11.455106
11.436561
11.525899
8.809973
10.963998
9.437478
9.503589
11.963625
10.247220
10.065601
10.673960
11.550699
12.300567
11.999450
12.126921
9.657194
10.427271
10.220201
9.037550
7.190417
8.543231
9.065481
8.018484
7.574155
12.047608
7.581483
9.036514
12.301208
10.212399
9.176983
9.010222
8.778522
9.302902
7.036779
7.283352
10.195063
7.290260
9.777828
6.246044
11.227328
7.816953
7.932776
8.582869
10.217636
7.174980
5.896543
6.909664
8.113387
7.487232
6.930356
7.791251
9.085718
10.779125
8.308691
6.761504
9.048251
6.004161
5.950676
7.394057
9.089684
5.957571
7.712895
10.785111
7.583541
7.728317
7.659393
6.840449
6.673133
9.285476
6.244869
7.054638
6.137250
10.255112
7.925941
8.826206
6.898601
10.186203
9.317787
8.057397
7.801891
10.157974
10.749026
5.973927
8.402691
7.150282
10.004010
8.596485
7.809980
7.368154
6.759750
7.426361
8.399339
9.246380
10.167735
6.212124
8.501150
5.970081
9.065846
9.721138
11.036363
9.178017
9.145752
6.764752
9.087436
5.293380
8.748304
7.851299
9.012162
10.215918
10.243096
8.359228
7.713445
9.131718
6.431756
6.667595
5.783465
7.702590
8.861126
7.847010
9.056916
7.691983
8.545306
9.777008
6.448525
8.050435
6.788138
7.826019
8.064101
6.061283
7.955064
8.883332
9.951748
9.621002
7.337683
7.378946
8.487761
9.972469
10.079027
6.835220
9.340832
8.088034
7.941788
8.496099
6.698566
8.979360
7.678714
8.726388
7.650922
6.714148
9.290765
7.994583
6.253563
8.074053
6.337184
6.113056
8.342128
7.133229
5.480468
5.952651
6.593295
7.990432
6.850627
6.202902
8.279748
6.442900
6.024430
8.987899
5.478271
5.386227
5.864391
6.605625
8.953352
6.237571
6.913007
6.729286
6.279931
6.757118
7.216117
5.443358
6.087298
5.643925
8.452116
7.491394
8.291223
8.279260
7.239067
7.109180
6.195334
5.993545
8.498383
8.820170
8.335536
7.232231
7.746406
5.564089
5.938612
8.994369
7.192679
5.540407
5.876476
6.920209
8.515839
9.134022
6.985519
8.402554
7.195364
7.303278
7.627750
7.094653
7.273370
6.805826
6.371364
7.194510
5.419797
5.631718
7.661199
7.875195
7.178640
8.025834
6.357448
8.239097
8.267541
6.468535
7.017136
7.172048
7.808542
7.994949
7.790841
6.468657
6.361965
8.222617
8.813822
7.608097
7.641667
6.466826
6.962813
6.551668
8.783303
5.316034
8.856059
8.940291
6.043229
8.044023
7.969314
6.064104
8.802347
9.231315
5.745247
5.981704
8.748634
7.975051
6.569613
8.161824
9.115467
7.057299
6.488922
8.023759
8.848491
7.451353
5.546266
7.751778
6.578402
5.537111
7.609195
7.757271
7.272637
6.404202
5.563845
7.164602
8.441496
8.614475
7.752876
7.695257
8.774880
5.801279
7.528626
5.325922
8.082842
8.480316
7.800607
8.094317
5.416746
7.444151
6.448027
8.428678
8.243858
6.120502
6.476470
8.376186
7.552675
7.264336
8.790139
6.104266
7.762764
5.361934
7.457213
6.050554
6.313746
6.120746
5.342402
9.095813
7.809519
8.419889
5.981216
9.136219
7.592105
6.096454
7.571841
8.428312
5.619877
8.944319
6.958785
6.082659
5.525880
8.362560
8.011109
6.848231
6.861293
9.474288
7.763787
8.421033
9.263100
7.443098
6.991913
7.231056
5.708060
7.826533
6.826258
8.447401
7.008026
7.855708
5.683035
7.610096
9.360515
5.695120
5.775079
8.604022
8.777367
7.475204
8.928007
7.844478
8.507584
6.473220
8.574725
6.047670
9.324503
6.818567
6.807459
6.962981
6.557085
6.094790
7.356304
8.440565
7.738273
9.216956
9.374920
9.210486
6.744346
7.955809
8.903592
8.746971
8.302744
6.486892
8.889920
7.594836
6.741417
7.336650
8.636128
9.530564
8.855739
6.103092
9.553270
8.934599
8.767113
9.324259
8.094119
8.750633
8.648946
7.869747
8.740867
8.404553
9.195471
8.232795
7.922849
7.059786
7.706656
6.092349
5.738334
5.583789
7.666250
8.526994
8.356944
8.600238
5.685965
9.249916
5.975524
6.001770
7.693472
7.243141
9.204871
7.300394
8.235359
9.166417
8.760277
8.185919
8.774926
5.911313
9.332804
6.672811
8.854518
7.683096
6.513627
8.207404
6.001770
7.976928
5.649709
9.110019
6.253121
8.830348
7.503525
5.729301
9.168126
5.722709
7.591662
6.681845
9.211707
8.499039
6.079653
7.552721
9.379437
8.691061
7.105319
9.432417
8.938749
5.612842
8.407483
8.663839
9.162999
5.604907
8.133549
7.176489
6.932218
6.800501
5.702689
6.780480
8.076907
7.791131
7.598743
8.797143
6.337718
8.566424
6.966033
6.399731
7.819208
6.100528
7.887936
7.041841
6.808191
8.963897
7.216895
8.344249
8.837428
9.331462
8.836818
8.819971
6.863247
8.766259
7.228126
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6.438185
8.150273
7.214087
6.998993
5.748589
6.138981
8.760643
7.908200
6.396191
8.514420
7.706168
8.301721
8.787210
7.213431
7.554018
6.083392
8.891217
6.595126
7.769845
7.239189
7.767159
7.338069
6.470733
8.681127
7.263237
7.221732
7.271661
7.814646
8.321009
5.926527
8.472503
7.157399
7.657537
7.742744
5.534791
6.480743
6.504181
6.239769
7.300470
8.850566
6.273705
8.271569
7.826243
8.941389
8.032304
8.692724
5.711676
5.998428
6.651402
5.161000
8.794656
5.823862
8.514618
8.400723
8.087359
6.160909
7.653508
5.301019
6.830973
5.851085
5.188833
6.226951
8.542329
8.141194
6.951094
5.914686
5.926893
6.512360
8.155599
5.328974
6.535066
7.408261
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7.855785
9.034776
6.236473
7.112598
5.205679
5.976699
7.018479
6.563997
6.404691
6.926679
6.062883
5.589114
5.243889
5.840098
6.037492
8.621677
7.566713
6.553743
8.813944
6.680456
5.765755
6.269677
5.461791
7.927808
5.867443
6.906049
7.766060
6.282006
6.575350
6.190695
7.641545
6.959883
7.651067
6.371242
8.822855
5.823862
7.005417
8.418302
5.201163
5.409299
7.875927
5.594485
6.185568
8.505463
7.464415
8.267418
7.462218
8.166829
8.412076
5.837657
7.526429
7.029221
8.483489
5.661504
8.364711
8.805521
5.838267
6.838542
8.658910
6.835612
7.262993
8.742897
7.889355
8.566500
8.738624
8.170736
5.710944
8.837260
7.719794
8.980941
6.979049
6.842570
8.499359
6.101947
8.796609
7.653142
8.033891
7.782174
7.961379
7.162893
7.605777
5.954970
5.186636
5.343379
5.695196
6.599643
8.469695
6.676916
5.439329
5.965712
7.982742
8.643529
8.050981
8.542207
8.865337
5.139271
5.574343
8.642918
6.286889
5.698248
8.351772
7.483703
5.159780
5.394040
8.679464
6.101138
7.103366
8.476821
7.240822
5.163244
6.095767
5.857723
5.172521
5.410932
7.896237
8.645283
7.576159
5.314005
5.462447
6.207953
8.709006
7.212256
8.777978
7.618763
5.462813
7.669057
5.793878
7.677236
8.115482
6.632405
5.083407
7.425520
6.730430
6.273385
5.581713
7.030000
5.580126
8.380505
8.785791
6.905850
7.968017
5.183386
6.791833
6.959441
7.823603
8.481460
5.542650
7.821406
6.445753
7.951292
8.661153
7.947874
6.770837
7.510239
5.244301
8.464248
7.537095
6.608600
6.994354
7.625111
5.723807
7.326884
6.059389
8.767113
5.639698
6.152043
6.960906
7.628529
7.032563
7.310160
7.982177
6.911710
6.598834
8.526627
5.391888
7.962157
5.267006
8.092532
7.879879
7.439192
7.628040
8.110355
6.577105
8.855983
5.889828
6.794031
8.038697
8.858669
6.731162
6.698935
7.561266
8.125614
5.427046
7.756829
6.211493
6.756798
5.624683
7.989868
4.941557
6.031434
5.141026
8.779931
7.164281
8.407483
6.159612
7.566881
7.164647
5.637989
6.201483
6.852748
7.722892
6.880703
8.242805
6.384228
8.322642
8.673482
6.357738
7.390728
7.320292
6.652669
5.258950
7.751457
7.450667
6.888760
6.110904
4.968169
8.043092
8.714255
4.993072
5.816950
5.323649
4.917508
8.385266
7.554186
8.178838
7.181005
8.051881
5.553148
6.753502
6.634724
7.699942
8.245613
5.262246
5.402631
7.785394
6.240791
8.384899
5.016511
8.841823
8.502457
8.623066
7.571764
7.709464
8.452651
7.993530
7.499741
7.036225
4.881863
5.431684
5.833552
8.427503
8.538591
7.281961
8.840602
5.619434
7.272683
8.247322
6.895718
8.051637
8.609760
# Label of molecule (39)
0.382212
# Number of Instances of molecule (40)
5
10.375149
8.935996
9.662676
10.353223
12.521232
8.991276
11.539694
9.267758
10.482338
8.470249
8.799493
10.193500
9.495362
9.664898
12.430094
10.402632
11.667691
10.920720
11.862285
11.614526
11.638883
8.798996
10.731400
9.704343
9.489340
12.043524
10.453178
9.745624
11.054987
11.323289
12.355597
12.083274
12.298011
11.136369
11.331732
10.980731
8.672075
7.527199
7.785799
9.186466
9.927042
7.914344
12.739664
7.850265
8.700672
10.708702
10.891264
7.539215
8.609553
9.888723
12.063082
7.793138
8.601173
9.687674
7.761640
9.153930
6.230245
10.637741
8.219084
8.437798
7.446630
9.093361
7.259143
5.868179
7.225167
5.803494
8.749251
7.397192
9.575420
6.840639
10.869310
6.301695
6.587274
7.893817
5.206572
5.877176
8.594046
8.305399
5.439895
8.929812
10.759200
5.976332
8.074055
8.161630
7.884448
7.301226
8.006271
5.964715
9.842887
8.813337
9.185558
9.734884
8.104189
6.001546
9.847888
10.820796
7.697949
8.347819
8.612404
7.967004
6.374086
8.285577
7.762190
10.914425
7.289573
7.046142
5.393546
6.725665
9.998403
6.612305
9.370453
8.363061
5.610517
10.594393
8.352537
7.243066
8.870881
9.844633
8.900709
8.131046
7.621503
8.948648
5.808064
7.185080
7.331341
8.116708
10.099869
7.983120
7.976142
9.300072
10.556239
7.225064
7.160721
6.917809
7.530432
11.549080
8.339256
9.430212
8.202427
10.402775
9.890932
7.279286
7.948800
7.536206
7.709629
7.728339
8.358861
5.331181
7.638867
7.796754
8.128410
9.888843
5.221667
11.314240
8.169878
9.762383
7.832240
7.880223
9.197134
6.147662
8.762750
7.999690
7.912619
8.481467
8.207254
8.609153
7.637806
6.129948
7.674429
5.092074
6.056703
8.841945
7.051241
7.585559
7.011322
6.957488
6.162297
7.972533
8.678121
7.246925
5.488083
5.997742
7.561876
6.535112
6.406201
7.116550
6.694418
5.613086
6.808802
6.964934
8.138310
8.360729
8.710593
6.978240
8.669454
7.454817
7.725822
5.533372
7.515122
8.039064
8.285775
6.989349
5.021760
6.729087
6.474563
5.000885
5.126377
5.328654
8.357067
6.481643
8.509537
8.632588
5.672903
8.588763
5.300333
5.688894
8.774560
7.108493
6.214423
7.898923
6.680380
8.613056
4.993316
7.326640
6.122135
8.767113
7.026337
8.594989
7.457503
5.157140
5.024689
5.742973
5.326701
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8.617771
5.656255
8.784036
# Label of molecule (40)
0.425435
# Number of Instances of molecule (41)
4
10.612468
9.130171
9.581840
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7.822748
7.018281
6.836024
6.337596
8.794214
7.599597
6.392163
8.739647
6.379223
5.385907
8.381970
8.914457
6.304880
7.460555
9.006745
8.498550
9.066683
6.369457
8.761498
7.350444
8.366344
8.006348
9.070345
5.150792
8.666036
7.269509
8.227912
7.211890
5.734306
5.868465
7.519761
7.873165
8.060060
# Label of molecule (41)
0.450987
# Number of Instances of molecule (42)
5
10.519255
8.894590
9.569890
10.409666
12.633607
9.033894
11.305445
9.135663
10.587581
8.785210
8.819991
10.127342
9.295151
9.980779
12.356241
10.296283
11.575410
10.863090
11.530226
11.738209
11.938228
8.665847
10.858503
9.816180
9.934365
12.467115
10.210985
10.009942
10.575231
11.436911
12.267501
12.049536
11.891389
10.975532
11.729461
11.021934
9.895599
9.766690
8.530222
9.682600
8.331948
7.479024
9.697767
6.745254
7.472460
9.415735
10.653307
8.592140
8.657210
8.691717
9.633837
7.393916
8.912922
11.047214
7.824348
10.261920
6.552826
10.673056
7.746629
7.676609
9.104770
11.164207
9.037692
5.274432
8.837761
8.779836
7.394946
6.983105
6.795496
6.132127
8.667034
9.515085
9.146196
8.904269
5.834947
5.711078
8.215549
9.293765
6.327988
9.290580
8.543302
5.903151
7.740151
7.012646
7.360184
6.439061
8.788884
7.588829
9.543147
7.298191
8.580379
7.537838
9.172192
6.342863
10.871854
10.585913
9.480315
9.460829
9.067755
7.578242
5.519205
7.582294
7.166357
7.800971
9.091141
7.629349
7.366525
7.086022
10.433963
7.013997
8.210628
8.270758
5.909418
8.700964
7.518380
9.177767
7.779724
9.079446
10.855063
9.837884
6.720920
9.515741
6.362450
8.736908
8.017405
9.051454
10.144349
7.347453
6.789187
6.634501
9.544871
6.536334
6.346871
6.874514
8.460955
8.413013
9.630147
9.694208
8.515273
8.655933
9.865336
7.861603
8.114474
7.726291
5.662360
8.300703
6.966033
8.072962
7.729759
7.297870
7.922905
9.672450
6.503546
11.411718
8.133137
10.501257
9.725465
9.712646
8.494858
6.742785
6.604749
8.399234
9.023882
6.479106
7.314574
6.197248
6.533341
7.443525
5.960814
5.689810
8.282662
6.698996
8.953948
9.149754
8.625813
7.313272
8.877529
8.004456
7.628590
5.771233
6.696432
5.390973
7.702933
8.626667
5.468490
7.544237
5.644642
6.956816
7.143834
7.278848
7.414716
5.715690
9.295389
7.807428
7.537034
8.360179
6.653706
6.268929
8.988617
7.125034
8.321238
6.344249
5.456648
7.321574
7.540819
7.330607
5.838740
8.033631
6.895291
7.054231
6.858791
7.588794
7.810358
5.992553
5.676138
8.176336
7.237587
5.982788
6.362072
7.989563
6.392834
6.891140
8.117496
7.266396
6.423109
6.618427
9.108493
8.602985
7.878842
7.816095
5.794183
5.916501
8.866176
8.689047
5.621570
6.431166
6.752586
9.258034
8.962615
8.061831
6.304575
6.459243
6.167608
8.571978
7.126988
5.454695
5.612781
8.880337
9.284646
8.527421
6.613056
6.889920
5.977294
8.939055
9.078219
8.216254
6.144902
7.122105
5.785272
6.188604
7.876644
8.584552
9.144627
5.500595
5.500839
8.899014
6.331309
5.882565
7.229041
9.153417
6.660176
8.174261
6.229255
7.238075
7.077425
7.169103
6.004761
8.342723
7.644459
5.608753
6.952300
8.040223
6.888577
5.699698
6.974395
7.331339
8.897305
8.529130
7.022248
9.024384
8.027528
5.752922
6.442885
6.827174
7.109165
5.934690
7.005890
8.524003
7.014313
7.905210
6.484634
8.613727
7.469771
7.522263
8.668416
7.784112
8.985931
6.203253
6.677267
6.596942
7.778008
7.606738
6.458388
6.758568
5.555040
6.836207
7.336100
7.352336
6.050539
6.543840
6.491714
5.406232
8.170232
8.306711
8.248726
8.171941
7.632130
5.651601
9.036348
6.488662
8.974456
7.103549
7.485519
7.313395
6.177129
7.547166
8.846522
8.554155
7.933897
7.214026
5.576403
6.175542
8.576861
7.975890
6.534684
8.772423
5.570666
5.342509
6.569597
6.655538
8.545976
6.405164
8.104312
6.916776
6.520890
5.302713
6.214118
5.139866
5.803461
6.774194
7.071566
6.138066
7.448408
5.171239
7.633229
8.086856
7.142369
8.308542
6.444227
6.432386
6.395764
5.522080
5.434309
7.948057
5.913083
5.317118
8.581500
7.312906
6.018189
5.973632
5.317850
8.590899
5.009125
8.489822
8.552690
7.981506
8.318186
7.235633
7.187048
8.220161
7.350627
7.693045
6.996979
5.001190
8.879604
6.656026
7.757134
7.799982
5.869015
8.267769
6.482925
7.467574
6.602435
7.267861
6.664571
8.975433
4.991058
8.826014
7.367718
5.680898
8.936857
8.336131
8.076968
5.494613
5.624012
8.547197
7.156163
5.317850
8.617634
5.404279
5.801386
8.130924
5.639027
7.976012
7.360637
7.103427
7.898618
7.842219
7.895322
7.104160
7.856258
7.318522
7.860164
7.982971
6.287240
5.891476
8.774255
8.002747
7.528733
6.239387
8.759728
7.793634
7.778741
7.213904
8.822474
5.205786
7.327067
5.158422
7.749931
5.436628
7.590014
6.936918
5.501694
8.805017
7.824030
8.048036
8.966277
8.549516
6.395154
7.201575
7.960875
5.025727
5.478011
6.729392
7.348064
8.676595
8.058779
6.208747
7.144932
6.150151
6.118534
6.669942
8.498611
5.942625
8.871059
8.766442
5.404889
5.938231
5.929807
6.279794
8.044008
7.223548
6.281381
6.336314
5.607044
8.549760
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6.492447
5.818476
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6.580706
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6.966216
5.983398
5.143895
7.594287
6.621845
4.751320
6.630894
7.946364
8.322718
7.918531
8.513276
7.133717
6.245628
7.267998
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7.836863
4.959944
7.340999
5.657231
6.330470
5.198233
5.029771
7.765938
6.597446
7.851390
8.211020
7.483093
5.472045
6.919355
6.619175
8.419889
7.214286
6.298486
4.839091
6.984909
8.388150
7.778024
5.289789
7.879101
7.919141
7.624332
7.074877
5.111316
7.208304
5.124866
8.576388
6.915326
7.173635
8.469451
7.665227
4.937483
7.097461
5.339961
7.403500
6.075213
8.153645
7.589297
5.114612
7.336970
6.488922
5.378292
8.695288
8.102008
6.734046
8.150960
6.044328
8.153157
4.819681
7.818064
7.484924
5.857677
6.972579
5.529786
7.051805
4.871929
5.764779
5.406491
6.523469
7.744819
8.094684
8.607028
8.069536
4.793191
7.971023
7.107227
7.390316
8.628269
6.977462
6.565462
5.225089
6.702429
7.291803
5.647221
5.101062
6.257103
8.134358
5.187490
7.200247
8.042802
6.521638
6.563265
6.218284
7.186941
5.199332
8.651708
7.090503
5.587161
8.630345
6.749306
6.459990
6.200949
5.911512
6.828654
5.763802
5.609989
5.496948
6.503082
7.809641
7.232475
8.599216
8.079669
6.720985
7.558901
6.145283
7.072680
7.124683
5.786508
6.164327
5.552004
6.454253
5.226798
8.477142
5.704108
8.247032
4.861797
5.567263
4.976913
8.307093
5.423704
6.506867
8.187826
5.611454
8.372768
6.810709
5.965590
7.833201
8.148640
5.096423
6.905316
7.355770
8.070757
5.423948
4.806742
5.656133
8.261193
6.189230
8.376431
5.929212
7.966628
6.448027
6.762978
7.828928
6.653844
6.544588
6.305933
8.202963
6.252709
5.919202
7.868236
5.692877
6.923872
5.031510
6.676946
7.806742
6.176931
7.190512
5.497711
5.018204
7.019852
8.551027
7.653417
4.685308
6.749580
7.912214
7.491424
7.391324
7.608005
8.505737
8.401852
5.437529
7.666967
5.174581
7.599948
5.410428
4.762215
8.545778
5.057512
6.925855
8.015732
8.067248
4.957411
6.430235
8.316034
5.789712
8.046617
4.930189
5.137471
6.764718
7.262291
8.527345
5.068743
5.933760
5.007218
8.632572
5.426664
5.386868
8.448241
6.734931
6.333308
5.861126
5.212180
6.600772
8.626347
6.357845
7.857280
6.777047
4.982437
7.751320
5.490265
8.274041
5.625523
6.264946
6.910474
6.303156
5.996139
4.689459
5.648350
4.945448
5.756630
7.218711
7.280725
7.622410
6.507874
5.776406
5.392850
6.248589
5.591098
7.711890
6.564150
5.937788
5.351833
4.736702
6.752510
8.139882
7.237754
4.979019
7.452116
5.080828
6.109912
8.029527
5.999435
8.384396
6.138356
4.855480
8.402951
4.745857
5.658483
6.456725
7.071123
5.539216
8.365108
7.137654
7.814066
7.224570
8.215079
6.273125
8.492920
5.438871
5.417631
6.440977
5.693640
7.639744
4.885266
7.795633
7.798929
7.178671
6.519837
8.560671
6.832835
7.680273
6.710150
7.512177
7.454802
8.599734
8.416135
6.330256
5.476836
4.835582
7.212363
7.691870
6.278985
7.272912
6.669134
6.981399
7.497894
5.129536
6.443419
5.493439
8.364986
4.983779
8.456175
7.002762
6.066210
7.355190
8.530641
5.575716
5.502716
7.716407
6.866039
6.500183
6.822459
6.808664
4.723518
8.206168
5.101459
5.137837
4.696295
7.055132
6.549135
6.524354
5.941816
4.870251
7.610569
5.583041
7.749733
5.084735
5.342921
# Label of molecule (42)
0.433269
# Number of Instances of molecule (43)
5
10.609602
9.029076
9.534857
10.862553
12.079582
9.124025
11.188992
8.929606
10.261121
8.471245
8.653649
10.003442
9.129939
9.679921
12.740234
10.342621
11.246004
11.300854
11.247006
11.868226
11.518590
8.870539
10.649923
9.630962
9.858046
12.213261
10.263771
10.117561
11.181217
11.527575
11.191598
9.712797
10.767026
9.898913
11.414883
11.069736
9.733312
8.132281
7.411083
10.349752
8.289071
8.243783
10.626555
6.421255
8.630610
9.867599
11.000695
7.290614
11.014604
10.409865
10.638596
8.325517
7.262386
8.873870
8.551405
6.952088
7.004989
8.450575
8.454174
6.371711
8.955927
8.612330
9.507677
6.960967
10.028741
8.805442
9.585049
7.588529
8.118289
7.601854
9.452228
7.768821
8.395881
8.710849
6.262346
5.341554
6.756492
8.702505
7.683947
6.821873
8.572322
7.705047
5.951372
5.606877
6.626677
8.071718
7.636496
6.164520
8.045674
8.757016
8.388526
7.341451
8.856610
7.393258
8.341518
9.909353
8.039869
7.623336
7.679500
10.120542
7.597120
6.793528
7.045507
9.836314
10.571218
7.986890
6.590423
6.730692
9.443538
6.064142
7.302863
8.745088
7.809092
9.118736
7.140182
7.219509
7.548336
9.204582
7.881572
10.413102
6.524555
8.480015
7.563317
6.439241
6.314448
11.292096
8.835255
8.993212
8.034515
8.014470
7.634212
6.619301
9.598027
5.446529
7.243569
9.078561
8.752752
10.505064
8.100444
8.229079
8.744946
6.705326
6.745325
7.625652
5.547293
9.476585
9.196089
6.122221
10.989084
9.032240
6.401706
9.673241
5.383295
9.211342
8.109510
9.195986
8.457344
7.653072
9.638696
7.363009
7.687176
6.498093
9.256051
8.611809
8.500606
7.519993
5.924451
9.277703
7.244682
6.825602
5.566408
8.672582
9.059191
7.104541
8.643406
6.255882
7.631779
9.081896
8.216514
6.471587
8.835185
6.301782
7.090869
6.909711
6.994919
8.832865
6.316675
6.216330
7.292535
8.532319
5.338984
5.682745
7.255669
8.678930
6.171896
5.389401
8.708838
5.847179
7.969192
5.779794
5.559572
5.899304
8.370205
7.539003
6.796793
5.969008
5.993423
8.651463
8.073321
8.312342
8.453703
7.513855
7.251030
5.901013
8.277429
6.977828
9.281121
5.633427
7.091479
8.197104
7.794992
9.036729
6.461211
9.153920
8.782083
8.336390
5.750740
8.741066
7.727729
5.768807
5.382199
7.273003
5.587161
6.010636
7.868847
8.301599
6.970992
5.599368
6.995895
8.611911
5.915662
9.222648
5.525269
9.272332
6.615879
8.748512
7.798654
6.614536
8.492279
6.873577
7.613590
8.018754
6.969771
9.263665
5.748909
7.377010
7.343562
7.059984
5.512940
9.113147
7.103442
5.629643
8.690039
7.631291
8.096026
5.432005
8.260704
7.068773
5.897229
6.877728
8.270837
8.230186
5.771249
9.054186
7.223197
7.574160
8.589084
6.194601
7.368465
7.131520
8.084429
7.763131
6.268578
8.227256
6.820109
6.032365
9.009995
7.882397
8.240074
9.028428
5.438231
6.770302
8.182577
6.717566
6.793985
7.603580
7.229423
8.310999
6.119037
8.823954
7.266045
6.560579
8.813334
8.473968
5.627201
6.923017
5.714484
7.121509
6.204489
5.465087
7.075732
8.715186
8.888775
5.386959
5.817270
8.243614
8.723731
8.037431
8.426603
9.075304
6.146138
8.295495
5.881115
6.852214
7.686834
6.195700
6.970626
6.813883
6.506134
8.669897
6.392117
7.425474
5.759758
8.952361
8.612262
7.586596
5.307230
5.257790
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5.426618
5.150487
6.193243
8.877529
6.471450
5.161596
8.129826
5.199561
7.614185
6.322886
8.002258
8.878140
8.556108
7.337077
7.139805
5.478988
8.868618
6.637226
7.527635
6.585833
6.172369
6.169195
5.372906
8.733848
7.309000
7.322916
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6.122456
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7.068529
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6.994675
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6.311914
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6.772744
6.447905
9.172964
5.764290
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6.776284
5.468993
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8.179891
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8.413907
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5.396970
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6.628330
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8.449919
6.353542
6.319239
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7.354915
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6.242821
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6.322352
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8.099139
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7.496338
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5.813303
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7.876720
9.353816
6.506684
6.880474
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6.904279
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9.162526
6.943464
8.102802
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7.099597
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6.662206
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8.299463
8.358425
6.163167
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8.995041
6.434538
6.731910
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6.905988
7.992447
9.177908
7.013535
7.497559
9.030076
5.967971
9.116871
8.013443
8.720252
6.412198
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9.628849
7.347163
5.815012
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8.410428
8.079363
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6.698828
8.553743
7.657598
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6.269494
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9.627384
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8.345241
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7.409665
9.527406
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9.519227
8.550447
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6.434904
6.946028
6.657323
