# Number of Dimensions
166
# Number of Examples
92
# Number of Instances of molecule (0)
4
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5.945692
7.172903
5.801035
9.111682
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6.081317
8.672582
7.655461
6.392850
8.000809
7.970168
8.121296
8.326991
7.934034
5.262566
8.849345
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6.776528
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5.993912
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6.750893
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6.091937
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5.902844
7.652898
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6.792032
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5.949965
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8.440641
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8.621921
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8.403287
5.714972
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8.419767
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6.402860
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6.817179
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9.315302
6.364406
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6.474151
6.204733
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
3
10.623953
8.910229
9.459465
10.482843
12.533329
9.069635
11.229146
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6.468780
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4.974349
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5.411252
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5.310541
8.718116
6.124897
8.049150
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5.367550
5.580935
6.408963
6.549715
6.336329
5.665654
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6.962447
8.443693
5.794076
6.599765
6.203146
7.836985
6.887127
5.309320
5.696661
8.161946
5.088977
7.092822
8.642674
8.067339
5.103015
8.091266
4.988021
7.421690
5.019272
4.985458
7.079272
5.614994
6.509308
8.482025
4.868023
7.322810
6.263085
8.196860
7.548158
5.104114
6.543489
5.313593
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6.212790
8.732398
7.389584
8.392056
4.992172
7.744209
5.685186
5.394528
8.233482
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7.246513
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5.110584
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6.183248
5.368160
6.320582
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7.523865
6.244285
6.961837
5.311151
8.813456
4.988144
7.417539
4.998520
8.397794
4.862774
7.295831
5.145985
8.301843
6.899945
6.413968
6.883587
6.287378
8.483123
5.649297
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5.891858
7.532289
5.484252
7.841746
6.183004
6.457060
7.461852
6.157979
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8.384487
6.284692
6.424467
7.155934
5.911145
7.766427
8.498993
6.960616
8.582247
6.965743
6.097797
# Label of molecule (1)
0.800778
# Number of Instances of molecule (2)
4
10.452100
9.120001
9.681124
10.724781
12.582132
8.952288
11.417380
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10.309113
8.894840
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9.925863
12.439631
10.588896
11.477230
11.061858
11.689433
11.853208
11.912520
8.955378
10.938970
9.737334