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7.559084
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5.893139
5.981521
6.136677
5.760567
9.351253
8.807535
8.940229
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6.616062
5.982742
7.787362
7.036119
6.909528
8.616245
7.621586
6.110309
9.197195
5.864696
7.488891
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6.631321
8.455718
6.789895
9.702460
8.705359
6.702612
7.180166
8.256981
6.492645
8.887127
6.492523
7.764412
# Label of molecule (43)
0.359090
# Number of Instances of molecule (44)
4
10.518097
9.039342
9.741784
10.694077
12.229169
8.839310
11.037762
9.224654
10.352484
8.818561
8.697865
9.788991
9.650943
9.571556
12.377401
10.428093
11.290997
11.066588
11.281296
11.701536
12.161530
9.008813
11.094268
9.754963
9.829199
12.327094
10.230359
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10.933869
11.967838
12.100598
11.779421
12.264515
11.140245
11.870599
8.793160
7.208779
8.053201
8.394065
11.507676
9.873188
10.043285
11.128547
6.501804
6.589089
9.999266
11.802337
7.517772
10.462348
10.136547
11.376107
8.068019
7.655992
9.370671
8.413840
9.694319
5.128442
9.385893
6.661861
6.841721
8.154675
9.453835
8.386408
7.735371
7.264496
7.849190
7.788734
8.535831
8.810352
9.119502
11.151687
6.756224
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6.922586
7.633609
5.514500
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7.726291
8.064114
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10.759593
6.668389
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11.590732
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10.309709
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6.734237
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11.112127
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7.522336
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9.207164
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7.084615
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6.131083
8.094776
7.293807
7.037535
8.998618
9.950885
8.305091
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9.721931
7.260714
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8.666167
5.731286
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6.368472
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8.979476
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8.477020
8.410733
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5.826182
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6.282128
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6.546052
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7.580874
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7.943800
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5.744392
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6.740638
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6.674032
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8.401257
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6.627155
5.634449
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6.581256
6.700888
5.461226
6.206000
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5.632862
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6.257515
9.166540
6.275216
8.367809
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8.767113
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7.422956
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6.015076
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5.691702
5.866878
6.752159
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8.421400
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8.234504
5.500534
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6.157048
8.103397
9.043733
8.791162
5.821223
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6.846767
7.754875
6.640950
9.157872
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7.545763
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6.113956
8.612934
8.198737
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7.683096
7.054048
7.815302
9.172155
6.386792
8.464003
7.213477
8.061281
6.810999
7.928953
6.215766
7.227638
5.641163
7.538438
8.780786
7.906613
5.467818
5.591479
8.738548
8.022584
8.615864
9.272500
7.647206
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7.872433
9.255409
6.986785
6.259102
6.489090
9.114048
6.061708
7.535875
5.830988
8.411023
6.991546
8.459365
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8.342296
6.161199
5.703665
7.159276
6.810144
5.507736
5.324503
7.872677
7.802484
7.017792
6.242378
5.603931
7.950072
7.811274
7.594470
8.981841
9.140172
7.185522
7.827265
8.264901
8.058107
6.995941
5.407025
7.031465
7.535264
8.747215
9.023469
8.516617
8.575701
8.770409
7.157445
8.973174
7.937254
6.861171
# Label of molecule (44)
0.409342
# Number of Instances of molecule (45)
5
10.634850
9.122931
9.611912
10.311381
12.099121
8.979672
11.387955
9.370716
10.063862
8.508424
8.697424
10.215844
9.529855
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12.390903
10.857357
11.673028
10.944918
11.581465
11.488912
11.918068
9.120856
11.133821
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9.607376
12.361911
10.253716
10.217313
11.032281
11.866464
12.145714
11.763626
12.110524
11.364241
11.601083
11.026460
10.189822
9.248805
7.182368
8.947755
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8.108887
10.881322
6.731600
8.673406
12.660112
9.593794
10.127940
9.300938
9.677954
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6.467722
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8.931388
7.900684
9.911027
6.008726
12.277088
8.367137
6.409642
7.782992
12.469054
10.322082
6.753798
9.925898
5.642415
8.811877
7.939100
7.688959
7.259760
8.241874
6.444977
7.655507
6.977186
6.091554
7.284187
8.716593
8.496168
6.828557
7.346419
8.263809
8.541430
6.405963
7.408817
6.837732
7.947471
8.883078
5.205343
10.007688
8.727767
7.934697
10.856360
10.967500
7.134927
7.824439
11.182685
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# Label of molecule (45)
0.447829
# Number of Instances of molecule (46)
4
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6.025407
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5.141713
6.460356
7.349300
6.014420
8.096515
7.936964
6.872234
6.482086
5.416990
6.388333
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6.166158
6.994430
7.069506
6.122578
8.717994
9.062609
6.485015
7.879833
7.356868
6.939497
7.484313
6.848308
7.617374
5.761849
7.505066
8.820048
6.682775
7.085498
8.340907
6.171285
8.679785
7.229179
5.805918
8.655248
5.308100
5.234367
7.675115
7.998489
5.182974
8.318812
6.270287
7.178762
5.261589
8.695288
6.071673
7.255547
7.731269
7.634465
8.727271
6.632359
7.733833
8.644017
7.835032
5.621708
7.300592
7.639225
7.874706
7.191214
8.873638
5.982559
7.661931
6.763833
7.787057
6.263817
6.701209
5.947768
9.085437
8.698462
6.812906
7.071215
8.052446
8.017167
7.407651
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7.825755
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6.784585
5.889416
5.472289
6.594760
7.828928
5.417844
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6.295190
8.481292
7.255181
8.982040
6.988571
7.356624
8.763283
5.260979
5.812387
8.886700
5.130238
5.623539
7.096606
6.359890
6.038591
8.302332
7.198660
7.236015
8.136311
8.593356
6.831706
7.107959
6.189596
6.658483
8.759133
8.687963
7.788888
6.788003
8.731422
8.191733
6.485504
5.500366
5.540529
5.496216
6.232078
7.851878
6.066790
8.446013
8.003739
5.332636
7.191458
7.682073
7.472716
6.723792
6.452910
8.370815
6.614048
7.289972
7.320002
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8.114704
7.683660
6.956709
9.053941
7.463195
7.934523
8.354579
7.636052
7.593570
7.899976
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8.591891
6.959151
7.552309
5.902722
7.328425
5.910779
6.475738
7.005783
8.012894
# Label of molecule (46)
0.421170
# Number of Instances of molecule (47)
3
10.437469
8.896308
9.617219
10.264412
12.445527
8.797162
11.185047
9.429027
10.655292
8.512921
8.784145
10.015694
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9.990400
12.513248
10.267171
11.444798
10.766760
11.358589
11.303783
11.983590
8.909255
11.062403
9.337931
9.775311
12.341598
10.539452
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11.165684
11.551842
12.612583
12.147730
12.116769
11.474877
11.773706
10.778417
10.133074
9.183458
6.772052
9.624998
7.624800
7.667954
12.213737
7.546275
8.616491
10.744581
11.595793
9.810892
11.301167
9.605186
10.893019
6.528021
7.425917
8.634714
7.524703
10.897550
5.965760
12.751713
9.191728
7.911768
9.861669
10.491737
9.448343
7.782710
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10.380247
5.585463
7.251353
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6.312079
11.215499
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6.609316
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5.771610
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10.872692
10.545838
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6.212134
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10.404763
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6.598732
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9.387748
5.313659
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10.937109
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11.888826
6.972162
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6.115787
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6.555469
6.944381
8.149451
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6.949984
11.346169
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10.568832
7.893844
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6.132344
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7.470763
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5.796030
6.507355
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5.638310
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5.819712
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7.451353
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7.293390
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5.976089
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7.542665
6.355129
7.994827
6.053728
6.380032
9.058824
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8.434660
5.796762
6.737709
8.780007
7.132618
6.886639
8.507416
5.320063
7.953688
7.161306
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6.927900
6.984542
7.274224
7.435118
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6.158834
7.956130
7.008347
6.230247
9.003159
6.535432
8.712622
5.743416
5.435911
8.420866
7.227714
5.769295
8.499603
6.918500
5.296136
5.608402
7.893017
6.761391
5.613651
6.839518
7.187307
8.723731
9.086657
5.617313
5.594241
6.696692
7.330988
5.369869
7.165456
6.600375
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6.268212
6.295190
6.506012
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5.845347
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7.138478
6.676305
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6.507477
8.729102
5.727912
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9.057360
9.078112
8.444304
7.715278
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5.301508
6.626011
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5.776864
5.734748
6.353542
5.469359
6.494781
8.612766
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6.097064
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6.509308
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7.509949
5.989761
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6.633946
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7.380673
8.768654
5.396725
7.653142
9.015000
8.353603
7.056688
7.078906
6.450591
# Label of molecule (47)
0.474618
# Number of Instances of molecule (48)
4
10.430867
9.109001
9.679197
10.802906
12.388060
9.218877
10.956859
9.401413
10.101145
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10.758908
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11.306150
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8.642957
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12.379922
10.246272
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9.667283
10.626423
8.223936
9.821905
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10.317692
7.503393
7.623718
12.628292
6.696392
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11.399583
6.230601
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10.557699
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12.772902
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8.845439
6.843791
6.803629
7.666082
7.355037
9.193594
8.628880
8.010086
9.222648
5.579714
9.040025
6.722694
8.492035
5.431883
5.714850
8.961043
9.111194
6.782754
7.600284
9.394162
6.995651
6.490509
9.378048
8.280969
8.741432
9.140492
6.017228
8.915265
7.360408
7.502014
6.788125
8.312220
5.415036
5.414182
6.110126
7.012741
5.926038
7.977615
6.613071
5.880505
5.427976
5.923719
7.782052
7.764473
5.549440
7.041429
7.565126
7.905347
5.491089
5.531007
6.316065
6.958419
7.776559
6.164571
8.447844
6.508698
7.653020
6.124897
7.172781
8.952864
6.513825
7.399838
7.702826
5.624271
7.721381
6.605625
6.286645
7.034837
7.200858
7.115772
8.456877
7.107715
9.185293
8.368862
7.863475
7.280084
7.481384
9.231437
9.068590
8.345058
6.636387
8.290368
7.676580
7.912549
7.376034
5.950209
7.175466
7.362239
6.692053
7.210135
5.864269
6.162984
8.953475
5.994888
9.240959
7.435240
6.415555
5.916883
9.226554
# Label of molecule (48)
0.431039
# Number of Instances of molecule (49)
5
10.655909
8.892200
9.470580
10.355611
12.436571
8.707641
11.155496
9.188179
10.438183
8.909416
8.709656
10.128124
9.292343
10.017598
12.723297
10.457108
11.689246
10.898866
11.508870
11.947303
11.628656
8.875405
10.726142
9.617652
9.654756
12.189978
10.625455
10.221704
11.064597
11.797094
10.806734
11.661698
9.388643
11.422504
9.112210
7.967335
7.986833
8.836261
8.959787
11.671968
10.257864
10.516753
9.723123
6.913221
8.999630
9.423454
11.776775
8.794297
10.230813
10.895397
11.150376
6.051035
8.790775
8.700343
6.281501
8.181107
6.374427
9.160847
7.405468
6.570583
9.243424
11.537585
7.541504
5.942516
7.471490
5.589218
6.627962
6.761343
7.175483
6.658314
9.359205
8.894370
6.908267
9.062701
5.247714
6.080893
7.404377
9.381083
7.644438
7.190632
10.979500
7.088802
7.220778
5.821572
8.290352
8.348046
10.053498
4.993305
8.884723
8.622388
9.184885
9.662435
10.959688
6.679049
9.366538
10.269063
10.623470
9.199542
9.824393
8.101862
5.617630
7.191315
6.350258
10.876334
10.447382
7.596258
6.872346
5.794005
8.867434
7.834966
9.786711
9.535221
6.631639
9.315385
7.998739
8.388873
7.472925
9.931591
9.714330
11.045016
9.186824
7.310006
5.299392
8.339401
7.775509
11.032134
7.628498
10.304693
8.203599
7.470411
10.109197
6.961317
6.391962
7.208274
7.919421
8.866303
7.147079
9.613269
8.099702
10.904540
9.776893
6.006422
8.699220
6.675012
5.157846
6.864527
8.248640
6.939643
9.212759
10.623797
6.350383
10.010607
5.433267
10.698900
7.114139
10.344648
7.971832
9.135663
8.631389
6.711944
8.965208
6.326874
9.833832
6.352382
9.602201
7.234141
7.121281
8.417341
6.960631
6.925230
8.320170
6.978942
7.164983
5.977813
7.921476
7.911100
6.231727
5.931669
6.462813
6.458785
8.851070
9.428968
6.376385
7.307077
6.606494
8.650746
8.337748
5.885647
6.384075
7.007630
7.825892
8.665395
8.927366
7.011048
9.269539
6.321574
5.917631
9.197638
9.153935
7.639973
5.952177
8.984497
9.463393
8.039399
5.794702
8.329203
8.835810
8.587024
9.276498
9.068972
8.801630
7.381054
6.218543
8.814570
6.485153
7.174871
5.754662
6.274087
7.140812
9.118656
8.425642
8.881710
7.900723
8.493271
7.423048
5.604999
6.108310
6.311808
7.356639
5.808863
7.612995
8.662587
6.919980
7.046937
8.399762
7.669027
5.828883
8.659169
8.931394
7.943449
6.409345
6.048982
6.574877
8.405744
6.208167
6.514451
9.490738
7.346019
8.001923
9.509781
9.355724
8.603870
7.580157
8.210425
8.298929
8.739372
5.676412
7.260079
9.422376
7.071841
8.422956
5.569964
6.282876
6.460616
6.702933
7.049135
8.710318
6.703055
6.778375
8.138768
8.336039
6.424726
6.563402
9.027345
9.207648
7.336375
5.924100
9.418592
6.864803
8.733634
9.374279
7.731407
9.251106
6.114048
9.545915
8.602405
6.835871
5.785546
5.807886
5.568987
9.323740
9.342784
6.408490
7.808191
8.322733
7.884732
8.515122
5.802515
7.351268
7.851405
8.528672
8.813837
6.552782
8.350200
9.046144
9.033815
7.499344
7.851650
6.846126
9.291391
9.454115
8.125828
8.273293
9.188360
6.470260
9.296762
8.395978
6.540696
8.702017
7.888882
8.312479
8.999634
9.299692
7.740806
6.980407
8.725455
8.266823
7.660604
5.945097
6.993835
6.653371
7.698935
5.861812
5.316385
6.942167
7.376263
5.027192
6.907498
6.230720
6.174444
6.882229
5.587634
8.877529
8.406568
5.434065
7.076205
5.980956
6.786401
5.864864
6.583148
7.462447
8.296701
5.614734
6.159551
7.582934
8.801111
7.426313
7.790948
6.359142
8.586627
5.725211
8.107730
7.252235
5.711173
5.711539
6.588397
5.504990
6.030274
8.536821
5.128391
7.503098
6.778588
5.941893
6.853053
7.533860
8.580767
5.731925
8.045961
6.319712
8.768273
7.460738
7.070956
5.698355
6.873806
5.701895
8.160710
7.828547
7.183020
8.281075
7.946837
5.291604
5.212989
6.843287
6.608539
6.469741
6.998199
7.132237
7.512497
6.569231
8.053652
8.354808
7.220130
8.669881
8.895230
7.006745
7.737236
5.170995
5.987182
6.534318
8.880459
8.012513
6.996735
8.206977
8.636311
6.042848
5.225929
8.575762
5.387555
5.911252
6.100467
6.892605
5.881100
6.858791
8.586871
7.865902
8.813440
5.781243
6.414197
7.126743
7.908261
6.942656
7.976501
8.781213
8.361400
8.710654
7.789117
6.423353
8.528275
5.690176
8.375072
4.984832
8.727012
6.632710
5.455428
6.794214
7.035920
6.490860
7.320841
7.223426
7.956725
4.998505
5.255715
7.294961
7.819636
6.149174
5.894528
8.624104
6.807398
6.947295
6.380139
6.072878
7.469771
5.807733
7.204016
7.490768
5.605823
6.979644
7.600024
7.913755
5.389019
7.367962
6.368053
7.602100
8.608234
6.128666
5.002655
5.287576
5.901730
7.412519
8.001160
8.007385
7.858943
8.632038
5.225806
8.897427
7.862606
8.627033
7.197668
6.323740
6.550310
8.103824
6.192022
7.723930
5.766472
8.722251
6.016602
7.533250
5.882443
6.789254
6.573061
7.070513
5.680334
6.494568
7.636692
7.038408
7.586886
5.342921
8.955702
7.767922
5.199606
6.879711
7.175619
8.943739
7.678076
6.698920
8.200797
6.345882
5.647740
7.761208
8.092273
7.976424
6.235649
7.422330
6.457823
7.833720
7.784402
5.548616
6.209647
5.711097
7.121052
9.091815
7.563204
7.394253
6.256035
6.500916
6.154592
5.630284
7.386441
7.345424
7.149373
8.247185
7.079424
8.522950
5.217917
5.795694
6.509339
6.428892
6.254814
9.089862
8.626347
8.462279
8.713263
9.020890
7.127033
7.241417
8.433226
9.019669
6.107837
6.906446
8.836314
6.542421
7.270592
8.882824
8.362423
5.955489
7.559053
6.479553
7.024613
7.192465
8.099841
7.700537
7.954695
8.560549
5.322779
7.639256
7.817240
8.070055
9.137104
5.836467
7.965194
5.662633
7.034745
5.973189
8.213004
6.712958
7.001907
5.273827
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5.177755
6.107105
6.996780
6.530824
6.770211
5.645543
7.384121
8.634037
6.530824
7.713477
6.449278
6.769112
5.173238
6.085253
5.973678
6.503601
6.577944
6.272881
8.090930
6.464537
8.808603
7.638157
5.830729
6.932447
7.028153
6.434751
6.999954
8.051622
8.688360
8.656377
6.772774
5.532624
7.365810
7.562471
6.369198
5.722327
7.623753
6.760811
5.192404
7.915998
7.271447
7.718238
7.803323
7.785623
5.395901
6.576235
9.105365
5.802774
6.544618
7.147420
7.115314
6.526063
5.428251
6.964797
6.696112
8.632328
6.525330
7.262780
7.623630
7.564058
6.957839
7.761086
8.366085
6.670598
9.016251
9.129170
6.948683
6.714423
6.707709
8.005844
6.279473
5.621250
8.703619
7.447356
5.310450
6.346492
7.904126
9.227653
7.573916
8.532197
7.818064
7.736518
8.214560
9.437620
8.584689
6.908490
8.361293
9.323725
5.793344
8.453581
6.400418
9.355342
6.549715
5.828013
6.429838
8.830912
8.528291
8.179037
6.494781
8.138630
6.485015
9.531495
6.222068
6.143208
7.607486
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6.228050
8.876812
7.073901
6.548006
5.674322
8.408780
9.199820
6.225364
6.347804
8.771950
9.544435
6.000137
9.638310
5.817270
7.353938
8.818583
6.790323
5.873424
7.715400
8.712745
8.802957
6.086077
6.796060
9.183218
8.352992
9.312250
7.544374
5.823008
8.116901
8.443449
7.226371
7.059740
7.865795
9.034776
8.173666
8.889386
8.709571
9.112903
9.116199
9.477172
6.863323
9.038438
8.477508
7.501038
7.313532
6.298608
9.004624
6.112201
5.756478
8.104694
7.109180
6.387356
9.186392
8.668676
8.295373
8.149129
7.505066
8.034501
8.047319
6.027238
6.532258
7.339900
7.554018
6.638707
6.788247
9.382076
7.643498
6.758461
6.424223
7.362606
6.304468
6.358058
8.677953
6.689001
7.168264
8.386929
8.225791
6.704016
8.326258
7.169607
8.809915
7.219901
6.858928
9.296381
6.512604
6.733558
8.450774
8.880474
7.055345
9.195303
9.465819
9.057360
7.494934
6.207053
8.858867
7.601993
6.693762
7.526673
9.298944
6.537019
6.938887
6.750404
8.877178
7.609439
7.083911
7.051073
6.775918
9.508301
9.589114
5.844981
8.275109
8.700537
5.835826
7.264946
8.467742
7.758858
6.089373
9.311396
8.062334
9.055773
6.483551
6.558992
8.646214
5.701178
7.406064
7.293634
8.784524
7.596988
7.655583
5.952284
8.330531
6.481964
8.748512
5.744270
6.321192
5.847179
# Label of molecule (49)
0.404464
# Number of Instances of molecule (50)
3
10.472178
9.068784
9.297834
10.309983
12.080167
9.036315
11.039938
9.028913
10.328506
8.757351
8.479480
9.663657
9.336072
9.518863
12.687738
10.850152
11.745016
10.817860
11.564785
11.856140
12.081664
9.086746
10.893973
8.691059
7.753576
9.928457
10.818331
7.367977
9.687113
9.435606
9.213934
11.898947
11.030511
10.925339
11.664186
8.626106
7.401571
8.919949
8.650556
10.078981
8.576265
7.905877
12.154171
7.615317
7.890012
10.047214
8.733741
8.120969
11.417557
8.618640
11.171569
8.431227
7.704668
10.845372
9.378957
9.135888
6.707680
11.371224
8.164268
7.247214
6.649438
8.964202
9.163392
5.404736
7.266892
6.799148
8.755119
8.425000
8.300483
6.433785
10.586579
9.186687
9.167514
8.221002
4.975598
6.382126
8.651450
8.128393
7.404362
7.591151
9.469875
6.512563
6.010338
5.751091
8.429948
7.742948
8.398349
5.970090
8.374608
8.711587
8.323004
9.258726
8.677668
5.570041
8.319846
9.854991
7.919361
8.474745
9.733009
7.449662
7.063350
6.604945
6.266820
11.408313
9.536469
6.614488
8.094234
6.095743
9.511431
8.657605
8.092753
10.432965
6.877650
9.935041
7.366426
7.838793
8.324328
8.518341
10.485517
9.430690
6.861536
9.327199
6.648948
8.810774
7.989836
8.163664
7.263740
8.762111
7.152090
7.745182
10.560403
5.408058
8.125650
5.917104
6.657262
8.227845
10.232578
11.863510
8.439821
10.633770
9.099175
9.230212
8.244784
7.166262
7.933615
8.634711
8.953890
5.342884
10.781692
7.560166
8.954741
8.537345
7.164040
10.713896
9.413874
7.848137
7.534379
6.936534
10.059600
8.406639
6.224927
8.292135
10.496610
7.128806
8.210409
9.005591
6.998703
6.994430
7.197806
8.053667
8.398526
6.295679
7.783517
9.102771
7.546327
6.224876
8.326136
8.371548
7.447935
6.667394
7.433287
7.038133
7.985549
5.483398
7.586367
7.534364
6.456938
7.463439
8.440641
7.528626
8.856670
8.180258
8.055620
6.243309
5.772591
9.116321
8.929182
6.483428
8.777810
6.438017
7.712470
5.751717
9.186392
5.794443
5.478759
7.824534
7.053880
5.513794
5.421995
8.162435
8.293909
8.574068
6.860637
8.534150
5.786386
5.720832
6.419950
6.223777
6.354640
6.110614
7.270806
9.201529
7.482727
5.850230
7.296686
6.627354
5.651128
6.811563
7.065477
6.069353
8.164998
8.093219
8.482147
6.804361
6.347926
6.506989
8.994491
8.581759
5.979873
8.462371
6.229881
9.222648
8.851299
5.622929
5.936048
6.429594
9.308588
8.714331
8.101764
9.183340
7.668645
7.852123
8.131794
6.098529
8.374599
5.771126
7.952101
8.118244
8.768044
8.326258
5.919691
8.915754
6.354762
6.642247
8.411832
8.386196
6.436918
7.287896
7.969924
6.596103
5.987686
8.846538
6.873333
5.570437
7.642521
9.262444
7.018113
6.289941
7.683416
6.333644
8.974593
6.274926
7.890088
7.729682
9.100574
9.129505
7.132740
8.906598
5.583377
7.421690
6.583041
7.296075
6.287866
6.275292
8.416593
7.143117
9.282220
9.047227
5.882214
7.366390
8.920026
8.464446
8.615329
6.817911
6.351588
8.599826
9.065172
7.315485
9.340083
9.055895
5.918104
8.824198
8.256188
8.736305
6.385159
9.160390
9.129261
8.578097
7.232841
6.595492
6.627110
6.618809
8.431364
5.731941
5.840709
8.776223
7.294610
9.028306
7.748115
8.712012
6.987472
6.347194
7.162404
8.789773
6.425565
6.965743
7.278375
7.867382
8.897198
6.929121
8.781228
8.692724
7.926099
9.066393
8.282067
7.823069
7.931959
5.990493
7.912305
8.438688
8.281701
9.052843
5.409543
5.906384
7.011032
6.307886
7.695135
5.992203
7.226981
8.567232
5.818125
8.096637
7.064013
6.911054
7.143605
7.889599
8.070513
7.038377
6.656041
7.717719
6.899091
7.826975
5.255852
9.160756
9.178457
5.478637
8.923078
8.110920
6.437162
6.627232
8.623020
6.751137
6.959761
7.780709
6.829142
6.806436
5.446043
8.474944
6.538728
6.443754
6.350368
7.514100
8.654271
9.195425
5.775521
5.670904
5.608890
7.280694
6.797159
8.223106
9.107532
7.701483
9.091296
6.701331
7.860790
7.485290
7.742866
9.222648
9.186514
6.452910
6.108661
6.784463
8.352382
7.883862
5.609867
8.895611
7.536805
7.454649
5.328486
7.916944
8.281579
8.827616
6.285302
5.489257
7.311457
6.259911
5.270257
8.421354
7.596255
8.614597
9.104846
7.413388
6.530061
9.141957
6.206809
5.992813
9.102771
7.411435
6.337062
9.035386
7.938429
7.766060
5.398801
6.246117
6.075945
8.675390
6.168477
7.978347
8.367519
7.361873
7.829417
8.761818
5.368038
6.075945
7.187063
7.917676
7.593448
8.394620
8.437834
6.634068
6.018693
7.917310
8.367275
6.877728
8.696387
5.737190
5.854381
7.516907
5.363643
7.059130
6.553987
7.029221
5.919935
5.342158
7.634831
8.171468
8.644383
8.339808
5.447020
5.985122
8.031205
6.413724
6.994430
6.512482
6.117573
5.496826
8.086016
5.598758
9.178823
9.079089
7.042650
7.155690
5.664434
7.590518
8.833720
6.259789
7.253594
7.560732
# Label of molecule (50)
0.328629
# Number of Instances of molecule (51)
5
10.513371
8.743621
9.641877
10.791683
12.086478
8.703860
11.316489
9.264710
10.186518
8.765916
8.292656
9.936055
9.181481
10.048330
12.385213
10.640113
11.311745
11.104808
11.668194
11.910921
12.008077
9.085500
10.796624
9.593271
9.552329
12.522482
9.790955
8.415293
8.141982
10.076391
12.564321
10.159764
11.859622
8.768332
8.843499
8.976840
7.908916
9.064008
6.758252
10.638392
7.479655
10.172283
12.713652
7.087027
7.928308
10.478638
9.831237
8.804410
9.708563
9.275512
9.654812
6.517708
9.460123
11.277845
8.037413
9.619783
8.507958
9.691751
9.210691
8.593927
7.541451
9.144672
10.264683
8.369337
7.928179
7.630721
8.693757
7.521753
8.960606
8.489262
9.822307
7.170173
6.687713
8.030368
6.046139
6.860261
8.503964
9.967266
6.924398
7.406927
10.810446
6.406902
7.930108
7.586547
7.700467
8.219362
11.121301
7.380219
7.581690
7.900494
7.207225
10.287819
10.256179
6.072592
10.241964
9.278801
8.093031
7.119089
8.840472
9.915466
5.275601
7.341460
7.883231
8.767756
9.182358
7.541236
7.368154
7.696438
7.689229
8.209545
8.804677
8.467271
7.848711
8.337499
5.791149
7.436651
8.355845
10.926663
9.474106
9.309163
6.132966
6.936378
6.174632
7.349591
8.379162
11.582228
7.638977
7.334364
8.516242
6.470440
8.605214
7.922062
6.833420
5.682730
8.534454
7.895312
7.437154
8.919745
9.485541
9.545125
9.191274
9.042744
7.656746
8.242512
5.108303
7.946294
6.056992
5.681326
7.733220
7.629931
7.038729
7.206196
7.725441
9.924765
9.689053
7.564253
9.620826
6.845606
9.934956
6.393417
5.877454
8.853080
7.820538
7.235632
7.772230
7.625884
5.929518
5.982131
6.267541
5.561464
7.662114
8.801798
5.501282
5.716865
8.166524
5.411802
6.083331
8.369167
8.878460
7.975967
7.484252
5.657903
7.181875
9.157033
6.160360
7.366207
7.692511
9.183645
5.988723
5.591128
5.688910
7.095691
8.288354
6.283044
7.066759
9.044847
8.801553
7.525758
7.192007
8.523713
7.012192
6.435026
9.027512
7.401608
7.175039
6.548433
6.907453
8.638340
8.429350
7.582644
8.336573
5.553041
7.375362
5.432920
8.186056
6.523408
6.485687
8.290307
7.664068
7.988784
7.728278
8.749550
8.434599
6.633274
8.774087
5.786081
6.259362
7.623905
9.167043
8.474029
6.538179
7.777352
7.829356
7.321284
6.123371
6.532929
7.277947
9.097705
7.781625
7.604129
5.926466
9.029344
7.680303
8.184835
5.848704
8.235862
6.271447
6.585910
5.377255
6.284997
6.949690
9.176565
7.914197
8.738319
8.858074
7.503540
8.326685
7.564821
6.217978
6.467986
8.303858
6.297449
8.557161
6.429655
6.049883
7.805185
6.210654
8.116596
7.688238
8.558870
7.471801
7.214347
5.749947
9.262871
7.764290
7.510743
8.126240
5.729804
9.214774
7.468627
6.853496
5.872997
6.997665
9.105152
6.111896
8.689245
8.829386
8.049089
6.808329
7.110340
7.984634
5.654363
7.121082
6.596530
8.212424
6.042314
8.380154
5.346736
8.925214
6.948469
5.658391
8.001358
9.035569
7.249626
8.449370
6.711768
5.817698
8.045671
6.804422
5.452818
7.166860
6.170370
8.308008
5.451720
5.631169
9.007981
9.261895
7.609378
8.593661
5.487609
5.456481
5.788888
8.976241
6.135212
5.903027
6.846904
6.843120
7.051744
6.900983
7.280877
6.277306
6.699438
6.273568
6.733055
8.317698
6.048341
7.813654
7.547288
6.223151
7.186438
9.022797
6.933500
8.877529
9.661977
9.416852
7.361736
8.047670
8.748619
7.139195
8.280465
7.251747
7.209876
7.352947
6.105716
8.677206
8.767418
8.531327
9.137791
7.436689
7.185705
7.021393
8.283639
8.534501
6.850856
6.257210
6.458754
7.918394
8.714805
6.994903
7.543870
8.993011
9.482040
8.947233
7.770684
7.969054
7.914487
8.191351
6.413343
7.423383
6.127445
8.724815
6.658589
7.444746
7.753227
8.545610
7.531663
5.741081
8.847011
6.629292
5.750237
8.082095
7.409833
7.181555
8.385571
8.452834
7.403363
7.537400
7.200232
8.294382
7.132847
6.084231
7.543382
6.203375
7.871029
8.584796
6.674093
7.469527
8.600177
9.271096
6.389416
8.822596
6.745872
9.088839
6.833277
7.766167
6.778222
7.464034
6.358409
7.872250
8.554765
5.969237
6.319224
9.411115
9.281350
8.261910
9.669301
8.693075
6.964507
6.671407
8.237617
7.495529
7.231239
7.811213
7.560472
7.951231
9.391461
7.586962
8.142766
6.272347
9.616443
7.979431
8.023621
8.685751
9.110813
5.976196
9.522202
6.953276
9.151097
7.025544
7.038118
8.854823
8.866176
9.390240
6.781030
9.005097
7.635304
7.772881
7.305704
7.382977
7.978576
6.592181
7.726127
8.946623
8.813929
7.280313
8.484695
7.708182
8.956389
7.979919
7.550584
8.646443
6.735618
8.014588
8.923917
6.828272
7.603931
7.507248
6.318003
9.118503
9.613147
6.521989
6.897855
5.847896
6.631733
6.105716
5.947142
5.819819
7.181677
7.600513
9.340800
6.025636
8.765099
8.607257
6.696188
9.447615
9.559313
7.971007
8.080630
6.089999
7.071596
8.159764
9.530168
9.374767
7.498733
6.365398
8.407086
8.101779
7.613483
7.673666
8.705191
9.545427
8.064791
7.310617
6.501877
7.629597
9.429212
8.111545
6.430219
5.930204
8.620228
9.423963
7.443068
8.323954
8.977905
7.097842
8.946165
5.662496
8.912961
7.936125
9.172124
8.843989
7.980071
7.981292
5.672750
8.658193
7.256783
6.012970
5.802393
8.780267
6.901669
5.631611
9.068972
8.287698
5.766259
9.302499
9.227790
8.076266
5.938749
5.736229
5.991119
9.548235
7.090152
5.980865
6.232093
7.950407
9.501846
5.597552
8.553331
8.734855
6.646413
8.300516
7.099185
9.317881
6.199744
8.429670
8.485824
6.613208
8.356426
7.636311
5.721458
8.712638
8.325053
7.154485
6.995544
7.091006
7.879360
7.032411
7.209418
7.709067
6.837214
5.700095
8.124485
9.389904
7.346507
7.249336
7.001648
7.843837
5.847926
5.796655
7.609455
5.717063
5.595721
6.310709
9.473281
7.038148
8.604968
7.273141
9.241829
8.438093
7.905850
8.550645
6.046052
9.519181
6.976623
5.854518
8.726066
6.747246
7.231025
7.159612
8.797845
9.242073
6.436323
8.459212
9.039918
8.841060
8.935057
8.232154
7.570757
6.812067
6.546800
5.994659
7.293283
9.589007
7.025452
8.313578
6.582202
7.906095
8.944578
7.655354
9.088015
7.705893
7.888638
9.446669
8.533311
7.194769
8.824091
8.719230
6.376629
8.423444
9.523698
7.718345
6.218177
5.764061
5.922269
7.844447
6.822565
7.662557
8.276589
7.307443
5.633808
6.037629
7.003479
5.866482
6.658620
5.704855
9.075198
8.030610
8.589343
8.198218
7.842494
6.095004
7.047060
6.364910
7.163030
7.813913
6.414212
7.814890
5.642827
5.365596
9.038438
5.821909
7.275567
8.443327
9.061144
6.766030
9.136586
5.694220
6.371364
5.932142
6.464629
8.782449
9.202506
6.166036
6.338160
7.498596
6.463775
6.262597
9.236808
6.269921
8.502045
8.189779
7.720527
6.442656
9.166860
6.523835
6.101581
8.713233
8.056719
5.470336
6.982467
8.082720
5.819102
6.846110
8.537202
7.710028
7.380795
6.396756
6.408353
8.038530
5.981826
5.825938
8.098834
5.570437
6.890667
5.909803
5.727302
5.666021
7.672552
8.072954
7.029221
7.739326
5.888806
5.799692
6.472442
7.229057
7.099780
9.256951
8.367275
8.717139
8.048296
8.502411
7.840892
6.570467
7.897168
6.654332
5.557497
7.482360
6.397000
8.396939
6.052385
7.285211
5.858165
7.195853
7.559999
8.413907
7.802561
8.601901
9.209098
6.391018
9.170400
9.012680
7.458922
7.711859
8.956160
7.272637
7.654729
7.501282
6.149556
8.483245
6.572542
5.320429
7.856761
5.398068
7.834300
7.496277
8.474578
8.780862
6.062395
6.349147
6.796304
8.097369
5.653325
8.695166
5.921155
5.919935
6.042497
7.995071
6.843425
7.416929
7.336970
8.528169
8.596896
8.303186
8.189169
7.964064
5.827769
6.627110
5.789438
6.707801
8.674780
5.768197
5.849620
6.393704
7.825022
6.019791
8.453948
5.901868
5.628544
8.134724
5.652348
9.274529
8.140339
6.204245
8.671361
5.904065
6.966842
9.251091
8.615818
5.371456
5.793466
8.904767
8.539766
7.306574
8.466521
8.541353
6.757729
8.647191
7.503235
7.256767
9.274407
8.671972
5.908460
6.052263
7.205130
6.181784
7.170827
5.604862
9.066027
9.204459
6.311426
# Label of molecule (51)
0.377464
# Number of Instances of molecule (52)
4
10.213424
8.758955
9.388021
10.293770
12.482154
8.881770
11.135810
9.098018
10.690175
8.510964
8.593899
10.062114
9.291587
9.758961
12.298055
10.398554
11.474710
11.269225
11.391989
11.923609
12.051612
9.102312
9.502593
9.912220
8.037451
9.572541
9.562316
7.323603
10.377999
10.555394
10.422734
10.907542
11.543780
9.851175
9.483016
8.832021
8.524526
8.347862
9.122402
11.948415
7.590930
7.723225
11.151062
8.871035
7.526992
11.189922
10.441014
8.433147
10.023886
8.958842
11.061258
8.121830
9.552736
9.408542
7.948517
9.975211
7.366009
11.625729
5.946820
7.433762
8.640909
7.745853
6.820556
6.411480
7.243796
7.723939
6.665623
7.940878
6.488301
8.845078
11.074621
8.557605
7.822256
7.489327
6.632072
8.344532
6.705431
8.646436
6.845570
8.500544
9.937422
7.121679
7.009500
7.381808
7.349415
6.046352
8.958527
5.923011
7.344350
7.881929
7.550766
8.074825
8.901316
8.068491
10.161954
9.220685
9.624925
6.458593
10.213028
9.980686
6.672831
6.865598
5.559898
7.742242
7.547087
5.902734
7.559712
7.971834
7.362414
5.679837
9.693847
10.288500
7.354252
10.737100
8.008856
9.243308
7.276148
10.623605
7.780538
8.713913
7.724607
8.600054
5.876205
6.627811
8.195566
11.855085
8.835812
7.198519
7.454246
9.253047
9.151034
5.672181
7.392856
5.392265
6.993356
10.629257
9.056393
11.322249
8.358426
10.384801
8.640620
7.863666
7.212824
9.306385
7.509658
7.349468
6.872872
6.302091
9.336756
10.470564
7.621799
9.471319
5.729601
11.607761
6.736865
7.422140
8.482138
9.645256
10.540863
5.377709
8.673060
8.237233
7.669432
6.946709
7.126224
9.443759
7.196829
5.663091
8.252037
5.214225
7.727729
8.197104
6.824381
5.185049
8.287683
8.764382
8.706763
7.377743
5.177114
8.315638
7.282769
6.562532
8.281457
7.548158
5.000351
6.118793
7.745552
6.762490
5.026963
6.763833
6.579257
8.055620
5.522706
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6.115375
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7.448424
6.320215
6.418851
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6.876995
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6.515290
6.428251
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6.470122
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6.108661
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6.386502
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6.152730
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6.063372
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9.079089
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6.527375
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6.557558
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6.894848
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5.162862
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7.960799
7.816263
6.379208
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6.122608
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5.523835
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6.023728
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8.338130
4.973647
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6.225517
8.626347
5.111713
6.069628
8.282586
5.178488
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6.274224
5.461333
6.035691
5.862468
7.091510
6.306818
8.031602
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5.756020
5.374538
7.953841
6.006638
6.043870
6.626652
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8.253899
8.226066
4.954115
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6.009079
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5.986373
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6.341243
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7.554292
5.696081
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6.335749
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6.631413
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6.095630
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8.912854
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5.889447
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7.248741
7.248863
8.423948
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4.934584
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6.577700
7.046709
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7.784402
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8.295892
6.419004
6.004440
7.049638
8.610111
5.695349
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7.127522
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6.117237
6.804025
6.725898
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6.428037
5.006119
7.636204
6.722358
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6.936476
5.519440
8.705451
6.971267
4.931532
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5.594150
6.216727
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8.676397
6.270928
5.331690
5.673132
5.053484
5.091693
5.591464
5.407254
5.988571
# Label of molecule (52)
0.301100
# Number of Instances of molecule (53)
4
10.319473
8.690971
9.433932
10.724366
12.637922
8.961569
11.461719
9.130098
10.201857
8.731140
8.614024
9.784485
9.471202
9.676424
12.613688
10.695036
11.786595
11.138741
10.077048
10.144191
9.660343
7.645074
8.909497
7.300194
7.834197
9.740601
8.295763
9.767435
9.532174
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10.471004
9.606609
10.901583
10.681702
10.743055
10.530795
8.657460
8.398463
7.930658
9.488666
10.124072
9.903537
11.966730
6.635079
7.383690
11.022647
10.520430
8.200730
9.369988
8.940097
10.517978
5.866196
7.214079
9.354511
6.082272
9.231781
5.883835
10.539978
8.499251
6.595325
7.341237
7.911573
7.505528
6.152108
9.814557
6.344395
6.806985
6.225954
7.283399
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8.754738
8.684572
7.678362
6.422314
5.596450
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7.080800
5.200953
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8.557670
6.341488
7.187123
5.989992
7.386444
10.732664
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7.251206
9.101524
7.264674
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7.860090
7.941936
9.354351
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10.463634
8.542940
6.488031
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10.217908
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5.887364
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10.540680
10.519915
10.570861
11.098192
6.663720
8.388153
6.118039
6.599425
6.379369
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7.991473
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6.337536
8.683789
8.461443
5.596543
6.433551
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6.004094
10.150805
7.440463
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8.164117
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10.551282
6.452858
9.034604
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8.478362
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8.933576
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8.370083
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6.952559
6.999557
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6.165059
7.175832
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5.877209
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7.311213
6.379666
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9.015503
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7.286203
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6.886532
5.333872
5.829615
7.573687
7.423414
6.883236
9.068972
8.486190
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7.315134
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8.262185
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5.924711
5.177496
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6.607349
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7.808435
5.475967
5.438246
9.036256
6.779473
6.082430
8.186377
6.117344
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8.320780
5.880032
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7.359935
5.965117
6.408124
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6.359661
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8.755119
6.528001
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5.329722
5.669698
6.537767
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5.811060
8.658559
8.214942
5.797388
7.405713
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8.461409
6.206091
7.825892
9.057009
6.431684
5.474013
8.096286
6.917539
7.048280
5.328745
7.463454
6.804498
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8.030854
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7.873623
8.227882
6.947081
7.832362
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7.217597
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7.529740
8.202246
6.964904
8.293191
8.642323
8.504257
6.026032
5.269295
8.713981
6.479781
6.907041
9.102298
7.041078
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5.297250
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6.180456
7.916593
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9.087771
8.366314
6.540941
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7.670614
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6.641285
8.706778
6.168859
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5.357189
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5.282846
7.224067
7.038514
6.133091
6.256996
6.933775
7.523392
5.426405
6.189978
7.954314
8.562243
# Label of molecule (53)
0.256439
# Number of Instances of molecule (54)
4
10.408537
8.691145
9.730846
10.572297
12.101137
8.997409
11.550107
9.317314
10.197211
8.859277
8.478396
9.889206
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10.023223
12.278208
9.955179
9.526520
9.298935
11.219366
11.844207
9.351211
7.324582
9.741286
8.041922
9.063094
9.234701
8.921547
9.746042
9.765078
9.604354
12.281937
10.859285
9.303576
11.351856
8.903683
10.463994
7.798138
8.874418
9.138399
11.304703
8.398469
9.093210
11.088545
6.740445
7.210564
10.450152
8.494758
8.766020
10.538868
9.057414
12.054170
5.923866
7.401306
11.035966
8.148667
9.605092
8.248322
9.898041
6.205831
4.986798
6.224337
11.019754
9.630433
6.247005
9.702780
7.192864
9.245033
5.627544
8.247958
8.578762
7.646863
8.278048
8.446920
8.772364
7.450835
5.762972
8.691223
8.845554
5.142446
9.439517
10.597286
6.271532
6.983383
6.967007
7.795980
7.963708
9.738768
7.080326
10.446935
7.056315
8.262082
8.456776
8.100704
6.976455
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6.283349
# Label of molecule (54)
0.281664
# Number of Instances of molecule (55)
5
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8.917631
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5.711356
5.915586
6.182073
8.259285
6.776208
6.092593
8.619114
7.707709
5.537233
8.295007
5.038072
8.098224
7.266289
8.133869
8.412320
4.997177
7.517884
7.423032
8.142170
7.475768
5.340938
6.155904
4.934187
6.260033
4.998276
8.074297
8.419034
7.415342
7.674505
8.143635
6.293725
6.083026
5.145863
5.771737
7.362850
7.148366
4.786111
5.644658
6.851238
5.712653
5.281732
6.053362
8.367885
6.245262
8.435392
8.589450
6.890301
5.289666
6.427763
5.081530
7.149953
8.600436
5.917982
7.649968
5.789560
7.583193
8.353114
5.752693
7.669012
5.916028
7.863720
8.099200
8.695288
5.224723
6.121479
5.306269
7.549989
8.687231
5.531983
7.170705
6.691931
7.443541
8.138264
6.434721
5.005600
8.685400
5.610233
6.917890
6.475494
6.299951
7.696356
7.892163
7.257622
4.943587
6.509430
6.573153
5.524415
6.420560
8.024369
6.604282
8.459075
5.240593
8.161824
6.407620
4.771706
6.232078
4.832255
7.277398
5.115955
7.084643
7.317316
7.090381
6.776894
6.695959
6.359401
7.508240
5.009140
6.198752
6.340846
8.547823
7.397763
7.542543
6.920454
6.392727
5.616459
8.504608
7.508728
8.322962
4.962142
7.005783
5.952528
8.635960
6.034318
5.606693
4.805887
7.434996
6.940596
5.057237
8.562593
8.160848
8.399503
5.777352
5.222770
7.738594
6.116840
6.141011
7.573550
7.218436
4.811136
8.440764
7.551820
4.782937
6.261132
5.407102
7.071581
6.996506
5.753059
6.157002
6.684484
8.171957
5.300897
6.447050
7.453063
5.729377
6.014908
6.107074
7.408750
5.422483
7.993606
6.527497
7.971267
8.306970
8.114338
7.076830
7.704779
5.325068
8.097736
5.324458
6.783120
7.384457
7.219047
7.941603
# Label of molecule (55)
0.222423
# Number of Instances of molecule (56)
5
10.715240
9.011703
9.375516
10.742404
12.212515
8.896458
11.206279
9.000519
10.382951
8.966575
6.882235
7.484952
6.839525
8.495792
9.590788
10.645403
8.913383
11.141112
9.260456
11.514753
9.275608
6.468724
10.360971
7.146149
7.123132
11.216770
10.098675
9.808165
8.519522
10.992497
10.133006
11.248852
12.251610
9.757111
9.566323
10.656430
9.609594
9.535078
6.617261
9.996677
8.879972
8.604901
10.006962
7.112446
8.379038
10.098641
10.261058
8.017315
11.738175
11.428512
10.669896
6.716654
9.672148
9.935848
9.037002
9.026055
8.216390
9.855610
7.717491
7.257928
8.591283
9.821377
9.856807
8.050067
7.504500
8.282009
7.308528
6.368198
7.375080
7.078474
11.075921
9.080846
8.138329
9.033389
5.226075
5.707606
8.472037
7.984668
5.903507
8.402360
7.793728
8.206718
8.214839
5.622353
8.941732
6.542432
10.379379
7.449539
9.491779
9.210689
8.629296
9.917373
10.102714
6.271916
8.714040
10.296789
10.362619
8.091559
9.178649
10.274117
6.037937
5.755921
6.077842
7.568296
10.187693
7.955170
7.388757
8.383168
8.151482
7.868465
9.556943
9.633874
7.582794
11.024828
6.057861
6.214205
10.554662
7.667375
9.494076
9.418307
9.243817
8.731929
5.277537
8.466029
7.953176
11.277742
7.647115
10.012434
7.009719
8.624111
10.629455
6.540375
7.281775
7.930349
5.610746
7.887847
8.757163
9.890776
8.497657
10.972841
7.772189
7.919690
7.449441
8.468548
5.853632
9.602838
8.610867
7.078742
9.114024
10.580647
8.639963
9.264423
6.677739
10.501042
9.014924
8.933333
7.193920
9.387906
9.753068
8.114477
8.240634
7.027279
9.366008
5.815036
7.991483
6.991584
8.330409
7.325983
7.158986
7.322199
8.312098
8.627781
8.206381
7.416929
8.398892
8.773659
6.522126
7.626408
6.246849
6.425565
7.496765
9.226310
8.689550
6.301050
9.024400
5.805063
8.263756
8.850688
7.573061
7.125416
9.292108
9.395260
7.496277
8.383023
6.393460
8.101276
7.462706