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12.437405
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11.920204
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10.934488
10.107555
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12.393766
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12.215310
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6.197043
# Label of molecule (2)
0.860293
# Number of Instances of molecule (3)
5
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9.001154
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8.393628
5.586291
7.675222
8.204657
5.891232
5.362163
7.697073
6.966338
9.046113
5.445296
5.737297
8.404492
6.710227
5.563829
8.757164
7.608814
8.599445
7.381878
7.981017
6.345470
9.083590
8.916227
6.652730
5.643300
5.249855
6.759545
6.500870
5.870479
7.616382
8.981780
6.291635
8.179998
7.867000
7.586352
7.842097
5.196387
5.985839
5.396954
6.868435
6.820338
8.313562
9.290765
9.128651
7.622868
5.927015
7.783517
8.643406
7.010910
5.470092
8.415128
7.598331
8.863872
7.593204
8.200034
7.689154
7.687689
5.756355
6.832682
6.084735
6.149922
6.968795
6.569246
8.850810
7.472716
6.989303
8.352626
6.770791
9.256584
9.363399
6.053362
5.942274
7.609439
7.670476
6.704993
7.520081
6.454131
8.357509
6.603305
8.983139
8.891949
5.533448
7.151051
9.299921
5.493652
9.099841
8.317713
6.368191
8.398648
5.591067
7.591983
9.102039
6.090106
9.103381
6.302393
8.541719
7.727485
5.681158
7.178518
6.364895
7.907178
8.542940
9.030625
9.167592
8.729225
7.514710
6.420316
6.896039
6.041887
6.052141
8.200766
7.801584
8.742897
9.221915
6.795328
8.293176
6.008560
8.019608
8.097369
6.063982
7.329524
7.398862
5.858898
6.866619
6.223655
7.386166
6.449370
9.310907
8.506561
8.655736
7.853832
6.060808
7.989334
7.941969
6.790323
5.805307
6.482452
6.661901
5.818735
6.376370
8.978866
6.123188
6.316919
7.391049
6.891156
8.694189
7.198538
8.792093
8.220176
6.308618
7.249077
7.662297
7.526063
7.682928
6.953047
7.686468
6.580844
5.617191
7.688910
5.637333
6.574618
7.759346
8.166463
9.260002
6.751869
8.204062
7.980300
6.929243
6.352687
7.302179
6.157002
7.456481
8.732765
9.057970
8.568209
6.418363
8.539033
7.484680
8.086261
9.385617
8.814920
7.298273
7.357845
8.423917
8.909406
6.320948
8.068438
6.244163
6.067034
8.971297
8.574679
8.375942
7.571352
6.214011
5.779305
5.738533
8.319056
7.347591
7.122852
7.987381
6.698157
7.001267
8.566866
6.006119
5.646245
8.718848
8.445647
# Label of molecule (3)
0.788746
# Number of Instances of molecule (4)
4
10.382340
9.046547
9.610821
10.581333
12.385584
9.104011
11.272200
9.304966
10.517679
8.781473
8.680260
9.919386
9.606266
9.766978
12.711182
10.670863
11.724295
11.078584
11.607153
11.573292
11.773579
8.816039
11.059093
9.686341
9.877642
12.217454
10.576166
9.943771
10.768208
11.718403
12.347235
12.204626
12.227788
11.083349
11.688341
10.960717
10.057714
9.893841
9.136403
11.926119
10.148990
10.308462
12.476316
8.857715
9.076927
12.567042
11.342272
10.086159
11.728612
11.750248
12.528183
8.244183
9.701982
11.741047
9.374253
10.904720
8.376345
12.500397
9.708520
8.303478
9.986016
12.045516
10.681225
8.956592
10.443584
9.038391
10.461953
9.094852
10.611039
9.906583
11.846678
10.330453
10.046134
9.972267
8.378933
9.084751
10.597576
8.443760
8.757367
7.910305
7.471627
6.483747
8.525585
7.531542
8.835551
7.823930
9.676249
6.894143
10.268651
6.552649
10.164010
9.082844
8.314617
7.145683
8.055332