9.239372
8.299768
6.165059
7.877026
9.003159
5.850475
9.584231
9.169179
6.334864
9.043809
7.889233
8.824442
5.849498
8.016190
9.211661
7.031541
7.993240
6.827311
7.062670
8.823344
8.568209
8.924055
8.198080
8.583590
8.281091
7.159963
8.943587
8.796243
6.689489
9.243767
9.356807
6.913129
8.922956
7.492492
8.599948
6.211692
7.550356
7.765450
6.897504
8.521943
7.972976
6.450835
9.456908
8.694189
7.715033
6.384426
5.722541
8.684545
5.986831
8.570772
7.343318
7.132862
5.898083
6.585360
6.224021
6.307520
9.693487
8.531709
8.039018
8.292199
9.386227
9.426756
6.580844
6.289819
9.166860
6.891888
6.320826
6.919721
5.958754
7.024583
6.554964
9.380856
8.498260
9.322382
6.510651
9.356929
9.311762
9.538209
8.789407
9.540651
5.967910
9.340815
8.521088
8.647435
5.977676
7.653142
9.603763
6.798990
7.716987
6.546907
7.403378
7.147023
7.748970
6.566439
7.291925
7.615299
6.918989
8.356532
6.393582
6.633091
9.598758
7.470885
7.919141
8.736915
8.452605
7.235038
7.459777
5.913343
9.103504
8.538911
8.618137
8.559786
7.072192
9.433226
7.348811
5.936171
7.364315
9.407468
6.386380
5.986465
7.081225
7.220389
7.133229
6.398953
7.429380
7.162160
8.383511
6.786782
7.502991
6.619541
7.258354
5.858409
6.215232
7.821970
7.726875
6.043870
7.490936
8.741707
7.331751
8.725593
8.192251
5.979293
8.213004
5.421415
7.356899
6.846141
6.393246
7.405972
5.399808
9.076189
8.293329
8.844127
6.102954
6.363704
7.856426
7.990219
7.526826
8.979629
8.019395
8.692022
6.132984
8.380245
5.330958
9.073260
7.493377
7.683569
6.093921
6.271050
6.958205
5.887249
8.405271
8.104724
5.662877
5.704505
6.470763
8.546510
5.243309
8.891491
7.567110
5.874187
6.638615
8.941908
6.027390
8.377682
8.354122
9.024186
8.626347
6.494690
5.560213
7.035966
7.736549
8.252312
5.403226
7.650243
8.636113
8.887341
7.900739
7.228843
7.337489
7.521088
7.798563
7.478240
5.315455
5.765419
6.763741
7.722755
5.509064
5.131611
7.288659
7.669164
7.970931
6.119800
5.680090
6.539613
5.540803
5.863323
7.510712
6.445860
5.917890
5.202048
6.904859
5.880902
8.505005
6.061327
9.036882
7.202841
6.403012
6.009445
5.213767
7.986312
5.928144
6.871166
7.920881
8.115345
6.026292
8.269280
7.200766
6.493713
5.963546
6.972854
7.745705
7.248375
7.662450
8.923231
8.074206
5.298242
9.063005
6.815744
5.169698
7.167074
6.882641
6.111499
5.954390
8.911878
5.148091
8.352535
8.974258
7.044877
7.877178
6.657659
5.669836
8.322260
8.282830
6.273247
8.609378
6.273858
8.876720
9.052751
8.054918
6.352718
8.844981
6.741035
8.242302
7.573702
9.074114
5.939375
8.745491
6.521668
7.198325
5.624546
6.302667
7.600803
9.046892
6.096850
6.477233
5.401273
8.864147
6.234062
8.530763
7.058184
8.678472
7.924543
8.881481
8.477660
5.193503
8.554933
6.523377
8.304804
6.580142
8.427244
7.782327
6.448622
6.247932
8.930876
9.480331
8.165593
8.460646
5.854854
7.392865
6.020997
7.722831
8.501785
8.778649
9.373882
6.083499
6.963286
7.693045
8.156316
6.863552
7.466231
7.268471
6.244514
8.302072
7.035432
8.294015
5.884518
6.163579
8.899991
6.692526
6.046022
6.680563
8.515824
8.273019
7.583300
9.207739
6.081057
7.130284
8.073550
7.960875
7.418500
8.068056
7.211463
8.218818
9.099826
7.420820
5.633168
6.358776
5.687002
8.649617
6.044069
9.104953
6.967559
7.084506
7.527146
9.361187
7.053621
8.192816
5.906125
6.005982
9.226905
5.744255
7.037385
9.022797
8.398144
8.249580
5.907590
9.340800
7.060213
8.048402
6.410169
6.762963
6.607807
9.419904
6.677267
7.353679
5.899411
6.091678
8.840663
7.663015
8.936857
8.523759
6.097537
9.161718
9.535752
7.337931
5.956786
8.262398
6.865017
9.273782
6.538591
9.301370
7.727836
8.040956
8.804529
5.856197
9.458235
6.445936
5.592395
5.775140
7.312662
8.167180
6.330943
9.291604
8.226630
7.552782
6.308115
7.599292
6.814112
7.817560
7.370159
7.264809
9.484848
8.013855
6.925199
7.849544
6.552263
9.149022
6.126225
6.118168
6.210822
7.828547
6.108890
6.208747
6.253182
7.796319
7.158727
9.137181
9.406110
5.747917
7.683767
9.013886
6.157720
5.794305
5.865963
9.346538
6.953520
6.946318
8.868496
6.802149
7.631764
5.999756
8.470779
7.807672
5.978515
8.192938
8.010437
9.358745
9.274514
8.012879
7.503342
9.415998
6.707297
8.524491
7.819269
6.262581
6.528703
5.599231
8.786706
8.196722
7.826472
9.416486
6.102298
8.934904
6.789819
5.612415
5.920652
6.102420
5.723640
5.909558
7.740791
8.140095
5.991958
9.035752
6.666051
6.234886
5.436888
8.980087
8.559420
5.525025
8.156209
5.743171
7.571108
8.128864
7.472350
6.097308
5.880383
8.139363
6.975387
5.466185
5.904920
8.812357
7.369686
6.516388
8.003861
6.404569
6.000626
7.834910
7.547182
9.033921
5.937147
6.067278
7.228568
8.939070
5.481811
8.891583
6.493927
8.512177
8.987289
6.203146
7.962844
6.479766
5.851573
8.886578
6.717444
8.607761
6.569369
6.546419
6.332911
5.304193
6.710364
5.575808
7.525575
8.495697
7.705634
6.935469
9.292840
6.152364
5.310297
9.017685
8.420866
6.836344
6.624424
6.972457
9.233512
8.648412
6.539827
5.869152
5.459838
8.948103
8.495331
7.069018
6.092303
9.222648
8.408048
9.183706
7.113086
7.478698
6.662755
6.994186
8.962386
8.533418
7.028733
5.707282
5.623661
8.577609
7.381527
5.920667
9.201895
8.389004
9.105457
8.676000
7.867382
7.567446
6.049699
7.971633
9.043809
6.169454
7.915113
8.112140
5.711310
6.115986
6.944380
9.268059
5.704474
6.748573
6.793008
6.621738
5.874035
6.908490
6.454985
6.475127
6.994186
7.915601
6.116840
8.691504
7.284356
5.818735
7.818430
6.849773
6.425199
7.296930
5.791147
7.484558
5.940687
5.581545
7.352962
7.786569
5.822275
6.778726
7.231620
9.139027
7.271050
6.964400
8.192953
5.865368
5.431272
6.428007
6.849528
6.563387
5.991836
5.439329
5.522828
7.398251
5.529054
7.914747
9.036485
6.734291
5.467406
5.354976
7.312067
8.475677
7.532289
7.434019
6.647862
7.493347
8.569552
7.608341
6.548738
8.513886
6.607334
6.127583
8.988388
7.843211
# Label of molecule (56)
0.269965
# Number of Instances of molecule (57)
5
10.776507
8.904188
9.750221
10.234084
12.289867
8.807773
11.507845
9.047842
10.337509
8.995361
8.559018
9.849246
9.697030
9.863219
12.276195
10.279406
11.292838
10.038590
9.887490
11.557012
9.768812
7.580578
8.495942
7.507226
8.307536
11.732676
10.090264
7.808632
8.636222
9.919808
12.627278
11.021171
10.576183
10.018714
11.654689
10.775178
9.501236
8.333300
7.564819
9.747349
8.230244
8.568656
10.938811
6.470632
7.722708
9.857053
11.453717
7.478352
11.663523
10.428547
12.624422
6.532430
9.270704
9.128379
7.261578
9.736024
8.235950
10.641545
8.272689
6.773241
7.827047
10.105801
9.948351
6.825756
9.432462
9.307849
8.831449
7.701336
7.726205
6.729207
10.118513
7.867131
9.070253
6.003168
5.969891
7.463499
9.437575
7.402772
7.063246
6.969875
8.780530
8.241477
6.596532
8.021358
6.916135
7.471863
10.172485
5.274756
8.266857
9.265350
7.450688
7.393852
9.486692
6.018913
9.438465
8.212383
8.813657
9.198076
7.023888
7.405717
7.289505
8.790267
7.352752
8.115017
8.571306
7.800777
7.413384
6.047884
10.740584
6.305118
9.257907
7.910617
7.122879
11.446253
7.794713
8.964603
7.810782
7.991171
9.352984
8.050190
6.621132
8.812792
6.903856
8.203170
8.652184
10.515493
8.193472
7.231408
7.907875
6.355934
11.076844
7.581737
7.640586
7.156127
6.740469
8.656333
9.526911
9.733522
7.732309
9.048810
9.980403
6.180477
7.904620
7.394881
6.335927
7.398061
6.694720
8.156326
10.840173
7.522339
7.564166
7.613319
6.472562
8.953257
9.457985
7.348173
7.746607
10.178940
10.697822
5.761226
6.197113
8.512646
10.284791
6.988515
7.455810
8.118614
7.493347
9.290765
6.198263
8.812845
8.121540
7.650945
5.726325
7.393368
8.385098
7.969680
8.648045
5.428831
8.894024
8.368984
8.240684
8.641820
6.808878
5.941908
7.582583
9.074450
6.690222
6.557894
6.459746
7.280084
7.557924
5.658330
6.422758
8.693945
7.537904
5.920545
6.365627
7.057421
5.468993
7.663396
7.004563
5.774300
8.845561
5.870006
8.629002
6.069842
7.471007
5.703742
8.501556
8.829936
6.198386
6.389431
6.281396
6.995163
8.130451
9.338740
7.846385
7.385434
5.656133
8.390957
7.887402
6.826945
6.699011
6.048235
5.653081
5.461669
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8.267647
# Label of molecule (57)
0.297395
# Number of Instances of molecule (58)
4
10.343872
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8.455046
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6.735145
6.860149
5.819224
8.624851
6.047746
7.951613
8.241661
7.831614
7.758492
5.452025
6.297143
8.277551
8.024857
5.806284
5.716681
7.760689
5.902966
7.677435
9.011582
9.015976
6.671545
8.484222
7.214530
5.810678
7.459532
6.147481
5.614505
6.188375
8.055254
5.425169
5.357540
9.235343
# Label of molecule (58)
0.369732
# Number of Instances of molecule (59)
4
10.709603
8.986704
9.287147
10.695358
12.396995
8.864591
11.180776
9.480710
10.086420
8.555954
8.475499
9.632003
9.573693
9.842534
12.423442
10.304711
11.475517
11.193326
11.370612
11.642831
11.709509
9.013402
11.199982
9.507981
8.681500
10.894207
9.324493
8.971508
9.841953
10.403490
10.835026
9.151139
10.423890
10.871949
9.769069
8.129470
8.345606
8.389522
7.139737
8.984860
8.325005
8.392949
10.330585
6.789135
9.020542
11.391935
11.126346
7.878829
11.639020
10.557568
10.057259
6.551975
8.424880
9.235698
7.457630
10.295343
7.614862
12.240470
7.351097
8.086551
7.521787
9.853744
9.196278
8.907051
11.024695
8.001054
6.590727
7.570946
9.464002
6.605404
10.400298
9.177483
6.994664
9.317017
4.970397
6.657220
7.449203
7.389460
5.112578
6.582018
7.494659
6.256579
7.162526
8.040679
8.450983
8.079181
10.200126
7.754993
9.966794
6.726277
10.402536
10.496964
7.853983
6.865545
9.263568
8.390120
7.893299
7.970602
9.000142
8.379367
5.511397
8.223217
5.663620
9.186406
9.362389
7.804204
6.851456
7.006993
9.651859
8.293341
8.229657
10.100265
7.564351
11.171310
6.940520
8.823262
9.938429
11.058043
11.220450
11.851755
7.921283
8.718626
7.419113
9.308950
8.688251
11.401215
7.415351
10.047853
8.663165
7.688351
10.821342
6.062116
8.799879
6.373151
8.554859
10.368600
7.085424
9.459666
7.648474
8.112654
8.094880
7.869650
8.878913
6.596869
8.034783
9.744449
8.343232
6.364829
9.123136
8.008425
6.358902
10.152495
6.338801
11.556362
9.810764
7.607858
7.805698
7.048888
7.832399
7.704205
8.407316
8.167503
10.242180
8.311530
8.665671
8.562311
8.216071
5.352458
5.704276
7.113498
6.974700
7.100070
6.848476
6.342479
7.187109
8.649434
7.706900
8.330943
8.019776
5.362712
8.337779
7.073214
7.172582
7.362774
6.706137
7.084811
7.771477
8.020386
8.103153
5.370281
7.158666
7.372173
5.901303
9.009308
7.957152
7.342753
9.020783
8.232917
5.781915
5.646535
5.481491
6.870205
5.977477
5.244179
5.416791
6.034120
7.750603
6.228706
8.922269
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8.078738
9.017121
6.115543
8.631367
7.766350
7.719596
6.782800
6.784875
8.023927
6.566485
6.985199
8.975127
7.946532
6.262154
6.002380
8.767113
7.264992
9.145054
8.985870
6.218451
8.745994
6.026673
8.698141
8.761498
8.615131
5.586474
5.714896
8.326914
5.378704
9.194739
8.460707
8.586688
7.419660
8.041139
8.456069
6.186834
5.739921
5.443037
8.151860
7.849483
8.228889
9.208777
8.723655
7.215552
5.827815
8.928861
7.201514
7.305155
6.969573
7.074313
6.311716
8.470717
6.665487
6.773156
6.404004
7.715934
6.616779
9.141758
6.839686
5.258950
8.723045
7.046236
6.215522
8.210822
6.365551
8.168340
8.799463
7.246559
7.838618
6.251167
6.550615
8.144902
8.303476
5.399091
8.102542
6.067446
8.641621
8.308603
8.079470
8.458632
5.581469
5.301553
8.126591
6.433546
7.473373
7.041108
7.023896
8.537370
8.087161
5.799371
7.262429
8.743553
8.809717
8.157231
7.455550
6.570757
5.614917
8.007202
7.961303
7.192480
7.182348
6.736534
7.091525
7.412091
8.539445
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6.601520
8.213141
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6.219611
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6.686911
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6.971343
9.380108
7.012482
7.806574
8.644856
8.955535
8.578936
6.307260
6.244026
7.492843
9.260598
6.576556
8.100894
6.539323
7.817682
9.154759
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7.164220
8.788659
9.306497
7.833186
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6.700217
6.209601
9.221412
7.023957
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6.792749
8.267525
7.856380
6.980987
8.595660
7.024201
8.277535
8.382641
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6.528703
6.011963
6.531144
6.406140
9.618152
9.752678
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8.126530
7.924863
5.930174
9.197974
7.377239
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8.446730
7.342204
9.738517
8.930998
8.742027
6.164068
9.058565
7.849910
9.573595
8.520707
5.979492
7.674368
7.880428
8.807337
8.485549
8.488357
6.109745
6.707297
8.848964
5.918332
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7.887387
7.842586
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6.547136
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6.679342
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6.855373
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6.876492
8.327708
7.342570
9.504135
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5.991455
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6.223640
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9.168432
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7.196448
6.310190
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7.134922
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6.875515
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7.568529
6.774316
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6.115970
8.771203
6.076174
6.002197
5.404767
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5.193945
6.038087
6.386731
8.784143
5.253151
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5.414167
5.786737
6.460707
8.877041
5.900021
6.765648
6.524186
7.926817
6.852321
5.090426
7.541551
5.320292
7.088046
5.359722
5.258889
8.755699
6.002441
7.476363
8.569781
6.890774
7.768487
8.559648
7.131504
5.815180
5.838862
6.067263
6.974761
8.667318
6.630268
7.504440
7.979308
6.776879
5.260720
6.092776
7.092074
8.706381
8.217231
7.776299
5.162816
7.563402
7.827326
8.936857
5.271828
8.964812
7.412030
6.197027
8.424879
8.020936
5.991577
5.683340
6.489273
5.721061
5.421735
5.125095
6.249763
5.090670
8.835170
8.164495
8.453322
5.497543
5.261086
8.252510
7.723319
7.481246
5.302103
5.506211
5.215552
6.481704
6.737693
5.901364
7.891293
7.839900
6.934355
6.176275
6.281381
5.448469
8.935514
5.821406
8.619709
8.424879
6.104617
5.530381
7.217200
6.182501
8.199896
5.486312
6.953520
8.277169
5.751823
6.859401
7.761162
5.399152
7.622120
5.890622
6.976226
7.892148
8.615558
7.936094
5.432112
8.167058
6.023072
6.847072
7.169591
7.391888
5.969237
5.061739
8.639363
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6.438246
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7.272378
6.196783
5.856197
6.614032
5.291238
5.426374
8.101871
6.036622
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8.822718
8.092593
6.905301
7.617237
5.930784
8.656209
6.104373
8.426466
7.152867
# Label of molecule (59)
0.331447
# Number of Instances of molecule (60)
5
10.694547
9.157912
9.804292
10.831351
12.260093
9.207587
11.405872
9.115954
10.598851
9.027253
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12.502481
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10.788834
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11.792388
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12.381170
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10.618134
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10.663597
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10.556826
8.093265
8.425478
9.593697
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9.293051
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8.401225
11.067451
6.500516
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10.349254
10.120933
7.460093
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6.036235
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7.678829
7.439203
11.410703
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8.684501
9.628397
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6.133592
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6.271937
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6.507624
8.630066
6.985649
5.345137
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8.039721
6.528556
7.748806
10.396563
8.468942
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7.731550
7.836037
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10.974435
5.431283
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9.994315
6.202054
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8.465549
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7.291538
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7.451493
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10.195159
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7.999954
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6.281884
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5.827280
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6.234153
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5.932752
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5.688406
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5.124546
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7.003998
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6.512894
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7.553407
6.012467
8.408536
7.850291
5.756600
8.996200
7.745552
8.177572
8.706763
7.400204
8.875835
6.845866
8.987411
8.891339
6.617832
9.016587
5.549928
6.801065
7.265313
6.323023
6.449370
7.582217
5.599612
6.557894
6.978683
8.695288
6.739906
6.477203
7.576235
7.798776
8.202353
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6.120869
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8.854839
7.318415
6.883831
6.981857
8.020341
8.565645
7.659124
8.311731
5.712897
6.315577
7.527284
5.585574
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8.840068
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8.079058
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5.979873
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6.088763
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7.220023
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7.978103
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6.619663
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7.112262
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8.607059
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7.652684
7.696509
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8.888318
7.198935
6.630924
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6.580996
5.299707
5.429228
5.384182
6.359920
6.988479
8.291986
8.083605
8.626347
7.977157
8.188223
4.972060
7.947615
6.715400
5.438871
5.114277
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6.502258
6.261650
6.228568
8.860363
6.529115
6.650212
8.896374
5.441069
6.726875
4.966811
8.265862
6.082080
5.292993
8.618778
5.121235
5.034196
5.772378
6.196585
8.195425
8.793954
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6.448790
5.598056
8.136097
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6.295099
8.103504
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6.111499
7.669774
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6.460875
8.332759
5.425810
8.808359
6.451598
7.781838
8.372677
7.001541
7.081500
7.245567
5.488311
7.248375
8.563356
5.923872
8.467772
6.124805
6.992508
7.180136
6.669500
5.624668
5.508576
6.407041
6.835887
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6.668279
6.886425
7.962020
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7.403287
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6.023240
7.940291
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5.301050
6.734077
5.022477
6.043382
5.501373
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6.595401
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8.455809
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8.621830
7.163778
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7.265831
6.432188
5.021867
6.294122
8.539186
5.286035
6.210623
5.230491
# Label of molecule (60)
0.327806
# Number of Instances of molecule (61)
3
10.152600
8.712655
9.614323
10.320448
12.638768
8.991311
11.326678
9.039086
10.166322
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10.041632
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10.079468
12.408562
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11.656334
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11.651490
11.940832
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12.322339
10.769348
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10.935670
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10.751623
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8.635438
12.247399
6.390341
8.987188
10.924631
10.340617
8.474628
9.745525
10.435050
12.024826
6.054611
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9.445963
7.377377
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6.564678
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10.368702
10.121785
6.331622
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5.518189
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5.734870
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6.949141
5.883923
6.948042
7.967238
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8.694189
9.128773
6.864666
6.669958
8.004837
7.283013
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8.301477
8.422208
7.701849
6.863689
7.414975
5.485595
6.473052
6.140400
8.897931
8.700903
5.297113
7.812082
6.873699
8.719947
7.482604
8.969955
6.990890
9.047227
6.996017
7.738105
7.453551
8.641209
5.442869
6.342189
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7.792184
5.851451
5.886853
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6.137593
6.221824
5.217154
7.752510
9.123524
6.266503
7.354671
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6.172384
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5.832408
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6.400418
6.415799
8.411832
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6.883831
7.491760
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7.495300
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6.305445
5.721564
8.714698
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6.707434
8.547823
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5.508179
6.181417
8.795389
6.055925
8.763039
6.310083
6.131855
6.818522
7.015427
# Label of molecule (61)
0.367482
# Number of Instances of molecule (62)
4
10.464631
9.065400
9.563832
10.266801
12.284034
8.707694
11.009717
9.353258
10.271757
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10.004859
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10.486121
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8.315867
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12.394821
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10.143772
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6.051215
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5.596091
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10.814013
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10.901111
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6.323923
6.402783
6.404126
6.578082
6.785119
5.367229
8.549089
7.109958
5.466842
7.540513
8.218635
5.890316
8.439833
6.789514
7.390606
7.219947
6.313303
5.577441
8.263680
7.392926
7.839228
6.942961
7.324686
7.344218
8.787988
7.285623
5.127964
5.790094
6.473220
8.829859
5.159703
6.735313
8.301157
8.643818
5.163732
5.222694
8.716086
7.088351
6.303049
5.199866
6.921476
8.571062
7.532579
5.378094
7.748039
5.477706
6.557695
6.958342
6.046449
6.162053
6.753502
7.099460
8.977569
5.861873
7.420026
8.003906
8.575945
5.421552
8.749046
5.495041
6.962859
8.694235
8.875759
6.962249
6.581988
7.497787
8.392468
6.547563
7.833979
5.001617
7.697378
7.450545
6.482986
6.417554
8.554827
7.223731
5.214515
7.996521
7.773003
8.379833
8.710654
7.142735
5.703116
7.484909
8.802332
7.160314
6.957427
6.252693
6.748070
7.448653
7.558031
5.383526
6.176153
8.750084
7.580370
6.163945
6.871120
5.775140
5.474105
8.790613
6.309824
5.943480
7.159215
8.997894
8.409742
6.118290
8.268624
7.867244
8.862026
5.206885
5.916135
7.688894
8.425733
8.504837
6.361583
8.755089
7.559130
5.654897
8.949797
7.956359
5.759636
6.101444
8.698080
6.059572
6.992584
5.909055
5.906858
8.538530
6.578021
5.824824
5.169530
6.835231
8.915616
6.457778
8.154729
8.926847
7.419355
8.450026
6.536882
6.069704
8.039369
7.515427
7.452315
8.601154
7.742241
8.220527
5.850703
5.667959
5.330668
6.381970
8.122990
5.762688
7.971252
7.957457
5.374493
8.936857
6.808985
6.302255
8.725547
7.569994
9.044038
5.669057
9.006073
6.569353
7.842219
8.825037
5.226905
7.872127
5.458357
8.659993
8.198798
6.129276
6.944609
5.662954
7.673391
8.443312
7.819391
7.140416
5.384625
9.035371
5.073214
6.051393
6.362560
7.717704
6.885403
7.335734
6.895413
7.045564
6.425062
7.608203
7.515793
9.023530
7.115757
8.096011
5.384625
6.241585
8.733482
6.692770
6.449232
8.317087
5.717277
9.005097
7.749321
6.513565
7.065218
8.265816
6.246345
5.417707
5.191137
5.989990
8.552202
8.543657
7.117832
7.248085
5.929563
6.742210
7.380169
6.430555
8.943327
8.291086
8.015809
5.380596
6.132084
7.538377
9.014985
7.768609
5.081881
6.976348
6.607807
7.583544
8.269845
5.619984
6.761376
7.617115
6.058596
8.565386
7.263466
5.815058
7.213416
6.601703
7.767022
5.370098
5.316996
# Label of molecule (62)
0.358954
# Number of Instances of molecule (63)
5
10.712441
8.747023
9.757636
10.510262
12.631438
8.897922
11.276261
8.905998
10.101049
8.807765
7.983221
8.594167
9.600362
7.335080
12.200271
7.850617
9.859153
8.976431
10.696425
10.774858
11.065821
6.734849
9.090035
8.702075
8.598857
10.073492
9.428129
9.764539
8.821277
11.988038
11.575165
11.640652
9.864424
9.047798
11.533186
8.802801
10.117870
9.240417
6.776008
11.475827
7.999438
9.310584
12.003781
6.375571
9.194287
11.518057
9.123013
9.689447
11.734645
8.900938
10.538144
5.980603
8.059487
10.621236
7.836239
10.216397
6.928177
10.595032
5.793257
6.128957
7.631571
8.844721
8.441245
7.531966
6.800501
5.961695
9.242686
7.919245
8.343459
6.089716
9.563689
9.470323
9.223882
6.056013
6.815123
6.878202
7.834902
9.906685
5.150196
7.163647
8.792507
8.517069
7.673635
5.942424
8.342990
8.854917
11.013109
7.807169
9.172540
7.526583
7.512844
9.208149
8.378190
7.697177
11.302011
8.306821
8.451211
8.272418
7.124355
8.866947
6.742047
7.035663
7.779700
10.663707
10.916401
6.564166
8.034150
6.734111
8.633116
6.593149
7.129748
10.419358
6.530737
11.800829
6.233619
7.910092
8.742408
7.664783
10.429413
8.050555
6.089237
9.115193
7.220321
7.290815
7.381637
8.524960
8.097712
9.582790
8.777734
7.662730
7.798571
7.578824
8.751606
6.463398
8.058891
7.996926
9.715957
11.329065
7.272486
10.934110
7.429845
7.571682
6.678418
7.460754
5.660280
7.803587
8.597281
5.611393
8.566362
7.955988
8.957160
7.824625
6.121722
8.312156
7.671976
9.542764
7.491781
10.280414
8.740799
6.587316
9.028394
8.853781
9.821352
8.061801
9.510039
8.218975
4.988998
6.698279
6.161519
5.057237
7.393124
6.597934
8.498383
5.627201
7.819163
5.488281
6.139790
6.238548
5.536378
5.049791
7.331477
8.456145
8.599704
8.382900
8.378750
6.381497
8.389126
6.175436
6.153096
4.987289
8.425138
6.675451
5.308344
5.945936
5.829844
8.342250
5.582156
6.823283
5.813730
8.053545
8.560152
5.516236
7.559145
7.741401
5.274041
7.807566
5.878552
8.333094
8.012650
5.910657
7.020798
5.871960
7.717353
5.885022
6.999924
6.692663
8.339076
7.790719
6.824381
8.525971
7.531312
8.461516
4.997177
8.408414
7.053880
6.770302
5.666875
8.271813
6.262474
5.261589
6.800333
7.087329
6.059587
8.025834
6.754555
6.439238
8.681372
8.690405
5.622196
6.403104
8.694189
8.404630
7.724799
6.603916
8.579440
5.690191
5.630131
5.329096
6.276879
6.034928
8.067949
7.571108
8.065996
5.102405
8.118244
6.873821
6.156392
5.435301
6.049333
7.860546
6.365505
8.525117
7.178518
6.314478
5.256706
6.123676
5.130970
5.690680
6.113666
8.673315
6.873333
6.931806
5.124622
6.726844
5.893689
6.463408
5.154653
7.237846
7.907422
7.244438
8.476287
8.589938
7.458800
5.747322
5.838145
8.245445
7.799020
7.742866
5.243889
6.885418
6.409818
7.763863
5.816172
6.917158
6.552522
5.124500
8.123249
5.223258
5.214713
7.369808
6.339625
6.028703
5.830088
6.027604
5.619755
5.759529
6.147603
7.543031
6.055559
7.769112
5.623295
8.265587
8.596408
6.806070
6.710730
8.366420
8.304041
5.100208
6.425199
5.561281
6.319239
7.939894
8.556001
7.511902
5.914319
8.616672
4.902081
7.782296
8.005570
6.612461
7.907178
8.225425
7.440367
9.048326
6.244285
6.633702
7.856151
7.185232
5.643925
6.774453
7.319636
5.468993
8.045854
8.283532
6.287011
7.988968
8.668798
9.126453
7.132008
8.124470
7.134816
5.667364
9.044908
5.884411
5.708991
8.051469
6.956099
7.801584
5.999893
7.828806
8.858989
8.255943
5.496216
7.696600
7.903272
9.103504
5.314692
5.232414
7.640324
8.483734
6.533113
8.496673
8.789285
7.683416
6.484893
7.373959
7.902905
6.927900
8.389737
6.534944
8.306360
6.979293
7.694769
7.888623
5.685064
7.412778
8.501434
8.401822
8.695288
6.448271
5.454100
5.161611
8.972884
5.211661
8.464690
5.554323
8.916730
5.300775
5.646001
6.437162
5.619877
6.530915
5.834849
8.176107
7.323786
5.734993
8.072344
7.427305
8.771340
7.494079
7.422544
6.535188
5.833384
7.671331
8.501312
7.422056
7.784005
8.626926
8.090533
7.845653
7.598209
6.986618
6.214499
7.898389
8.649388
8.841166
7.050829
8.624729
8.178793
5.248772
9.053697
6.629429
7.914991
6.919355
5.661382
6.553865
8.215171
6.951094
7.967116
7.294366
8.106403
6.498932
6.723060
7.837352
7.598819
8.246300
9.057482
8.587374
6.648961
8.556856
7.276421
6.061541
5.144642
5.181143
7.127491
8.827128
6.290063
7.393246
8.898541
8.554903
7.762886
5.430906
8.727882
6.066179
7.020554
6.116962
5.500122
6.246483
9.130482
7.533876
8.703711
5.700568
7.496887
7.629215
8.622532
7.026170
5.863414
7.625187
8.241173
7.578677
7.962722
9.107898
6.233665
8.603488
7.189138
5.671392
6.414701
8.610935
6.671300
7.992019
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6.867351
6.116962
7.205618
5.234123
8.879376
5.806772
7.466613
7.843944
8.293054
7.923536
4.978988
6.639195
5.178823
8.559297
6.294092
4.995468
5.336299
8.037797
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7.515442
6.792886
6.244652
6.632603
7.693548
5.704718
5.405637
7.520447
8.676977
8.369106
7.559877
6.692053
5.797128
8.538667
6.245628
6.808145
5.251457
4.918317
5.771004
5.147938
7.307794
7.715522
7.445738
8.140461
8.407193
5.119129
8.149617
6.511261
6.540803
6.585604
6.610263
6.924238
8.274499
5.802011
6.769326
5.987442
5.797250
8.205771
5.606693
6.503693
6.368191
5.933241
6.803140
5.836558
6.536409
5.073229
7.612491
8.269494
5.509400
8.100055
8.320154
7.231864
6.046403
8.361049
7.662297
5.267571
5.247063
7.494568
5.581668
5.619877
7.617374
8.651585
8.694189
7.309626
6.780190
8.398160
7.839793
5.579348
8.212607
8.171468
7.097095
5.581301
7.379208
8.166219
5.632084
7.180715
7.640568
8.525605
7.757881
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8.308557
8.712012
6.580599
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7.226859
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8.607150
6.586337
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5.986099
5.954970
6.667150
5.048326
6.215110
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7.130909
6.462188
6.293603
5.741585
5.598636
4.916364
5.986099
5.691900
6.565218
7.747139
5.057726
7.754097
8.746925
7.889477
6.018693
5.596805
6.914716
6.979537
6.391018
5.004868
5.689459
6.197287
6.873821
7.170705
6.671422
6.726966
7.782662
5.791757
8.282556
7.710028
8.136921
8.847514
7.692450
7.564394
7.770211
5.930799
8.207968
8.547090
6.840373
8.009476
5.496216
6.433012
7.111377
8.491913
8.020341
5.186758
5.385250
8.472625
5.059923
6.500641
7.455992
7.032640
5.693487
6.075823
4.963118
7.469787
7.381771
8.196738
8.531709
6.602451
8.342006
6.000015
5.813120
5.553591
8.610569
6.492584
5.260491
8.250084
4.832133
7.356746
7.557314
7.874950
6.363552
5.211417
6.257225
7.890332
7.392026
5.795663
5.992325
6.013810
6.577670
6.205832
6.642369
7.936598
8.593966
8.063677
6.840739
8.658910
7.941481
6.487945
6.190085
5.317377
5.410276
5.746712
7.565126
7.380917
5.566408
6.463897
6.875286
8.086016
5.635136
7.254936
7.664495
6.992477
8.159749
5.668462
7.920484
7.529237
7.806467
5.306146
8.471404
7.407529
8.695288
5.999039
6.342433
5.777230
6.627232
7.911084
6.448759
4.999863
8.586154
6.450224
6.999435
6.913129
7.888256
4.856792
7.986892
5.463744
7.356136
5.348140
6.137837
7.581729
4.889630
5.692022
5.699957
8.172079
5.811899
6.084979
8.439299
7.099048
8.362392
5.210807
8.223472
6.036760
6.714515
6.353175
5.566652
5.062365
5.890637
8.437590
7.510193
4.867290
4.951521
6.879437
8.212729
6.458892
6.833537
7.110523
7.628483
6.230857
7.209281
7.660222
7.644963
6.275170
4.746803
7.667058
7.057543
5.811167
5.143422
7.694769
6.753945
5.606815
5.305048
6.727454
6.485626
7.267876
6.052507
8.220420
8.599582
7.267632
7.723334
6.079485
6.105976
7.596133
5.048692
7.446593
6.457793
6.899091
7.678777
7.163137
8.414396
5.986099
6.730140
6.789468
7.368221
7.579775
5.733283
5.053941
6.505524
8.182211
8.352626
8.605930
5.180044
5.934217
5.254753
5.948622
5.870251
6.341823
8.501312
5.427854
7.099780
5.743416
7.838939
8.148640
7.692206
6.396146
5.263176
8.697607
5.737556
7.053026
6.231590
6.544832
# Label of molecule (63)
0.249963
# Number of Instances of molecule (64)
3
10.734523
8.698246
9.550109
10.548765
12.037100
8.747576
11.506035
9.300459
10.208461
8.934614
8.554155
10.146837
9.550793
9.874819
12.232364
10.317452
11.238971
10.819402
11.747474
11.361533
12.116596
7.503182
8.359916
8.703805
7.558780
12.010695
10.138312
7.286889
10.475281
9.254589
12.408713
12.120145
11.787618
10.299795
9.952201
10.841488
7.808006
9.426689
8.785922
11.927392
10.056050
7.645503
10.918482
6.396095
6.911871
12.277615
8.767207
8.005985
11.315703
10.824281
9.641662
8.000151
9.591841
8.689921
8.356922
10.562037
6.586932
9.635248
9.619385
6.815676
8.117558
11.928808
9.779687
8.068033
7.161870
7.645533
7.511237
5.821943
7.324889
8.647160
9.711792
9.459550
8.746595
7.533605
7.897088
8.242481
8.946421
9.992085
6.281958
8.325557
7.491780
7.254870
7.790241
7.179533
8.663044
8.343104
8.878925
5.352880
8.320677
6.292208
7.512844
9.831482
9.410020
8.018759
9.532299
9.899667
9.956466
8.510875
8.719373
9.387312
6.769617
5.684952
5.715578
11.109362
9.693953
5.664928
6.796451
7.421645
9.612400
6.849548
7.660401
9.269424
6.912292
9.607131
8.601990
6.318275
8.311836
10.967550
8.239352
8.521486
8.283236
7.306444
8.222014
9.638922
5.633424
11.542570
8.029376
9.389967
5.655262
8.167460
8.033485
5.355816
6.925935
5.621732
6.301853
10.760127
9.459190
8.418528
7.821664
7.986024
7.738709
7.185706
8.641765
6.774791
6.587427
7.394002
5.901621
6.656553
9.813249
8.024054
7.635367
7.858430
7.509118
10.573727
9.449314
7.721662
7.105993
9.120897
7.485474
7.550390
7.326098
6.341902
9.838104
6.228170
7.041461
7.260223
8.304529
5.572024
8.326868
6.654332
9.099963
5.872082
5.828623
8.702612
7.970168
5.667241
6.745766
8.283166
5.807871
7.379330
9.282708
6.447050
7.963942
9.141835
8.679296
6.464507
9.274285
8.977279
7.780709
8.186117
8.641209
6.435331
6.848552
7.801462
8.045366
7.067186
6.490997
7.372738
8.860942
9.110218
7.583560
8.515351
8.351283
5.759041
6.057756
6.602206
9.219718
6.397977
6.432279
7.867870
9.089099
6.168111
7.960524
5.783578
6.786294
7.246879
7.270806
7.083422
8.307703
9.212149
7.373714
7.811716
5.336299
7.868236
8.911847
5.770516
9.192495
7.907544
5.525880
5.739265
9.085925
8.783059
7.214652
7.844066
5.549318
9.166982
5.559450
7.448668
7.926588
5.369625
8.694189
8.946516
6.789346
9.095935
7.889477
5.823374
6.159688
7.910230
7.630680
5.370602
6.412381
5.789682
9.063219
6.420682
6.730628
7.137257
6.678747
8.481048
5.992691
5.630253
8.120075
8.642674
6.962935
9.281243
8.977035
8.635594
6.662145
7.083056
8.450163
8.408780
5.793100
8.616672
5.756966
8.608005
8.095416
5.993545
7.154225
6.327296
6.505036
5.509644
7.453429
6.509064
6.993820
6.384915
7.902905
5.367306
6.963668
5.964370
6.312525
8.209433
7.070116
8.754372
9.295648
6.031022
5.350337
6.670080
6.502228
9.260247
8.532319
7.869701
8.720923
7.024461
5.396481
5.547975
5.721198
6.316065
9.068957
8.067217
5.714972
7.430967
9.118152
5.798105
8.308191
6.056291
8.332240
8.047441
8.821390
6.381375
9.050279
5.446043
5.851207
7.606998
7.923658
7.172903
5.950209
8.227622
7.981765
8.390225
9.297601
6.463042
6.877606
9.264397
5.599490
8.358852
7.973464
7.320612
8.056963
7.308771
4.817362
5.055895
7.580630
5.314447
7.050218
5.355586
6.993576
8.613132
6.033219
6.978072
8.290857
5.464965
6.618686
7.111011
6.338282
7.565615
8.267174
5.341426
6.876141
8.667699
6.155416
6.774941
7.701727
5.789926
6.153462
8.676977
7.907788
6.386502
5.542482
5.013535
8.049516
6.852580
5.349727
5.266228
6.116840
5.739753
6.177145
5.892956
8.186483
5.059557
5.395505
6.815226
6.628208
7.045946
7.581484
7.301080
4.741188
7.754097
6.072039
5.624271
8.695288
6.871258
7.511048
4.869366
5.650639
7.112110
5.261834
5.261467
4.934187
6.576205
5.564699
5.394772
5.143788
5.440428
8.307947
4.733497
8.058550
6.362941
6.294214
5.761971
6.227073
5.973037
4.872784
8.158040
5.112903
4.821512
5.813364
5.364498
6.667516
5.167837
5.298334
7.935133
7.208426
7.977248
5.906873
8.027299
8.478118
6.504181
8.465300
5.419797
6.756020
7.837107
7.640812
5.428220
6.901654
7.778634
5.151723
5.093616
6.201437
6.436918
8.470794
6.020157
6.895672
5.902966
4.893658
6.236106
6.259789
5.388546
6.852458
5.452635
7.116016
7.200613
6.343532
8.097125
5.648930
4.926008
6.350124
6.493805
7.401669
7.203299
7.129810
8.568941
8.325282
8.453215
7.246269
8.452727
7.759468
7.948073
5.216300
8.357143
6.216697
8.589694
5.651006
6.100116
6.847575
4.774270
7.762154
8.653905
5.458251
6.718665
8.112018
6.091693
7.960768
6.620762
7.480041
6.308618
8.125446
6.033219
5.722297
4.889142
8.514374
5.821665
6.496735
6.500397
5.469115
6.083758
7.731758
8.181967
5.028428
5.404660
# Label of molecule (64)
0.387056
# Number of Instances of molecule (65)
5
10.445019
8.982936
9.396163
10.728444
12.162746
9.107751
11.178478
9.159874
10.465713
8.726574
6.476162
9.316637
9.121394
10.055775
10.756466
8.603668
10.025159
11.361757
10.692907
11.959148
9.085761
8.503097
9.145700
8.299756
9.277655
9.454297
7.685157
8.642301
11.021828
11.182871
11.993289
10.499054
10.837756
8.680727
9.707130
10.413818
9.342051
7.149402
7.904024
9.447462
7.522533
7.783063
10.864053
6.263765
7.396838
9.456072
9.442787
9.365283
10.193332
9.007148
10.046934
6.357437
8.875093
11.099119
6.324752
8.961745
5.516774
8.453231
5.983995
5.172691
9.493212
10.184223
9.665647
6.222067
6.868156
7.146118
7.673083
6.039062
7.876141
6.162376
8.658997
8.139995
8.511898
8.743051
5.284677
6.840005
9.271277
9.264884
8.066179
8.385754
7.866279
5.842348
8.579450
8.471942
6.361878
8.526954
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7.129536
7.270808
8.274717
7.278918
8.230089
7.835596
7.704183
8.374201
11.542759
7.329505
7.697272
7.223027
10.718101
5.604134
6.736773
6.589088
10.974097
10.465007
6.615173
5.920306
8.437262
10.259994
6.032411
10.128700
8.506619
5.587194
10.918406
8.355810
9.054434
8.013748
10.719047
9.318276
11.671711
8.295567
9.254296
6.080151
9.390731
8.252285
8.850734
10.405766
9.069549
7.126069
9.520648
9.690029
5.531334
9.646937
5.267670
7.557969
8.421682
9.139776
10.255308
6.732752
10.913933
8.142758
8.864768
9.290549
8.784889
7.771275
6.760979
6.691656
7.819131
10.436463
7.212024
9.521615
7.701279
5.792798
8.714522
7.506261
7.177866
9.774944
7.256278
11.034361
7.972239
8.332541
8.769524
9.191179
7.570883
10.074982
8.414690
7.006027
8.298181
6.845012
9.166738
9.185904
8.343837
5.587405
8.676244
7.534242
5.718757
8.360683
9.224845
5.998795
7.825877
8.746071
8.590060
7.955397
5.626957
9.205679
5.598392
8.587497
6.354396
8.770974
7.471740
7.977615
7.712958
5.379879
5.854381
6.285180
7.449644
9.238639
6.395291
8.384243
8.166341
5.579714
6.758217
7.337458
7.248344
7.195853
7.938551
6.081317
7.785958
7.120289
5.758065
6.697668
8.363369
7.831736
7.416562
6.644444
7.588809
5.357173
7.970290
7.324885
9.243278
8.648900
7.617252
6.365261
7.919507
8.608493
8.662328
6.980514
9.030869
9.136097
9.034776
7.799020
7.059496
6.576449
7.238212
6.524812
7.923780
5.939711
7.603824
8.810404
7.336848
8.269738
8.722877
7.714301
7.033006
5.535890
7.935011
9.121570
8.735450
5.424436
8.745705
8.498138
7.742256
6.401883
8.048173
6.358058
6.003800
5.427366
6.025651
7.815378
6.567782
6.688757
7.607608
5.596683
9.265862
5.736579
6.355617
7.891675
5.517701
5.392209
7.655461
6.411405
8.128376
5.803842
6.086444
6.036027
5.950819
9.025742
5.847301
7.420591
7.292169
8.496551
7.111255
7.938185
5.936537
7.790963
7.185354
8.333949
5.660405
7.019333
7.350154
6.464629
9.114490
9.251091
6.253563
5.499390
6.948286
9.336421
6.734657
5.956313
9.052599
5.501587
8.952132
8.950179
5.792245
8.092975
8.691870
8.025224
9.108264
5.842906
5.730720
8.950911
5.359859
8.037065
9.128529
6.850993
5.786264
6.951582
8.324671
8.045610
6.458403
6.941816
8.915998
5.978042
7.599185
8.552583
5.987442
6.603549
8.145100
6.027238
5.874279
8.612644
5.425657
5.827570
7.796381
5.842830
6.217597
5.380047
6.332102
7.865596
8.998321
8.457656
8.874905
7.845820
7.694693
7.778680
7.087008
6.355419
7.597766
8.582049
7.803095
9.088412
5.839045
6.741417
6.786706
8.658589
8.659810
7.341655
8.730003
6.796594
8.109256
9.089877
7.370708
5.319864
7.048921
5.937681
5.600635
8.252083
7.334819
7.291116
5.442061
7.463973
6.055483
8.178106
7.765984
6.214911
6.699789
6.755333
7.627064
8.966582
6.128971
8.524308
9.092196
7.844966
8.228156
6.632771
5.434004
6.126774
9.113193
5.638844
8.569597
9.123814
8.767113
6.109684
5.612964
6.839442
5.980285
5.431684
6.422803
6.776574
7.472030
8.206427
8.015259
9.265908
8.065188
5.607349
7.719718
7.694205
8.791284
9.073275
6.952361
6.006409
5.799982
5.711234
5.480514
7.854976
8.949370
8.787744
8.055788
5.772759
6.948454
6.677572
7.287698
8.746117
5.932310
7.651967
8.636128
8.558855
6.339915
7.875118
5.394818
7.286477
8.972198
7.988525
5.542650
6.313181
7.104587
5.654592
6.336619
7.247536
7.530259
5.438032
6.522660
9.111118
5.406659
5.395917
8.037843
8.176031
7.782830
5.756157
9.080477
8.825831
6.680013
7.054537
8.422376
7.815058
8.604389
7.109714
6.837367
8.301279
5.361492
8.208136
5.523362
6.026795
9.053011
7.874508
7.390728
8.023072
8.125858
8.604144
9.092441
6.213691
7.353740
7.931150
5.673025
6.290963
8.620136
8.206305
7.708243
6.240669
7.383892
7.462874
8.812037
8.890530
5.697684
6.741295
7.386822
6.856899
8.657125
7.251930
8.489395
8.265023
9.153356
8.746361
5.690481
5.617725
7.807001
6.476638
8.800439
5.961074
5.183584
8.152791
7.419004
5.854381
5.459593
5.777963
7.832224
5.991104
7.157277
5.702765
9.129261
9.053697
5.275140
7.792428
6.112323
8.931013
7.315119
8.619236
8.685644
8.068072
7.585635
6.869549
8.544771
7.026292
8.498993
6.900555
8.048540
7.628727
6.734291
8.819437
8.143880
9.067614
8.143757
7.461241
6.220603
6.346828
5.275018
8.640965
8.771584
6.436308
5.386837
9.052721
5.731330
7.511170
6.831462
8.193808
7.371151
8.652684
7.678167
6.685949
6.621616
7.384457
8.456389
7.370785
7.701971
8.421110
8.888409
5.553102
7.927808
9.000473
8.491302
8.768777
5.573489
8.178671
6.919355
8.449187
8.665990
5.460570
5.925306
7.861278
5.580081
8.140950
8.812845
8.694189
8.317103
8.731422
7.255547
8.670385
5.334956
7.849193
7.360286
8.554903
6.810465
7.940870
8.845195
8.937971
7.204642
5.217277
5.211783
7.166555
8.008744
5.175283
6.783486
6.798502
5.543825
9.078722
6.486114
5.955458
6.691687
8.776711
6.245628
8.949934
5.428953
5.232658
7.879223
7.559755
7.041429
8.139119
6.351344
8.326380
8.893414
7.992386
5.274285
8.252037
8.626072
6.005631
8.524506
7.269585
8.661229
5.230461
7.851024
7.861156
7.884106
8.265709
8.352504
6.200705
5.381588
8.926862
7.694525
5.193838
7.109424
7.251152
6.945845
5.792611
8.363979
7.214774
8.905499
6.957076
6.934858
6.533967
5.797372
6.641514
7.811228
5.928846
8.208579
6.178976
6.317408
7.222587
9.141713
6.438627
6.554842
7.650945
7.062792
6.131855
6.021744
7.758858
5.814096
6.642369
7.289239
8.257164
7.270318
5.753426
7.605533
5.215079
6.610874
6.681921
5.802622
6.285669
7.619572
5.807871
8.864605
7.187185
8.444914
5.597293
6.542879
8.829081
8.725562
6.327052
5.936293
6.610385
7.961013
6.761025
8.696020
6.565950
7.481506
6.234031
5.376827
7.882519
6.060686
6.695837
5.530763
5.314814
8.458464
8.091632
5.417478
7.875195
7.767769
8.453215
5.206534
8.169393
8.441740
6.076800
5.547365
6.758950
6.875164
7.160451
7.381649
5.919568
8.415616
8.278771
4.871929
5.174306
5.679205
5.067370
7.323542
4.974349
5.046983
8.494842
7.972854
6.903974
6.214255
8.093341
7.518006
8.783303
5.670904
7.527650
6.267113
7.044481
4.986312
7.873608
8.778298
8.757790
6.773721
7.982376
6.866741
5.678228
7.208670
5.306879
8.854839
8.694189
7.978469
6.563143
4.937849
7.045579
8.534883
7.602359
8.544282
6.694494
5.528077
7.870190
7.560244
8.216025
8.294031
6.825480
5.299066
6.589145
5.271355
7.696356
5.086291
5.260857
6.224754
7.945753
6.337184
6.858318
7.145924
5.824351
6.001358
4.924665
6.710120
6.383450
5.250359
7.053758
5.163076
8.323939
7.281793
5.797250
6.511261
7.056444
6.114887
7.721259
6.892621
7.347591
8.255333
4.985336
6.002091
4.926618
7.100024
7.821726
8.446501
6.428617
7.960402
6.284936
7.903882
7.047899
7.577578
7.653752
4.963363
7.277764
6.004776
5.852550
7.519227
8.111774
6.731605
5.275018
8.593844
6.079363
6.925825
7.377743
6.466826
7.494812
5.667364
6.424711
5.983169
7.289239
8.049272
6.754189
5.915662
7.806101
5.020981
7.944533
7.257500
6.930830
6.848918
6.252586
7.319391
6.932783
6.068743
6.701575
6.506623
5.392209
7.805857
# Label of molecule (65)
0.219891
# Number of Instances of molecule (66)
3
10.386686
9.095667
9.721322
10.733744
12.031808
9.063531
11.078437
8.979623
10.087245
8.652524
8.617514
10.133058
9.428355
9.732559
12.415958
10.335921
11.539913
10.727699
11.274570
11.817203
11.697034
9.037504
10.988654
9.306813
9.667791
12.399956
10.793555
10.007028
10.141528
9.326122
11.694922
12.050310
12.302374
10.364186
10.054503
9.782398
8.182324
7.211154
7.055177
9.125186
7.486505
9.532906
10.916405
9.052398
8.439482
12.397431
9.988198
9.155915
11.895889
10.451358
11.432622
8.573866
9.173715
11.424479
9.555413
11.095426
6.237016
12.095627
7.397227
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10.631560
7.103899
8.113244
9.655716
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7.419515
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10.351975
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9.035684
11.203765
7.344414
10.946710
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11.436250
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10.421072
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8.293054
8.767556
6.056902
6.410062
6.983932
6.305200
7.314997
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4.789163
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7.369198
5.579958
5.974868
5.783822
6.514557
8.373623
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8.023637
8.613620
4.837504
7.555605
6.425687
8.018754
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5.667852
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6.894818
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7.313898
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7.962722
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8.683203
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5.590823
6.548372
5.624271
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8.314539
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5.052843
8.348231
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6.212424
6.017594