8.647159
9.905380
7.688475
6.956500
7.752511
7.405861
8.902777
6.792419
8.813867
8.258970
7.644818
7.846713
5.837943
7.471391
8.464863
7.590699
8.280510
8.010116
10.256985
8.535932
6.289902
9.179398
11.163148
10.356906
11.488631
6.215553
7.842533
5.959807
7.450894
6.923734
8.631524
7.604530
8.732852
8.745283
8.617890
7.870861
7.937377
6.660168
7.879452
6.594759
10.382446
8.895914
8.116800
6.327475
8.719132
8.170639
6.824905
8.288751
9.669871
7.073881
8.162713
7.204147
5.380105
8.923588
9.071652
7.965079
9.800319
7.259071
10.744131
7.021365
9.075675
8.178816
6.839167
10.989927
5.618307
6.497524
7.507473
9.067168
8.718535
6.838203
6.216549
6.885739
8.105014
6.181372
8.261757
6.261574
7.104984
9.667562
9.518876
8.692679
6.752068
6.355205
9.554643
9.035463
9.850307
9.615802
6.885739
6.707266
8.690115
9.471145
8.013337
6.162328
7.191656
7.332163
6.092746
7.109134
8.944517
9.666463
6.938719
6.346660
7.521256
9.469680
9.742149
7.092044
9.440748
6.417951
7.871487
9.675008
6.153417
6.574816
9.136906
7.474868
9.426099
8.526536
8.888607
5.975311
6.498642
8.823298
7.327525
8.810236
9.391430
9.600421
8.400922
8.677175
6.733879
9.252876
7.659322
6.993774
8.493210
7.040773
6.449446
8.170202
7.975249
6.498764
7.818384
8.374310
7.475112
8.525803
7.502579
8.664113
7.949858
7.028077
7.379162
8.362224
9.090518
5.994354
8.752617
8.547533
8.167272
6.873165
8.851497
9.539384
8.023347
9.131535
9.913053
8.247963
6.591784
8.867367
8.226722
7.268319
6.311136
6.351909
8.515183
9.590533
7.814234
7.377941
7.025025
6.801996
6.265969
9.284860
8.704886
6.657826
6.723624
8.541795
9.842738
7.892727
8.896786
8.757988
7.540056
8.149571
9.679403
5.998993
7.397961
8.901669
9.831263
6.282327
6.786859
7.240730
9.182684
8.127720
9.079043
6.408063
8.737358
9.036561
6.216651
6.942381
8.048982
8.777642
8.990173
6.319315
8.245766
8.350627
6.403302
8.960143
9.079409
9.505692
9.498856
6.479476
6.371319
9.691366
9.019715
6.053682
6.233009
9.309153
6.282449
6.778924
6.434919
6.145726
6.634754
9.896939
9.298288
9.861171
6.875607
6.763909
8.485641
7.405896
6.010224
6.435774
6.064913
8.243934
6.716544
6.745842
6.222144
8.253456
8.897641
6.749260
5.996551
8.127766
9.132557
8.260582
6.052019
9.124866
9.118763
8.503998
7.912427
6.645177
7.546693
8.406339
6.161153
6.049577
5.822642
9.486938
9.367672
6.278222
8.361782
8.363857
7.443907
7.872875
7.340266
7.914747
8.299402
7.492737
7.094897
6.115497
9.579714
8.796365
8.546846
7.434263
8.868023
9.566408
8.022660
7.655461
5.721564
6.950850
6.850383
9.007797
6.919111
8.697974
6.102680
8.472991
8.294153
8.256066
6.863811
8.147908
8.530122
7.617618
6.395657
6.537507
8.289636
5.779427
6.576205
7.651921
6.057146
8.695288
8.987411
6.783120
8.065020
6.595737
9.025254
5.836314
7.682318
6.550325
7.410092
9.092151
7.638859
6.146504
7.468444
8.271081
8.460051
8.161336
8.564913
7.780221
8.488250
6.099384
8.055864
7.013474
6.864177
8.474822
6.143208
6.580721
6.845500
7.707465
6.000870
7.343440
6.835124
9.515015
7.549257
9.128407
8.495697
8.668432
7.253594
5.997208
9.326167
6.993088
6.321192
8.944685
9.072497
7.484436
7.671209
8.902203
9.350703
8.417081
8.053423
6.921186
7.855541
7.321100
5.690435
8.410733
6.529206
6.700110
5.818247
8.304895
7.067675
7.366878
8.500092
8.034989
9.136097
9.270989
9.088366
7.181814
8.671484
5.692877
7.711493
6.681433
7.645940
6.682531
6.157369
6.461943
8.665868
9.611820
8.531831
6.384426
5.781381
8.721900
8.063555