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6.907758
7.725166
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8.182089
6.542268
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4.984603
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7.809030
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6.199973
5.373043
8.630100
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6.359523
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4.899274
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6.043107
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7.932203
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5.648076
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7.671453
6.719520
7.253227
8.475921
8.366909
7.420469
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5.151357
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6.994064
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6.869793
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4.896832
5.543580
5.719489
6.449126
4.827128
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6.298120
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8.331126
6.336558
6.348766
8.948576
7.656178
7.559984
7.190100
5.460311
6.966826
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7.466231
6.970000
7.550462
8.838221
5.930296
7.647023
6.238655
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6.114261
5.430158
7.152379
5.825556
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7.842341
5.572863
5.899411
6.095584
6.969390
8.440260
6.386608
7.161534
7.146641
7.274575
7.156041
7.296182
8.228828
5.964354
8.897671
6.690939
7.822687
7.298013
7.224158
7.269448
7.854793
8.110782
6.048830
7.972106
8.849940
6.925443
8.609455
7.720634
5.296121
5.959838
6.516739
8.936857
5.470565
7.376019
5.201636
8.491409
5.100803
5.646718
6.135014
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6.237556
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5.043794
6.712912
8.219794
8.567461
6.082034
7.560106
7.463912
5.518784
5.444929
7.768975
5.000214
7.478561
5.767937
5.751579
5.708853
6.741600
6.851466
8.895474
8.442091
6.206915
5.116794
6.575823
7.710990
5.510849
7.493454
8.005554
6.490371
6.935942
8.608600
8.294504
8.014954
7.466109
6.159062
8.096011
8.442091
5.366436
7.335978
6.213385
6.258675
7.661794
5.179418
6.543596
6.303720
6.887722
5.738884
6.730003
6.283090
5.490463
8.912076
5.902829
7.652394
8.250435
7.838923
6.879543
6.740867
5.103610
5.725700
6.201910
7.993835
8.737632
6.973296
7.382733
7.205847
5.333964
5.484970
6.740135
6.622578
6.836818
7.029695
7.191809
5.783074
7.117100
8.534379
5.384869
5.981201
6.412366
# Label of molecule (66)
0.405568
# Number of Instances of molecule (67)
4
10.547710
9.084572
9.497491
10.622275
12.118204
9.076128
11.536928
8.972374
10.114430
8.506055
8.482868
10.205361
9.286924
9.997838
12.172122
10.868640
11.300595
10.752858
11.673575
11.349676
11.488391
8.917583
11.055639
7.640604
7.981374
9.556510
9.324686
8.081415
8.307918
10.925226
10.620241
10.677734
11.980054
10.827238
11.274901
10.404669
8.933195
9.435721
6.605307
8.819202
8.712872
7.631995
12.497248
8.026218
9.421682
10.417317
11.122343
7.424418
10.939433
8.906924
9.979443
7.783989
7.789351
8.982674
8.372331
9.669868
6.823664
9.451396
8.438884
8.277468
7.960816
9.910199
8.207054
8.432900
6.667045
8.099294
8.297211
6.042717
7.421875
8.781045
9.657184
7.170696
8.424988
9.197910
6.876048
6.971089
9.713413
7.849629
7.269957
8.766969
10.193767
6.100215
7.931536
5.506331
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6.826223
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5.701798
8.090691
6.810291
8.756413
8.977930
8.093974
7.566729
11.186037
8.846689
10.616435
7.679259
9.996397
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5.888420
8.445833
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7.815005
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6.146806
7.215598
7.588552
10.137207
6.750427
9.679384
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8.303650
10.548488
8.537817
6.651526
8.674676
8.117838
7.947898
8.076050
8.155781
6.968430
7.742640
9.441171
8.321553
8.714488
9.347276
7.067294
7.833375
9.136011
9.242061
6.702456
9.370879
7.804695
7.233267
9.487545
9.202755
10.483886
8.042608
7.843275
10.696402
7.819817
8.160991
7.404891
5.149526
7.528702
8.515867
7.668041
9.630773
8.373555
8.294791
8.745711
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11.786268
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10.372674
7.607579
7.346567
6.186028
6.667709
7.345070
8.580153
10.087822
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5.324870
6.648762
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7.019013
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5.559008
8.243294
8.541154
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7.180639
5.835994
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4.997223
5.566210
7.956053
6.876675
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7.986572
6.071841
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7.787469
7.379864
8.142949
6.939299
5.030671
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7.765984
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8.221931
5.451949
6.281564
5.101596
5.781915
6.327097
5.217200
8.602313
8.486953
7.082125
8.441176
5.438520
7.366802
8.269051
7.401715
8.767113
7.629872
6.650960
8.828883
6.337107
4.983673
7.525864
6.269845
5.232704
8.730857
7.355205
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6.605914
6.012146
5.571581
6.542680
8.278329
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6.442091
5.590625
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5.434736
5.860042
5.009308
6.830531
6.821253
7.943236
7.992065
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6.758995
6.309519
7.323832
7.323710
7.681387
6.909391
6.270333
8.335337
8.439222
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6.301462
8.058718
7.083956
5.144688
5.026765
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7.798212
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5.716361
5.062410
8.350963
6.441359
5.782403
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6.449538
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5.597705
5.447432
5.367718
7.313334
5.024079
5.922422
5.219031
7.457503
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8.270882
8.256111
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5.752129
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8.566912
6.643025
6.435499
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6.545122
6.356883
6.527055
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6.509110
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6.040345
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6.097552
5.485961
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5.394772
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7.341044
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5.934996
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6.660970
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7.480087
6.572466
6.014588
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8.053468
7.664052
5.256264
8.143559
7.756951
5.571703
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5.823664
5.182897
5.472945
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7.814447
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8.581927
8.767113
6.518754
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8.402356
8.708151
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5.203772
8.376354
6.543168
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6.852626
8.733421
9.081820
8.531022
6.389477
8.258797
7.005463
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6.517533
7.055513
6.097598
6.647176
5.339030
5.569872
7.553331
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7.305155
8.129154
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8.776635
8.234382
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5.198401
6.050478
6.956389
6.348338
8.786035
6.383618
5.469527
7.143773
6.389966
6.231147
8.435926
6.014588
7.793817
8.769189
6.813684
6.060732
7.445296
5.845393
5.732109
6.896817
8.030030
7.766106
6.483352
7.998413
6.350169
8.293466
6.505325
5.194739
8.382458
6.228706
7.233985
8.686666
6.390820
6.957244
5.695975
8.961333
8.969146
5.328654
7.719352
6.981780
8.887967
5.247963
6.635334
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7.622059
5.352824
5.349773
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5.431440
6.152165
5.653615
7.408307
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7.999512
6.653035
6.982147
5.614429
7.278909
8.190191
5.256508
6.434523
8.175420
9.132481
6.579180
8.268197
5.406903
8.402600
8.252815
8.189581
7.292581
6.627155
6.410840
8.195685
# Label of molecule (67)
0.317390
# Number of Instances of molecule (68)
4
10.219079
8.841070
9.702456
10.726444
12.500001
9.202761
11.107906
9.338919
10.234186
8.795526
8.401146
9.676114
9.314937
9.899889
12.867700
10.270356
11.319523
11.030071
11.570394
11.837014
11.904186
8.880166
11.068656
9.764231
9.633300
10.344517
10.631360
8.257696
9.836207
9.528453
11.775156
12.207412
11.242275
10.654149
11.647050
9.978278
9.111558
7.214012
8.236637
9.717918
10.243228
9.655720
10.591690
8.651973
8.802325
12.067883
10.746108
8.743079
9.675857
11.711326
9.846309
7.399489
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8.689612
8.241571
10.377175
6.830769
10.724126
5.794371
7.376061
6.910569
9.542968
6.705540
5.468794
8.130930
7.755698
9.755751
7.713881
7.936413
9.138524
10.248768
6.811549
7.481688
8.563977
6.671542
6.945239
9.164318
7.655363
5.680633
9.152853
8.249530
8.109177
8.483452
7.936387
6.117309
7.112536
11.458927
6.333650
8.304074
6.392817
7.284864
8.217786
8.122336
5.717856
11.051320
8.918970
7.583322
6.402251
10.280305
9.997543
7.517782
7.229752
5.948093
7.957345
7.839852
7.148842
8.087143
8.381559
9.761648
6.011093
8.007283
8.607313
6.335569
11.320471
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10.153229
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6.229084
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5.650765
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6.736595
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7.584277
6.666280
6.083254
6.794458
5.337748
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6.687765
7.846248
5.184790
5.459578
8.790613
5.897336
7.024812
8.702841
6.163213
7.441939
5.632801
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8.174749
8.173406
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7.476974
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6.235237
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6.722312
5.981445
6.532609
6.871975
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7.250526
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6.737693
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6.572298
6.310572
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5.600589
7.002121
8.439543
6.205222
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6.259301
7.278008
5.445067
8.586642
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8.131428
5.993423
8.553682
7.176931
6.736488
7.827586
8.286950
6.612461
8.459685
6.116474
8.508393
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8.810038
7.490051
7.121265
8.756447
5.994400
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6.749794
6.025407
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5.621097
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7.184988
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6.845988
5.668706
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7.182791
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5.822764
5.628300
9.019761
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6.838786
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5.896496
6.189108
5.632450
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7.088183
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5.183340
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8.103107
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5.196280
8.535981
7.915479
6.220603
6.091205
7.627506
5.634892
5.547365
5.706427
# Label of molecule (68)
0.390839
# Number of Instances of molecule (69)
3
10.581626
9.015192
9.839135
10.700115
12.576248
9.021174
11.153564
9.433972
10.171544
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12.283591
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10.344246
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10.875476
11.504134
6.885325
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9.579581
5.763882
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8.165042
7.279659
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10.026720
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11.843914
7.973417
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5.716315
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7.234794
7.327570
5.638066
6.382717
7.998245
6.897015
7.379330
8.024613
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7.758370
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8.922956
5.690680
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8.417814
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9.208243
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7.759590
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7.871044
5.826792
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6.227973
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6.350291
4.858791
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8.270760
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7.490341
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8.755150
8.257454
6.571245
7.208228
5.307779
7.080172
5.280068
8.493423
7.948607
8.793359
8.528459
6.813684
6.894498
5.745048
7.531968
6.252022
6.679647
8.413099
5.649464
8.172246
5.078646
5.298868
7.083346
6.842982
6.428175
8.251228
5.416059
7.180273
5.721854
8.094729
7.357891
8.480850
5.854793
7.437727
5.080477
8.023072
8.389904
7.535752
8.511246
8.411023
8.223518
8.082888
6.963347
6.533769
8.524918
8.809961
7.477645
8.019166
6.322947
7.760857
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5.052767
5.117588
5.124302
7.517197
5.440352
4.888577
7.495102
6.285714
6.787194
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5.439497
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7.668813
8.524918
7.241798
8.377453
5.670217
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5.703543
7.265603
6.166570
7.126194
4.874538
7.084933
7.720695
7.882931
7.586901
8.044923
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6.799768
6.669271
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8.716453
5.631886
6.316721
6.286935
5.287515
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6.618244
6.719443
6.885342
5.262001
6.574053
4.890896
7.165380
4.910794
8.702536
8.610736
# Label of molecule (69)
0.381317
# Number of Instances of molecule (70)
5
10.738423
9.256740
9.366919
10.250005
12.441320
8.872937
8.886095
8.120558
7.927392
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11.465985
10.722514
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10.506202
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6.736359
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10.882076
6.649651
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7.264633
5.442096
6.405372
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7.791530
6.626666
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8.416182
11.038964
9.260990
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7.577733
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8.523778
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11.800055
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5.885617
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7.777520
5.767083
5.621082
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7.000153
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# Label of molecule (70)
0.095401
# Number of Instances of molecule (71)
5
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6.403455
8.590655
6.093875
5.635243
7.852474
5.067110
5.305643
8.936857
5.358257
7.020051
8.551469
8.596637
7.051790
6.150029
6.658589
5.531358
6.830958
7.408124
8.542924
7.527268
7.266518
7.973083
7.062899
7.681936
5.125217
5.503647
7.680105
8.558916
7.384564
6.037965
6.797998
5.427107
7.615040
7.916807
8.656453
7.961486
6.605243
8.105655
7.654836
5.779534
7.102939
7.289712
8.981170
5.189550
6.549577
8.117985
6.419568
6.523209
5.680532
6.969634
6.213752
5.430280
8.869350
5.620228
7.858821
7.509568
6.087161
7.180212
6.698630
7.649220
8.356395
6.682394
5.202979
7.454878
6.569475
8.693075
5.798822
6.137455
5.551866
6.321055
8.131779
6.237312
7.240761
6.000488
7.631275
5.559069
6.856349
8.421949
6.257454
8.693319
7.940733
5.986694
8.300241
5.497299
8.138249
7.160680
8.110172
5.914426
5.593982
8.099918
6.632466
6.501724
5.843501
5.925779
7.621754
6.362453
6.749550
5.973769
7.944166
6.078509
6.448881
6.917035
5.882580
7.189138
6.448759
5.859020
6.692419
7.520447
6.103168
8.492279
8.690893
8.089801
8.467864
9.226066
6.262352
6.146870
6.966964
6.191427
8.694189
6.487213
7.865917
6.958174
6.504181
5.414548
7.423032
6.336207
7.135426
7.727485
8.596164
7.639836
7.893017
7.102222
8.178426
8.785379
7.998978
6.251854
7.239921
8.602756
7.637638
7.231620
7.747749
6.730506
7.870434
8.268883
8.241661
8.473357
7.290216
5.490600
5.438597
7.994217
9.295770
7.925855
6.642857
9.219108
7.855541
8.154378
7.835154
5.825816
5.640751
8.981063
6.316431
7.695746
8.400113
8.507050
6.782632
7.199271
5.450560
7.975295
5.701544
8.694189
8.162435
8.764138
8.872417
6.608921
8.308924
6.904218
7.037400
7.487121
8.161092
7.494324
8.425260
9.367672
8.197104
7.389950
9.097766
5.876110
8.305261
8.540986
7.976638
8.402432
8.353969
6.352565
7.425596
5.738411
8.003494
7.444273
6.260765
6.552278
7.635319
9.182852
6.067278
8.073809
6.273339
7.363094
5.694708
8.364834
6.372585
8.413175
8.807230
5.551515
9.350337
8.496796
7.363338
9.392575
7.733100
7.890332
5.901257
8.557222
5.797861
7.007248
5.502930
6.990524
6.578646
8.446745
8.312830
8.739479
9.116321
7.440367
5.486694
8.613132
5.825327
7.072436
5.445311
8.057085
7.852489
8.648534
9.307733
5.610233
8.302942
5.587405
6.378079
9.325800
7.208670
7.211966
8.564425
8.525117
8.113971
8.812723
8.599704
8.265221
6.152608
6.360622
8.944563
7.890332
5.493408
8.242882
6.242943
7.045335
6.026505
6.396756
6.209494
# Label of molecule (71)
0.144905
# Number of Instances of molecule (72)
5
10.711360
8.697094
9.669049
10.358951
12.675720
8.680060
11.487507
7.927724
10.687092
6.641479
8.489499
7.716496
6.936111
7.735737
9.916028
9.569752
10.805204
8.696477
9.445537
8.815190
10.957078
7.313121
7.915907
7.684198
7.589857
10.692573
6.883503
6.744776
7.036699
9.758701
8.481359
9.353092
10.809406
8.257042
8.234315
10.015144
7.498566
7.170554
8.040869
8.802822
6.780665
9.622166
11.605759
5.857830
5.461612
8.448866
10.676696
7.835658
10.274669
8.860735
11.125386
6.784960
8.551722
7.871314
7.095440
9.060229
6.973224
9.408108
7.144228
5.502557
9.529451
7.772617
6.721566
7.443827
9.760520
7.190978
9.036350
6.289569
8.438111
8.087189
9.110397
6.783939
7.683692
7.072245
7.152436
6.066231
7.695049
10.385468
5.726001
9.290165
7.976141
8.139380
6.444016
8.692453
7.544366
6.831165
10.656977
4.974306
8.089242
7.334389
7.732971
8.751242
11.172400
7.102759
11.015357
10.728296
10.613206
8.677072
9.963208
8.541428
7.837639
8.563847
5.397424
9.006327
10.526239
5.885601
6.329774
6.367017
9.781842
5.481398
7.910722
10.642631
6.606365
9.814495
6.535245
7.417177
7.496076
8.201850
7.802766
8.166739
6.961635
8.749631
5.454952
6.605229
6.921066
11.661664
9.392537
8.929085
7.024856
8.029442
7.808403
7.372206
8.622277
5.670126
8.599137
8.799845
10.315630
10.192260
9.209625
8.953722
9.728101
8.005737
6.409728
7.252694
6.256694
8.335146
8.904551
5.568800
9.848430
8.543550
8.334230
7.146728
5.332285
10.720548
8.787324
9.982117
9.011560
9.799910
9.953306
7.203356
5.821020
7.192687
8.457457
7.881010
6.916764
9.097711
7.794015
5.635502
7.886303
6.289941
6.583529
6.964278
7.740181
7.655828
8.993637
5.087390
6.114399
5.184561
5.350215
7.463073
7.328547
8.459319
8.389981
6.545320
7.212577
7.620914
5.770882
7.758248
5.536744
6.401273
5.888684
7.680975
7.432554
7.304621
7.872265
7.818918
7.681219
5.311396
8.633641
7.335383
5.744392
8.482147
5.848277
8.119709
5.412839
5.833018
5.739998
7.565981
6.945845
8.862041
6.544954
8.437712
5.578494
7.095630
6.530549
5.193472
8.271691
8.037187
7.444517
8.148762
6.578280
5.885998
6.268212
8.848491
5.502808
5.406613
6.149678
8.025101
6.226463
5.320795
7.391537
5.518433
6.576327
7.597842
5.368160
5.531251
5.109973
5.018296
8.248497
8.595065
8.694189
5.387448
5.396970
7.622257
5.448241
8.769997
7.331355
7.420103
6.932783
8.124592
8.107257
5.039048
5.452269
5.712043
7.010666
6.333399
6.352687
7.651433
8.427702
8.106647
5.184194
4.998642
8.769997
5.218863
5.607547
7.726020
5.329707
8.029984
7.916578
7.972488
7.939650
5.552248
8.053667
6.943892
8.311731
7.691473
8.991806
5.836680
7.931837
5.946791
8.359340
7.159474
7.383114
5.947645
8.181356
6.827921
5.974502
7.201224
6.614170
7.408750
6.548982
7.425962
5.545534
8.886944
6.346095
6.846110
5.938734
7.330622
8.794534
5.821787
8.792459
5.830821
5.109363
7.190725
5.593631
8.088580
8.569185
8.695288
8.137532
7.025437
6.346583
8.870342
5.588992
6.793374
7.770943
7.768014
6.662755
6.556673
5.893078
5.892346
6.793863
8.424039
7.231376
6.720374
6.176534
5.902356
6.572054
6.183981
6.545320
7.250298
5.698981
6.487823
9.018906
5.728401
5.848521
5.844249
6.414579
8.148396
8.779153
5.530641
5.555422
7.752388
7.625187
7.142384
6.735023
8.858867
6.759072
6.686560
6.464751
8.312342
7.363704
8.907208
8.157674
8.192099
7.908643
5.427122
8.864971
6.481719
6.368068
6.789102
8.944929
7.074145
6.056902
8.769021
5.533692
8.488250
8.957625
7.338679
8.698584
8.670629
6.415555
6.651891
5.142933
5.259392
7.075854
6.428129
8.344203
8.683569
7.937819
5.110828
7.993118
7.471374
8.400601
5.173330
5.615482
7.148488
5.177725
8.948347
5.246941
6.093646
7.952589
7.355892
6.038469
5.731819
5.650395
5.905164
5.665044
6.437895
7.205252
6.344264
5.416013
6.526765
6.690344
8.333583
5.838878
7.703558
8.694189
5.516846
7.812693
8.350673
7.811228
8.368007
7.926466
8.025101
6.126240
8.182821
7.037767
8.541963
6.565462
6.597812
8.885479
7.018967
5.989151
9.004501
7.631413
6.256981
5.903211
6.238792
5.208609
5.830699
8.660741
6.918867
5.347530
7.266778
9.032334
8.805155
5.157704
8.681127
9.018174
7.559999
7.139210
6.253929
5.776986
7.280816
8.498016
5.913831
8.547700
7.180593
6.642247
6.609653
6.437651
8.792581
5.732185
6.541780
6.953780
6.073626
7.160207
5.730476
7.150197
6.780557
8.835429
8.294397
5.268426
7.494812
8.148274
5.815195
6.745155
6.671056
5.489257
5.163808
8.460906
6.083880
7.198050
6.161763
7.107471
9.047960
8.816507
8.453093
7.546571
5.786752
5.521607
8.963973
9.035752
6.324610
6.614536
5.321284
5.196646
7.277520
8.936384
6.608554
7.601138
8.916242
6.091205
6.831828
8.847758
8.879986
8.348476
6.472076
5.840464
5.240959
7.052904
8.732276
7.480651
4.960067
6.692663
4.984725
8.607395
6.075579
6.622227
5.738777
7.386288
8.334559
8.218223
6.103412
6.977096
7.134083
6.686193
7.447081
7.888867
8.464568
7.083544
6.148946
7.139576
5.563356
6.835368
5.999161
7.095752
6.654576
6.615513
6.621738
6.866253
5.149281
5.472411
6.296655
7.125904
5.682867
6.069964
7.554872
5.244377
5.362056
5.921644
7.922193
7.594058
7.598941
8.491546
8.186239
7.912061
7.904370
6.037736
8.561617
6.594272
5.019761
8.072710
5.129627
7.791330
8.757302
7.315729
4.925275
5.185537
5.927503
5.013047
8.048051
5.323481
7.727851
7.500061
7.170949
7.375668
7.965896
7.879589