9.363399
8.883404
9.536988
8.435026
7.541688
9.059435
8.019364
6.009781
6.396390
6.287011
8.342860
9.334223
7.647649
6.837931
7.157643
6.287011
5.848521
7.767159
6.223045
7.253105
7.528626
7.863598
9.281732
6.695105
7.768258
6.437651
9.051134
7.498474
7.666326
5.923719
8.908185
6.892743
7.696966
8.789773
7.942213
6.822306
5.491455
5.139882
5.875500
6.668249
7.553529
7.597720
8.435881
8.652318
5.702887
5.661382
8.367397
5.790902
8.146077
6.566683
8.511933
6.034196
5.787240
5.543947
5.320795
7.240043
7.658391
5.852916
5.669927
6.358547
5.340083
6.962081
7.856395
8.203818
8.250328
5.254631
7.647404
5.185049
5.675176
5.630741
8.261681
5.375362
5.416990
8.384243
7.153371
8.290002
8.934187
5.727424
6.476470
5.750740
8.848613
8.339564
8.104205
7.212577
8.695288
8.313684
8.076861
6.924482
6.789102
6.876507
7.356502
8.302332
8.083575
5.257439
5.759041
6.887249
5.896619
7.080493
7.942701
7.265557
5.379513
6.654576
8.324915
7.322932
6.601840
7.538148
7.804758
5.212271
7.129078
5.750862
5.164785
6.404813
5.967666
6.009781
8.028275
6.203635
8.752419
5.363765
6.243797
9.093005
8.049272
8.601047
8.577853
8.297937
6.653478
5.804697
5.584353
6.930708
5.752205
8.433927
7.530580
8.097736
5.830088
6.300195
8.251671
7.342097
6.192892
5.820078
7.810617
6.797403
6.982101
7.914502
8.837748
8.428068
7.557436
5.932020
7.424009
5.729255
5.121448
5.970962
5.445799
7.264092
7.461241
5.974380
5.192373
7.410703
7.681951
7.974197
5.174673
5.696173
6.808145
7.857128
5.987930
6.090838
8.127522
9.031724
9.103626
5.638554
5.150014
8.366054
5.467162
7.798166
7.062426
8.775979
8.775246
5.870128
7.546327
6.835490
6.306055
7.886059
8.840922
5.786264
6.181661
8.331385
6.922529
6.320215
5.933607
6.081194
5.675420
5.510620
5.248161
5.921155
5.930799
8.267052
# Label of molecule (4)
0.869830
# Number of Instances of molecule (5)
4
10.626733
9.042238
9.557204
10.669230
12.289365
8.944047
11.409855
9.339156
10.417514
8.794424
8.682056
10.070369
9.416758
9.987622
12.673992
10.632040
11.649225
11.041005
11.509301
11.767237
12.031500
8.824012
10.924232
9.641803
9.820417
12.446002
10.492136
10.112223
10.774647
11.791164
12.273275
12.179509
12.213004
11.133136
11.454120
10.873599
9.845234
9.801987
9.070241
12.030118
9.959720
10.149298
12.660446
8.754359
9.092448
12.490357
11.649121
10.147480
11.824818
11.463440
12.604162
8.379785
9.653698
11.587964
9.033397
10.980814
8.606758
12.233377
9.386578
8.447522
10.380745
12.163243
10.937116
8.706830
10.564539
9.333425
10.104510
9.121150
10.384416
9.786348
12.139738
7.822918
7.368177
9.467929
6.834250
9.078195
8.284955
11.614326
8.505741
7.633533
7.731542
8.310301
8.075075
5.832415
6.598295
8.830007
10.207126
5.230458
8.433219
8.125256
8.571067
7.719757
10.657446
7.477033
8.563977
11.558498
9.075546
7.438498
9.944482
8.953093
5.336526
8.918792
6.738740
7.990130
10.600975
8.404642
6.906556
6.880406
8.441971
6.670265
8.569036
10.335559
8.456760
10.007612
6.828341
6.391039
7.298611
9.149084
9.452354
7.981718
7.529175
9.385123
5.812263
8.899730
7.043200
9.298279
9.678814
6.740826
6.879220
9.228902
9.562914
6.421233
8.091593
6.035541
5.936835
8.870878
8.372345
8.583694
6.961019
10.088520
8.349353
7.968388
7.479708
8.087086
6.681030
8.055655
7.954547
7.170259
9.096952
9.527046
6.761918
7.045541
6.673771
9.746742
6.651461
9.966364
9.901975
8.235939
9.674935
7.384802
7.110742
7.129569
7.968497
6.957362
7.553848
6.304808
9.129017