8.823954
8.203574
7.495422
8.694189
6.824381
7.604923
6.236717
7.464415
8.232139
6.614048
6.158956
4.969466
6.202170
5.731574
6.597690
6.145650
8.111530
7.959792
7.283746
5.475585
5.333369
5.515748
8.458342
6.746376
5.036607
7.101978
7.448180
5.048692
6.381375
8.603732
5.077624
4.893536
5.489868
8.092975
5.290765
6.321314
7.565371
8.011917
5.360347
4.877789
6.533357
5.410154
8.056963
5.332026
6.582797
5.112415
5.154164
7.012619
5.980117
8.691015
7.645817
8.634495
5.531129
6.116596
8.046709
6.494049
6.067156
6.966353
6.157247
5.906507
5.329340
6.058977
7.661809
7.759713
6.626377
8.396084
6.938887
6.060320
5.640385
8.282800
7.457091
6.348048
7.756783
7.502747
7.132496
4.850932
6.292383
7.423399
6.020646
6.258568
5.996353
7.905713
7.721259
7.986526
6.201071
7.893139
7.867504
8.809915
7.994095
8.556246
5.076525
5.736702
7.791452
5.865612
7.736885
6.184530
8.718177
7.756111
7.632694
7.473388
9.102588
8.079730
5.657659
5.681707
9.007981
5.840037
9.007859
6.938948
8.616123
6.056475
8.509308
9.113086
9.476379
7.314325
7.113880
7.339106
9.183645
8.835734
8.760170
9.099536
9.516175
8.790445
8.631870
5.735908
7.409665
7.726081
9.191580
9.265557
8.142842
8.988937
8.361110
9.375179
6.107379
6.012406
8.226829
7.473388
8.541169
8.348537
6.641697
6.669286
7.595096
8.315088
8.103046
6.557588
8.112445
8.135884
8.276025
5.683050
8.493561
9.448912
8.543367
8.559359
6.020951
9.054491
6.950789
8.117573
8.022355
6.783059
5.928419
8.460234
8.241356
9.354060
7.158925
6.794046
5.797311
8.100726
5.968947
7.417722
6.104450
6.440031
7.621097
6.639256
9.127247
6.957381
5.876537
9.498596
8.345973
5.983596
6.208213
9.168874
5.810129
9.541322
6.036332
5.913526
6.651341
6.529878
6.362758
8.472564
6.431486
9.032029
7.178823
6.752419
6.704077
7.608036
9.021165
6.697851
8.159566
7.460692
9.051561
8.216941
8.732215
9.340388
6.034745
9.035325
8.043229
9.068529
6.590670
7.356563
5.554506
7.552004
7.093005
6.201498
5.808542
9.166555
7.593753
8.302149
6.128620
8.380154
8.144185
8.424955
8.155904
6.495209
7.890759
8.000259
8.596835
6.382900
9.317927
6.929426
6.556368
7.083483
8.016129
9.448302
6.833232
6.149861
6.346644
6.918806
8.549226
7.608280
7.381100
6.427580
6.491180
7.410276
7.488159
8.061419
6.538301
6.253502
7.944960
7.739265
6.549532
5.642888
7.946425
8.473907
8.089007
9.070360
7.387448
8.937300
6.359584
8.185568
5.794382
8.206442
7.725227
# Label of molecule (72)
0.124220
# Number of Instances of molecule (73)
4
10.674588
9.215883
9.579844
8.770856
10.380433
6.511609
11.480153
9.271983
7.784368
7.331426
8.333812
7.689869
8.360051
7.834814
12.341194
6.867960
7.385902
7.134482
8.888289
8.749893
10.333238
6.041848
6.941685
7.737206
7.328781
9.831236
9.054203
8.962535
8.312887
8.329073
11.618126
9.175463
9.088596
7.188564
10.171619
8.228405
8.990607
7.880453
6.947788
11.049203
7.900814
7.896169
8.556916
8.118384
5.662996
11.467457
10.623200
8.933683
9.230514
10.603265
9.293139
5.076070
6.210771
10.048412
8.490340
6.984734
5.963805
11.087502
8.608852
6.778231
7.338927
11.615128
8.658521
5.846953
7.358841
5.875945
8.640002
7.386128
9.124549
7.788234
9.862495
8.313084
9.035817
6.836610
6.873076
7.650818
9.356845
10.568227
7.280638
9.392085
7.712771
8.083925
7.473986
5.681301
8.060981
8.198889
7.729385
7.298759
10.192435
8.245572
7.098733
7.998275
9.453043
8.651759
10.239387
8.568461
8.472314
9.090419
9.295486
9.625870
7.494839
7.844048
7.068376
9.642321
7.975361
6.058204
7.633594
8.622568
10.829483
5.562247
7.060372
9.536354
8.440658
8.300483
7.209910
7.266623
8.742637
10.906750
8.369270
10.586954
8.153915
7.963095
6.740470
8.651856
7.588454
8.411340
8.012988
7.620903
8.397418
7.035902
9.854388
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6.787730
8.034523
11.724015
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10.877405
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10.244181
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6.489419
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5.563344
11.781551
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8.428190
7.783639
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8.265831
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6.592349
6.368831
4.817148
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6.017991
5.273095
8.361446
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7.567232
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6.112110
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8.626347
6.145558
7.618259
7.260338
5.769936
8.336665
6.490173
6.120899
4.865123
7.848613
5.770180
6.651189
4.844981
8.608768
7.287561
8.160268
6.352596
7.915998
7.060015
5.191794
8.415891
6.297174
4.950697
6.252007
7.052446
7.701147
4.939833
5.810953
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7.952620
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6.971511
8.337031
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7.620457
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6.569155
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8.515137
6.607852
5.152852
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6.301813
7.531465
4.969619
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6.515198
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4.957533
6.418882
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7.530854
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4.935926
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5.985031
8.334346
4.893200
5.068133
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6.174001
4.793832
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6.198294
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6.629337
5.125263
8.600711
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7.377895
7.376797
5.570833
8.654057
7.395474
8.046129
7.916486
8.701544
6.352596
5.518708
# Label of molecule (73)
0.125335
# Number of Instances of molecule (74)
4
10.175648
8.897087
9.490585
10.356679
12.663389
8.538729
9.158415
7.741358
9.796789
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5.822671
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11.580092
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7.741120
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6.660884
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8.447378
6.373448
8.319902
10.176278
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7.988179
9.267892
7.229794
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6.329367
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10.418409
6.175899
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10.990674
8.515762
6.342767
7.246070
10.930980
6.689514
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7.871704
11.366453
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6.710100
10.941979
5.827873
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8.009531
7.165117
11.674292
8.362859
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6.984176
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6.303369
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6.319163
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6.757775
8.276254
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6.882290
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7.144139
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6.306833
5.861507
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8.107669
8.852687
8.650777
5.372478
5.508469
7.447371
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7.303079
5.015656
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5.549242
6.763024
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7.830195
6.135441
6.778283
6.692099
8.371715
7.813837
7.929441
5.123203
8.973052
7.107150
6.408155
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6.168279
6.816736
6.335276
8.313852
7.775628
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7.672353
5.974059
7.921628
8.116092
6.593585
6.005432
6.531449
7.366680
5.328410
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5.063387
6.690634
8.158330
5.304239
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8.637226
6.332713
8.441908
5.352702
8.910184
5.149937
8.384411
7.486923
7.577380
6.235298
6.190863
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7.846553
7.774163
5.702200
8.613422
5.527390
5.163244
8.844142
8.718894
7.517808
7.218116
6.389111
7.855098
5.687674
6.808069
5.556810
8.241707
6.537187
6.797937
5.823542
5.530198
7.002411
8.168706
8.318125
8.217292
8.785180
# Label of molecule (74)
0.100059
# Number of Instances of molecule (75)
3
10.685552
9.039476
9.819142
10.464440
10.472814
7.719744
10.436835
7.501644
10.239396
8.371626
7.220035
7.315274
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8.591318
10.837401
7.247318
8.343785
8.372193
10.995300
8.351876
9.510823
5.706908
9.591944
7.231006
7.269232
10.998375
9.589895
7.578174
7.948985
10.794388
10.038404
9.804251
11.295453
8.519900
7.958573
9.493934
6.342791
7.531955
8.327032
9.795322
9.511034
8.673813
10.810335
5.324178
8.387847
8.416007
7.844757
8.831933
8.329064
8.003232
9.589718
5.331128
7.150372
7.927839
7.584556
8.883309
5.738292
10.788084
7.459154
7.474283
6.279903
8.254245
7.294574
7.742509
9.635016
7.268392
9.719050
6.061288
6.338471
9.390287
7.634215
8.855674
7.489169
8.104991
4.948850
6.857174
9.921849
9.453058
6.746988
8.476465
7.808239
7.034832
9.181967
6.340172
6.254389
7.907131
8.732059
5.416640
10.269877
7.421929
10.048673
7.217514
8.455944
7.560019
8.015151
10.841257
7.590817
8.099623
8.270974
9.944065
6.849919
6.611652
6.523640
9.999175
10.210812
7.521656
8.237878
7.969421
9.732170
6.366221
8.210519
9.335079
7.543663
11.861102
5.972164
8.010706
9.671628
8.689194
10.807161
11.662970
8.169044
8.161274
6.468479
7.124615
7.847741
8.928103
7.468638
8.484151
7.609380
8.016684
8.056503
5.134634
9.349978
7.060588
8.176964
11.600008
10.227394
8.685811
9.411786
7.705513
9.945780
8.414618
8.920862
7.177564
5.201055
9.755857
9.085256
6.790759
9.766304
9.456376
7.722448
9.761992
5.136177
9.143737
7.909222
8.201765
8.580333
8.896743
7.886642
6.333097
8.723549
7.663764
10.317508
7.460037
7.857429
8.697413
8.021683
5.669683
6.058367
6.264550
8.600803
7.361263
7.640934
8.280114
5.865368
7.339290
8.167684
8.580782
5.901868
9.139149
6.939619
7.461364
8.490570
5.513306
6.980758
7.725288
7.560488
5.232902
8.519745
7.466613
6.541780
7.815989
6.808145
5.466796
8.993393
7.063280
5.649297
7.085864
6.876263
6.272485
8.012894
8.518891
6.853435
6.006973
7.110157
7.296075
8.985458
7.294855
7.306696
8.899152
6.201071
7.132008
6.243675
5.370357
6.916425
9.165639
7.547548
7.788766
9.176504
6.431425
7.498596
8.488006
8.695288
7.022019
9.036485
6.892010
9.171010
7.558168
6.476959
6.842936
5.247063
5.341060
6.313868
7.295465
6.499420
6.058855
7.482116
6.254051
8.819437
5.923109
6.457060
7.827342
5.572146
9.109119
6.564486
8.274010
8.902936
7.376888
8.876690
6.916791
5.566164
6.746620
8.069048
5.798349
5.654057
8.103473
6.613559
7.953932
8.597751
6.606967
6.682165
6.176046
8.816874
8.780862
9.136464
8.147908
5.393429
8.156697
6.978439
5.817148
6.143941
6.348048
6.637364
6.887738
6.463530
8.428678
8.467376
8.303919
5.320063
7.490173
7.830027
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6.771889
7.255669
8.140339
5.998672
5.382199
5.621708
7.245659
7.112354
7.909375
8.005570
8.517792
9.154530
5.642705
5.371944
6.030168
6.505036
5.764901
5.814829
7.195730
6.523469
8.110553
6.568758
6.241356
5.478027
7.698187
7.323908
7.892651
5.466918
5.412961
7.723090
6.645299
6.206931
7.210257
5.910535
8.996689
7.564272
6.218528
9.013291
8.013627
8.702612
8.116657
8.424772
5.611820
7.722724
6.157735
6.769814
7.919996
7.670476
6.218406
5.423215
7.996094
7.210059
8.788354
8.621601
8.225471
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7.906980
7.395978
8.552873
8.919340
8.685568
8.727317
5.424360
5.289346
7.047945
8.596820
8.627949
6.340648
7.124485
6.685141
6.356151
5.161412
6.717978
5.450728
6.920133
7.255470
6.856532
6.573809
5.484054
5.997253
8.806177
8.643941
6.200262
8.519181
7.919919
7.963744
8.116703
8.901761
7.698721
6.345897
5.232704
7.544908
7.436262
7.776360
5.079379
5.592578
6.826746
7.819819
8.197272
5.288369
8.907498
5.643483
8.887112
5.134800
8.712668
6.531327
7.610950
8.732566
5.012848
8.767113
7.414899
8.174932
6.516556
6.758263
8.750633
8.871120
5.905820
8.278085
7.071017
8.675069
5.084262
5.699515
7.573840
6.193426
5.010651
7.096042
5.468184
7.148167
7.493149
7.085055
6.141179
7.669179
6.319651
7.288308
5.595752
7.391583
7.099338
6.284738
5.538499
7.232154
5.189611
8.929838
7.491073
8.721580
5.084750
6.918180
8.298227
5.764702
6.639485
8.462172
5.411786
5.707816
5.504074
8.963652
6.321116
6.582842
5.146031
8.552751
6.507889
7.408307
7.831172
8.367931
6.298898
6.419385
5.941954
7.454573
6.993133
8.102542
5.006134
8.155156
8.635762
5.909482
7.811762
7.865841
5.817072
5.526780
6.982513
5.036531
7.869503
7.574328
7.389508
5.288125
7.837153
6.608478
5.773614
7.520127
6.594806
5.305704
8.954863
7.887570
8.490249
8.700095
6.000061
5.518967
6.884243
5.350505
7.730461
7.852412
7.964843
8.313730
8.936064
7.461898
7.209815
6.794885
6.678915
8.253548
6.872524
5.355510
6.056337
8.901883
8.865993
5.548631
6.799280
5.403729
7.420392
6.860317
# Label of molecule (75)
0.109059
# Number of Instances of molecule (76)
3
10.642873
8.981156
9.597165
10.376581
12.503579
8.876491
11.075875
6.973741
9.020713
9.035568
6.735781
8.124189
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10.757013
10.142592
10.408783
6.863614
9.440363
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9.649727
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8.667874
10.123993
9.318135
8.450774
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8.837820
7.636033
9.017434
6.792627
8.957282
7.622076
10.223715
9.178690
6.667179
11.337501
7.451534
6.392642
11.059856
8.962225
7.004076
10.398223
8.863946
11.327171
4.852802
8.659284
8.136056
6.010122
6.994045
7.642888
9.768012
7.041312
5.517683
7.264558
8.232858
8.478857
6.367601
7.004554
7.854648
8.355783
5.795272
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7.748868
6.147222
6.342328
8.275085
5.895314
6.987583
9.483799
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8.164581
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10.401960
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8.388182
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7.633275
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6.377857
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8.608486
10.067696
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7.352819
11.224419
11.322792
10.639280
6.272442
6.966649
8.012055
7.152157
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11.266063
8.403832
7.314235
6.394623
8.561586
9.262881
8.059150
9.466894
5.916045
8.518902
8.828740
10.003606
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6.795470
10.474439
8.339983
7.843753
6.319563
7.984725
5.322361
7.620842
5.881599
5.889303
8.339477
8.015560
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5.153086
8.333684
8.089893
9.457953
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10.456383
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6.074905
10.550352
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6.907453
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7.813608
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9.374447
6.346889
5.641911
6.982650
5.537660
8.890423
8.171285
9.071825
8.553743
9.183645
7.911023
8.575350
7.734016
9.137379
8.317286
8.527375
6.345058
7.054552
7.573611
8.151509
7.338984
6.448454
6.988998
8.486724
7.887585
8.571688
7.888073
7.662358
5.596988
6.030351
6.868633
6.196493
9.276910
8.860515
9.300470
8.692907
9.138722
8.438871
6.942610
6.310877
7.299554
6.606174
7.552370
6.384243
7.465087
7.375362
6.361049
5.563540
8.667638
6.601047
7.291986
8.856120
5.932569
8.984787
7.796762
6.940046
6.752419
7.791269
7.182119
6.127277
6.236656
8.651280
8.305200
7.348750
5.819773
8.823649
8.510285
8.539094
6.396695
9.295709
5.683172
6.793680
8.763833
7.092273
7.297723
6.675878
8.239891
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8.328883
7.045518
8.341090
7.286126
5.909009
8.788003
8.386013
7.166738
8.600742
7.814463
5.905591
7.435301
8.161641
7.712897
8.732093
5.590274
7.677007
8.420927
5.643010
6.457976
5.934523
9.297662
6.435759
6.479339
7.915418
6.968490
8.304834
9.207450
9.278741
6.319910
7.400754
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8.711951
9.015305
8.442656
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8.025163
5.910962
7.260613
6.700537
5.860668
5.745552
7.142933
7.756722
8.895795
6.476775
7.863048
8.397488
6.412931
5.642277
8.261132
9.360286
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8.119892
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8.383450
7.036851
7.658696
6.156087
6.891949
7.502197
8.561678
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7.876598
7.889660
8.924604
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6.116047
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8.745338
6.898480
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7.807199
9.248283
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7.713202
8.602634
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5.813242
8.975204
9.351192
7.610782
8.600070
6.514801
8.534883
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5.889172
7.086718
7.196585
8.037431
6.382595
5.890637
8.363735
5.978286
8.038652
6.107196
9.674688
8.180013
7.497497
6.504913
7.784005
7.975539
7.436216
7.382504
9.386105
6.146748
6.728431
6.223533
8.729957
6.323511
8.283410
8.435514
9.501343
6.407132
9.440550
8.550874
6.947920
8.392422
5.792734
7.263359
8.120197
6.962813
9.315058
7.675970
6.105853
7.233818
7.672430
8.134236
6.130879
8.020341
9.583254
7.020188
7.402524
9.002060
7.110767
8.883892
6.569735
6.162496
7.761422
7.283502
6.676428
5.876476
7.260430
9.713385
9.480468
6.020768
7.884472
7.991531
7.015915
6.483306
9.222526
7.484680
6.272851
9.446532
8.241295
6.542512
6.867962
7.817454
7.531434
7.518983
9.583621
6.183248
8.607883
6.754189
7.648137
8.664037
9.139271
8.892315
6.634434
6.038713
8.983016
8.910504
8.849467
8.520844
7.899609
7.233207
8.091998
8.556246
7.821604
9.308588
6.651769
8.019974
6.552400
7.019211
8.426969
6.186666
7.769723
9.305658
8.031816
6.849284
6.208274
7.373959
5.773690
8.961043
8.898541
5.865856
8.371426
7.175344
7.332942
9.363887
9.289911
6.661168
9.439207
7.607242
8.568209
6.564119
6.231101
8.795145
6.014786
8.492889
6.016373
8.348476
# Label of molecule (76)
0.122771
# Number of Instances of molecule (77)
4
10.657022
9.047518
9.482551
10.292081
12.652798
9.083480
11.597908
7.035420
8.810592
8.662057
7.996096
8.798618
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6.326694
10.560345
9.469949
7.351885
8.336025
7.675840
7.946591
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7.389401
9.557312
6.261195
7.698434
11.596709
7.376121
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7.999509
9.285278
8.111566
10.446976
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7.443460
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8.708075
8.634689
6.982224
6.310027
8.382720
7.751009
7.159853
10.266896
7.340376
7.059933
11.548035
7.402081
9.413926
10.455674
10.183860
10.023357
5.701517
7.986665
7.637070
8.618210
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7.653848
9.702575
6.938093
5.812723
7.813187
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8.894658
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9.223316
8.010269
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5.982757
8.035521
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7.867185
7.466150
6.117367
7.211685
5.060019
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8.266610
10.444244
5.205206
7.416164
7.270674
8.566979
7.754127
8.688116
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6.923241
9.539348
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8.753283
9.355533
9.772931
8.636448
7.923340
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10.641244
9.136550
9.256198
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10.286441
8.419031
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5.787820
7.727029
10.828961
8.145395
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7.239757
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6.324274
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9.986304
7.488820
8.072784
7.428715
8.377566
7.648271
8.356207
11.305556
7.966178
7.874342
9.356842
5.775234
8.363144
6.294488
9.141109
7.046022
10.051483
6.112255
8.167144
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5.591657
7.506695
7.026529
8.439856
11.659122
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11.720375
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10.870795
10.760963
6.474834
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6.740240
6.904544
9.576622
8.833862
6.516782
9.888801
8.892711
7.034523
7.192516
7.592625
9.312811
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9.849592
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9.526018
10.530707
5.455152
8.751262
6.375064
8.247999
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6.679442
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6.185110
5.848674
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6.673650
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7.711646
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6.504334
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8.282342
8.885510
7.001053
6.361385
8.626347
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7.280725
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8.929945
7.484100
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9.000626
6.415586
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8.147694
8.858287
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8.222648
7.307459
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6.332942
7.796854
8.593509
7.838847
5.849284
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5.985519
6.243217
8.575930
8.847667
7.769875
9.410428
6.096240
9.767983
5.924116
6.918531
7.909162
9.509308
9.274438
8.185537
8.738899
6.760323
6.801828
8.088610
9.431059
8.148671
9.471831
7.639988
6.809519
5.896039
8.962416
8.591922
5.869793
6.092700
9.665563
6.846385
9.682165
7.461150
8.337153
7.544160
8.381588
8.488891
9.770180
6.709052
6.618717
6.803415
8.866710
6.321711
6.846141
8.663335
7.482879
7.698218
7.816263
8.442381
8.422849
6.047166
7.664403
7.980819
6.955397
7.084185
6.953810
7.678198
6.230277
8.572878
9.055315
7.204184
8.966201
7.672460
9.239280
7.701025
7.788797
8.965102
5.852214
9.353664
6.591494
6.036912
8.955947
8.200919
7.294763
7.489471
7.800394
6.065844
6.378475
8.255364
8.510010
9.476348
7.563326
9.094378
7.353481
7.453825
7.015702
9.143208
6.976882
8.044298
8.448988
6.944304
6.984588
6.466262
5.626759
7.227882
6.251656
5.639821
7.391095
8.223762
8.317148
9.262123
5.557909
5.851741
6.213324
6.774010
6.018860
6.467727
8.637837
8.444105
5.613697
9.222449
7.322001
5.801080
7.588733
6.287301
7.922971
8.122440
7.016205
8.823634
6.814295
5.850764
7.549791
8.566546
6.149846
5.817072
8.891140
6.904019
5.576342
9.142125
6.341136
5.321207
6.969329
8.692526
5.814753
9.087436
6.566729
8.967681
7.688467
6.059755
6.877407
5.290567
6.861293
8.480728
6.737022
9.178381
6.400708
7.640858
5.887265
8.767113
8.149297
5.284585
6.454543
7.167455
5.667531
7.633900
7.700919
7.624256
6.888272
5.902402
8.424207
8.355235
7.855708
9.178381
5.381268
7.945921
8.926420
5.549120
6.109928
8.172857
6.805872
5.342570
8.524064
7.132054
5.796442
6.361400
5.656911
5.547411
5.630177
6.983734
7.929197
7.133030
9.263710
7.006561
5.313395
7.885983
8.008179
6.106632
5.773614
7.183447
7.371441
7.792230
8.352672
7.559679
6.984344
6.723716
7.282449
8.037233
5.989441
7.275124
5.494186
5.888607
7.264992
7.213843
5.900571
7.701773
7.859737
6.371410
6.826868
8.625996
9.014435
6.182318
5.965636
8.672140
9.143468
7.965087
7.229713
8.942534
9.152745
7.819575
6.878750
8.665670
5.468429
8.017823
5.294107
5.910459
8.152226
6.760949
8.777245
6.855922
7.475814
6.178533
7.745964
6.488845
6.333934
8.446059
7.705679
5.607959
5.866268
7.892453
7.367046
7.006928
5.665578
8.977935
8.288583
7.711661
5.947813
6.010437
6.417188
6.148747
9.057283
6.482620
5.901914
9.116855
7.682363
5.898495
9.454787
8.264931
6.641102
7.462905
7.527970
6.343486
6.562487
9.518876
6.952757
7.982452
7.308237
8.630299
8.302896
6.477523
7.068361
8.453902
6.367290
9.282662
7.861110
7.749901
9.507279
7.164556
7.761010
6.487289
9.348827
5.976897
6.400128
6.753777
8.186926
8.924863
6.118381
7.344249
9.475051
7.197027
9.136662
8.905698
6.775628
6.840815
9.128361
8.510422
8.547655
5.753502
9.564776
8.534959
6.142552
8.666433
7.209113
6.717643
6.389508
5.995575
9.133122
8.271767
8.138585
8.435835
5.632527
6.927610
8.141392
7.170415
7.416761
7.780419
7.643086
7.573992
9.445387
6.816401
9.058657
6.282327
5.789270
7.994659
6.111545
7.504898
5.890469
8.758599
8.808283
8.452925
8.594287
6.851436
6.622181
5.761681
8.330363
7.312021
7.265755
8.779107
5.817469
6.525376
6.421979
7.595843
5.667074
8.202307
5.812098
5.693808
9.258858
8.163732
6.974731
9.086245
9.265938
6.806146
6.130467
5.824427
6.203589
6.119724
9.507523
7.748558
9.375805
6.137425
6.503037
8.352947
6.595202
5.687948
8.056795
8.645680
9.052187
6.329814
7.608295
8.874447
7.706565
8.338176
8.016877
5.995209
7.578387
5.622517
7.817042
6.757317
8.311930
8.449629
6.185034
8.280801
9.387768
8.843928
7.990387
8.002106
8.359050
9.545732
8.309854
6.860103
6.485214
7.396008
5.775842
7.601093
6.140599
8.028352
8.137120
8.074740
6.369610
6.738884
7.404309
7.397717
8.966979
8.412152
7.957183
8.859676
9.455275
9.375317
8.987243
9.445753
9.336863
6.058809
8.651784
7.852321
7.993561
9.334910
7.313242
8.868954
6.609973
9.411939
9.240547
8.002472
# Label of molecule (77)
0.128302
# Number of Instances of molecule (78)
3
10.675071
9.172479
9.832392
9.032588
11.780675
7.788653
10.986763
7.745523
9.337191
7.256072
8.356598
7.905214
7.007312
8.498105
10.282930
7.762931
9.925584
6.945965
9.396216
7.706973
10.486310
8.342663
8.608428
8.610713
8.571651
9.579230
9.818588
8.755457
9.751434
7.790724
10.382401
8.611868
10.917377
10.194276
9.136670
8.165549
8.219917
8.360443
8.278589
8.769302
6.106282
7.493024
10.963105
6.479644
6.495491
8.099736
9.552498
8.253374
7.437420
10.363572
10.102573
7.742445
8.519919
7.502349
8.702633
8.148461
5.890430
10.707193
7.591546
5.191552
7.189558
9.069823
7.063888
7.047964
8.868048
5.708514
8.584844
6.969967
8.252733
7.858399
8.030653
7.475354
6.544639
7.091649
7.344775
7.448838
9.045534
9.028877
6.579785
7.029242
10.412340
5.625578
8.715950
6.772322
8.749901
6.902970
8.477950
4.976623
8.059157
8.141540
8.233921
9.864745
7.997353
6.522550
10.105373
11.793502
10.042955
7.194909
9.563472
9.976384
8.083364
6.437683
7.781614
8.116904
10.801264
6.536753
6.450037
8.664999
7.805982
5.503698
7.923771
10.333291
6.830614
8.045631
6.212989
6.841761
9.227876
10.965429
8.644201
8.644227
9.130143
6.831318
7.411001
8.631279
6.984801
9.328326
7.075787
8.959113
6.426284
8.148587
10.748473
6.496213
6.675976
7.295924
7.820762
11.351631
9.295733
9.594038
8.951962
7.619702
8.359409
9.274783
6.893688
9.918617
7.459641
7.273124
6.410230
6.209422
7.906469
7.664473
7.536926
10.592066
7.306020
9.481401
9.282841
7.386755
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7.363636
8.195597
6.745412
8.757208
7.616075
7.532941
6.922992
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7.833796
7.483566
5.461165
7.571093
8.243965
7.771661
9.117038
5.818598
8.260445
6.297372
8.877529
5.801996
7.878719
8.817957
8.293527
8.560137
5.351665
8.776452
7.478195
8.733116
6.439100
5.747917
7.056185
5.224342
5.773919
8.660726
8.417188
9.072970
8.221870
6.163823
5.148412
5.911618
8.106754
8.520096
6.523453
8.387280
6.179327
7.395917
7.918638
7.915098
6.202643
5.925779
9.035859
5.145726
7.029450
5.424299
6.804346
8.517411
8.046815
9.122410
7.837092
8.268502
7.864071
5.300882
7.317179
7.287759
6.115726
6.199469
7.188513
8.173406
8.259346
9.071505
8.526688
5.879269
7.237342
7.764214
6.964019
5.322367
5.884518
5.196753
6.044801
5.325175
5.949705
7.112094
5.384747
8.269356
7.611621
7.475631
6.510514
8.835902
5.360820
5.899899
5.253517
5.205664
8.124577
7.465621
5.573962
6.096072
5.507920
5.316996
7.689016
9.008393
8.028626
8.405835
5.380840
7.061312
7.216834
6.757591
5.359966
7.785821
7.459883
8.638142
7.557054
5.254982
7.461348
5.991699
7.220252
8.925748
7.194617
6.529313
5.692251
6.565569
6.222419
8.838588
6.742210
8.641316
5.258522
6.893216
5.325663
7.542772
8.847865
8.336741
5.651967
7.018097
9.036470
8.912076
7.429121
7.194861
7.911435
7.417402
5.163671
8.561602
6.881008
7.558641
7.391766
8.285714
8.572588
7.075716
8.713095
8.242866
7.222816
8.518143
5.504990
8.131169
5.435286
8.042665
8.192694
7.046907
5.179418
8.610187
8.946501
6.896390
6.907865
5.956420
5.686026
9.018281
8.664876
5.710318
5.263894
5.392315
7.062288
8.035707
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7.808771
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6.172246
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6.872234
8.531709
6.346095
8.638157
5.372066
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4.954817
7.300714
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4.872173
4.896954
4.821512
7.793039
7.918165
7.975661
5.763558
7.908155
6.901776
6.799966
8.684057
6.160543
6.690344
7.772652
8.471038
5.931166
7.396908
7.351985
7.868480
5.389645
8.529023
5.641728
6.966597
7.127369
5.162709
6.535188
7.152394
8.031205
6.514924
7.288263
6.896039
7.276055
5.287225
6.398221
4.748634
8.307825
8.160848
8.662206
6.925825
8.695288
7.812815
8.289514
6.851848
5.722663
6.831950
4.944075
6.040300
7.601016
5.907971
5.592288
7.685369
6.169454
6.668615
7.028977
8.338832
4.966292
5.540407
7.959181
7.048265
6.540803
5.008042
5.509888
5.331782
4.881451
6.647252
5.045518
5.362300
6.838664
8.305872
6.163717
7.738960
8.412320
5.808115
5.745247
8.218711
5.782968
5.558229
4.934431
6.784707
6.960250
8.416471
4.923688
8.424772
7.921827
7.224052
6.417997
4.995834
7.121632
6.351588
5.653447
5.550905
6.239402
5.646001
5.846568
8.498871
7.047044
5.150380
4.947493
6.978072
8.267296
4.973251
6.573031
4.815165
8.300501
8.679907
6.994308
6.443754
5.692022
8.583224
5.054796
6.160054
7.218925
5.307733
7.892163
8.089434
7.466002
8.002518
7.339412
6.238060
5.771737
7.575747
7.883007
8.007035
8.415372
5.330073
5.047349
6.540437
5.920057
5.370113
7.087451
5.286248
5.350581
5.158437
6.857830
8.141926
7.475890
8.595065
8.739113
6.561312
8.675512
7.995560
5.492065
4.997543
5.461913
7.342830
5.918226
8.057451
5.496216
5.186636
# Label of molecule (78)
0.092811
# Number of Instances of molecule (79)
5
10.647583
8.824550
9.499745
10.633964
12.264821
7.853120
9.803828
7.503594
7.968380
8.655706
7.069770
8.748343
8.653139
8.554258
12.625994
8.096018
9.734812
7.024866
10.790658
10.039005
9.802384
7.954144
9.722836
5.853625
8.462767
9.149936
9.664658
7.894552
9.799206
9.641905
9.935697
9.609615
11.134381
8.197383
8.817685
6.660184
8.921202
8.703411
7.040864
8.387976
7.485280
8.297517
9.056758
8.180785
6.091646
11.276099
7.498235
8.822154
9.788642
10.828736
11.086381
5.298784
6.228800
9.379276
6.746765
9.475963
5.640490
11.362893
6.996135
6.150618
9.085023
10.681742
8.083333
6.807629
8.030701
8.165790
7.724294
8.703857
7.559715
8.026172
8.335488
6.448742
6.805574
8.403688
5.538498
5.686964
6.757137
7.918333
5.548874
6.676258
9.953775
8.510137
7.127738
7.350264
8.748693
8.262021
9.118799
6.140888
9.791185
8.653711
9.302129
8.226444
7.917556
8.069577
8.981833
10.102223
10.521067
8.449402
9.074146
8.780452
6.108213
7.832838
6.990010
11.119033
7.885518
5.768607
7.850163
8.800233
7.972175
7.082272
7.401925
10.555771
6.665599
11.364427
8.798875
7.228408
9.387407
9.462864
8.662981
11.056671
7.297476
7.101457
5.242035
6.890564
8.751196
8.958028
8.498366
7.431710
8.230016
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8.998357
8.055767
7.607273
6.245862
6.849528
9.239409
8.749884
9.678020
6.403564
8.698722
9.808317
8.700308
6.665674
9.783104
5.712754
8.502095
6.519021
7.490186
7.772206
7.561978
6.452399
8.040906
7.534057
9.711911
9.935511
7.393375
9.236239
10.239114
7.984049
7.293058
8.251719
8.279311
9.106968
8.067529
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6.241587
6.532060
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6.038026
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7.562120
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6.617878
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5.280068
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6.737144
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5.691214
7.387310
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8.898831
6.214179
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6.761681
6.579546
8.425306
6.317698
7.532334
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9.035188
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6.856532
6.571856
5.708670
6.438917
6.003967
8.439467
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5.392987
5.284585
8.805200
6.059023
8.710959
5.271401
5.268960
5.843562
7.375225
6.702353
7.405744
5.429853
5.971984
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5.778253
8.767113
8.825709
8.839991
5.786920
7.266945
5.905698
7.978271
5.728935
7.601794
8.883816
5.985534
8.445204
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5.712577
5.990295
5.926695
5.485641
8.104495
7.970336
6.257637
8.235603
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7.912351
6.268868
5.759575
7.379986
6.651570
7.278420
5.950865
7.865230
5.265664
5.291055
6.576250
8.361827
5.898251
9.036042
8.518448
5.244301
6.887783
5.213538
7.009491
7.382550
7.075045
8.329722
6.732627
8.407605
8.166509
6.489090
8.664449
6.878140
6.026307
8.526749
6.536088
6.719077
7.774041
7.848628
8.785913
8.309091
5.560717
8.359020
7.878780
6.591266
7.901730
7.849116
8.868435
6.582598
7.436140
8.220344
7.076876
8.656880
5.994324
7.920164
6.765343
5.975036
7.842891
5.962584
6.673177
6.440870
5.984680
8.910672
8.298471
5.552904
8.389294
6.193426
8.795801
6.531938
9.027497
9.135777
6.366771
6.095035
6.585284
7.072481
8.017335
6.254707
7.733879
7.924070
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7.932966
7.863506
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6.633854
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8.056627
8.762093
8.871105
6.409970
7.872539
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7.522187
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6.613346
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6.204764
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8.743049
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6.911084
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6.104297
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5.274926
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5.263085
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7.754463
9.018174
5.811167
7.446715
7.866771
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8.622044
6.348903
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5.087878
5.565432
8.306970
6.502594
5.454466
5.648564
5.985733
5.172964
5.353389
6.035783
7.226249
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6.489532
5.133412
6.657262
5.243400
6.128071
6.736610
8.209189
8.369716
5.512940
5.784066
7.699530
6.069231
6.088153
8.824931
6.910688
6.992965
8.400235
6.570589
9.034776
5.082385
6.553987
5.908216
7.360530
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5.099841
6.749916
5.077258
5.560183
7.224174
7.092090
6.072039
5.738044
5.119373
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6.592318
7.296808
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6.741615
8.508148
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6.770913
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7.546327
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8.362392
8.710059
7.189749
5.937880
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8.292810
5.976577
6.868450
6.151265
6.194113
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7.116504
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6.184469
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6.857952
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8.408902
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8.130207
5.255608
6.729041
7.928907
7.256767
8.104694
7.079638
7.177053
5.668584
8.126667
7.783761
8.861797
5.465087
6.425321
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6.129780
7.122242
5.580081
5.431516
8.881817
6.031632
6.600009
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5.754769
7.781198
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6.440092
8.053056
8.811380
5.172842
7.711371
9.013657
5.588992
8.715430
8.540132
6.070940
6.977584
9.043687
5.671270
8.874493
9.024033
8.695288
# Label of molecule (79)
0.123731
# Number of Instances of molecule (80)
4
10.337213
9.070703
9.384404
10.536746
12.431245
6.866000
9.915786
7.334066
8.024438
6.889942
6.626767
9.152498
7.392485
10.084915
12.755429
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9.353067
6.917810
8.344147
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10.022076
5.770491
8.065608
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7.042863
9.855743
11.282168
9.132827
8.198513
7.098851
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7.276060
7.208847
6.696401
6.203473
8.932344
8.981139
7.494292
9.527698
6.501303
8.069595
8.083427
8.091131
6.158240
10.981616
8.785157
10.950771
7.000096
7.915058
7.607948
7.607022
7.747735
5.539622
11.255924
6.384212
7.123409
7.172962
7.937262
10.096602
5.624036
7.235189
7.048062
9.182833
5.529455
6.845156
8.837386
10.315905
7.099996
6.499340
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9.645745
5.946607
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11.030861
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7.448853
6.751393
9.531518
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10.585428
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6.265678
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7.324523
10.765845
9.876131
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6.239588
8.352503
8.083105
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9.443660
8.019826
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10.946620
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10.374100
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10.862546
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10.430958
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9.304483
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5.724662
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6.359935
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6.697470
7.020234
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8.511246
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6.450270
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8.354503
5.527024
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8.495376
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6.018860
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6.474807
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8.472549
7.111423
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9.176916
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6.807337
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6.938078
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6.365307
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8.816431
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5.806696
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8.831446
5.637501
6.513504
9.306314
8.767113
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9.252846
5.810358
7.540147
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7.729362
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7.149022
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6.417310
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8.272591
5.549364
7.447615
8.379162
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7.708853
7.967284
5.980895
7.811762
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8.326060
6.019105
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6.978240
7.845454
5.970031
7.342021
5.853206
5.862972
6.468581
9.083773
9.295938
7.992309
7.692495
9.190710
5.627003
8.000366
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7.933470
8.341685
5.988952
8.272225
8.571429
9.396649
7.098972
9.270669
7.084201
7.242042
7.113254
6.309641
6.240181
7.469344
9.333659
8.694967
9.374798
7.950926
7.104953
6.057070
7.255226
6.347850
8.364635
9.370647
9.406781
5.859310
8.588397
7.402814
9.273721
9.089145
8.510636
7.467025
6.592242
7.904660
6.993500
7.355937
8.349010
7.163182
9.419233
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6.179998
5.979064
9.030427
6.226997
7.813593
8.239753
6.210761
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7.043550
6.353343
6.129460
7.144017
8.915677
7.294900
6.510819
7.323954
7.728263
8.496231
6.930387
8.122196
# Label of molecule (80)
0.103775
# Number of Instances of molecule (81)
5
10.366978
8.835837
9.440075
10.825700
12.497811
8.340799
11.402870
7.270969
8.084719
7.281648
8.177702
9.848062
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8.844552
12.642625
7.817434
8.758427
9.165543
8.859662
10.023546
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7.218738
6.154270
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11.084090
6.876735
7.405972
8.737220
10.233396
10.051962
11.103755
7.580541
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6.764032
6.269042
7.755719
7.569825
8.270483
6.570813
9.395753
8.285864
7.620417
7.066894
10.675450
9.318099
7.075134
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6.121845
5.477905
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8.065020
5.204459
# Label of molecule (81)
0.144949
# Number of Instances of molecule (82)
4
10.257087
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6.369289
7.906934
8.519501
5.966933
6.249657
7.839427
8.215781
6.717689
7.632878
5.804331
6.772744
8.192953
7.306696
7.071337
8.717627
7.336116
5.967788
6.446562
6.509430
8.281335
9.055284
6.374783
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7.715400
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6.781899
6.633824
9.170644
8.081133
8.536103
6.817179
7.121754
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6.399319
8.075518
7.763375
7.335017
9.348750
7.129200
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8.137043
8.210410
6.910688
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5.661168
8.252800
6.366390
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7.325526
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5.198996
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6.897656
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5.566927
6.565981
6.506775
7.834819
5.808634
6.800485
8.193838
6.381893
7.937849
6.872997
6.709540
7.220298
9.072893
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8.588137
6.683416
8.350093
7.675146
8.129505
6.297418
5.566561
6.607364
6.569033
5.499420
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7.188192
6.582949
5.973312
5.822184
8.313715
5.504547
7.477264
6.363094
7.467009
8.626347
9.037980
7.795267
6.923902
5.963301
7.388516
6.418027
6.390194
5.852214
6.522279
6.036180
6.941481
8.761483
6.239189
7.765847
9.144673
6.687078
7.559175
6.363094
6.232475
7.509735
6.878124
7.453703
7.209311
5.687536
8.741218
6.032640
6.760323
6.659978
9.107074
8.615970
8.840709
6.337458
6.981033
7.412442
8.819956
9.052507
8.289422
8.896496
9.055681
5.345119
7.870830
9.152730
8.772103
8.962294
5.460234
6.370052
7.117512
6.439390
5.540803
6.858348
8.277947
6.646428
8.935682
6.964553
7.518891
7.667333
6.019578
7.260949
7.033158
8.391232
7.421232
5.382839
8.467284
6.190359
6.092822
7.889996
7.002762
8.057970
6.622379
7.524628
5.868328
8.582034
7.663060
6.245293
8.155019
6.130787
5.353664
6.407895
8.811655
6.623844
7.608615
6.469298
7.695776
6.263604
7.147542
7.591525
6.553285
6.603214
7.143757
7.517548
6.803293
5.325953
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7.002029
8.109607
8.677129
8.832163
8.862560
8.951430
7.800882
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6.702460
8.331172
8.171621
5.512482
5.198752
8.582766
6.801096
8.499512
8.319819
7.852763
7.003861
8.987808
# Label of molecule (82)
0.157114
# Number of Instances of molecule (83)
5
10.479436
9.193344
9.738606
10.526669
12.720653
8.748360
9.741697
9.090138
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6.478437
10.545119
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5.755921
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10.361805
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10.163692
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8.035160
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5.573147
11.160351
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10.089101
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6.260408
7.744325
5.576529
8.306540
7.863000
7.886535
9.154771
10.274490
9.636516
8.774952
10.769561
7.396022
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8.194656
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8.599528
5.938611
8.711352
7.794262
7.736226
8.615242
7.727425
9.461083
8.158606
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7.527061
7.340433
9.132157
7.448916
5.855082
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8.701773
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5.991119
5.945463
6.269326
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6.520554
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9.404553
6.425581
6.297281
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7.086978
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6.408124
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6.289468
9.337657
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6.480026
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6.612354
5.952055
7.086001
8.812494
8.496689
6.949400
6.876156
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8.915891
8.129246
7.856777
6.525681
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5.952055
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5.840968
6.702811
8.637684
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8.279275
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5.884182
6.258705
8.199927
8.005463
7.223090
6.196936
6.034211
8.252541
7.064150
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8.418683
7.392651
6.116489
6.113559
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6.642140
7.541948
5.974883
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6.291299
9.243294
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8.590320
6.244301
6.635792
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8.702506
7.355296
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7.578326
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6.730888
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7.236396
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6.374798
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6.033601
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9.103763
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5.088977
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4.989883
8.618534
8.