7.958937
6.413724
6.174215
9.020981
7.934645
6.800577
7.949293
7.833567
9.061144
6.899335
7.288263
8.219932
8.415494
6.784829
6.593539
6.472930
6.330714
8.512787
8.878643
6.103656
7.822336
7.726264
6.172872
8.320765
5.942152
7.599551
6.546052
7.780587
7.938917
6.490875
7.621769
7.988113
7.096973
8.682836
6.461089
8.719703
9.130604
5.582766
5.686529
7.845042
8.007645
8.759743
5.723518
5.922742
8.078326
6.191305
7.034959
7.943312
7.382504
7.098193
8.221641
6.596469
7.013474
6.737709
7.865795
5.437010
5.409665
8.534516
7.991531
6.323634
6.452300
6.921918
7.017624
7.505921
8.241905
8.269250
8.076861
8.735572
5.429930
5.269524
6.578646
5.775765
7.980422
6.164571
6.887860
6.683752
5.234855
6.178976
7.996292
8.241783
6.159444
6.541658
8.060991
8.911847
8.643651
8.467742
7.685614
8.688940
8.731178
7.476501
5.817759
8.227256
6.654454
7.419980
8.139851
5.614994
8.549043
7.597720
5.825083
7.173269
8.722510
6.332667
8.538911
6.652135
7.353206
6.382717
5.553713
5.201285
8.493866
5.563112
6.859294
6.488433
5.254265
5.955214
6.137837
7.341853
9.039781
9.075671
5.483032
6.290063
5.717780
6.381619
7.735054
6.376980
7.591006
8.487884
8.307825
6.623081
8.048662
6.468169
8.384732
6.512360
7.772774
8.618748
5.355098
5.875500
7.375423
6.057512
6.368435
8.548555
7.338435
6.534333
8.880840
8.178671
6.134785
5.826182
6.068499
8.553438
5.403928
8.095294
8.983871
8.829691
9.056383
8.580905
7.327937
6.033708
5.182974
6.003555
8.715918
5.212760
5.645756
6.055315
6.309229
5.607059
8.220542
5.139271
8.087970
7.124928
7.771798
8.091021
8.044267
6.575106
7.110034
5.099475
9.061144
7.934400
5.261345
7.505921
7.730903
8.353481
5.705573
5.188345
6.225486
6.697546
7.973830
8.750587
8.143757
7.137379
6.350612
6.358913
7.038377
8.826395
7.944777
7.604434
8.497406
9.038804
6.000381
8.760720
8.655614
5.143910
6.326685
7.817454
6.010147
6.791665
6.719153
7.661809
5.416379
7.682318
7.248222
7.781930
7.138112
8.299646
7.289605
6.871014
7.827342
6.978317
7.173147
8.703467
6.309351
6.682653
6.321924
5.659551
9.046861
6.871502
7.760445
8.274133
8.158773
7.823923
8.863384
7.183035
6.869549
8.800516
8.222983
7.843455
5.261956
7.416440
8.507538
8.402799
5.210685
5.599490
5.187246
5.090320
7.369930
5.510254
9.003647
7.508484
7.090625
8.796365
8.053179
8.195639
6.143208
6.559481
5.366329
8.839702
7.118824
5.407834
5.852184
7.513123
7.386532
8.968734
8.484832
5.307733
7.478820
8.237877
5.607913
8.742042
6.782998
8.139851
5.231559
6.317530
5.411740
7.673650
6.195090
7.598575
5.128407
9.019761
6.073138
7.189627
8.201865
8.982772
7.698798
5.987808
7.065966
8.145955
8.178304
8.081866
7.659734
7.110157
8.273766
5.675909
7.320246
5.194815
6.027604
6.411283
6.107318
6.974776
8.504242
7.461608
8.431608
8.027543
5.523438
6.776406
5.862438
5.266594
7.262749
7.848216
5.990982
7.236869
5.598880
8.378384
6.222556
5.743538
9.070055
5.215567
5.373775
8.194906
7.326960
5.943495
7.949660
8.028275
6.953902
7.491882
5.974502
8.599094
6.530061
8.144978
5.254265
5.904798
8.809183
5.325312
8.941389
6.236106
5.992325
7.827952
7.968215
7.468444
9.121570
8.658055
7.268365
8.625584
7.801218
7.371883
9.713752
6.101703
6.949385
7.546083
7.968581
8.069536
8.855815
6.298853
8.408170
6.777383
6.951094
7.365047
7.617130
7.247124
7.005539
8.008377
9.007065
8.743507
8.632298
7.143727
7.424863
9.393307
5.970473
8.045854
7.629093
6.327296
8.423429
7.018357
8.508148
9.721198
8.325404
9.399777
6.915815
7.108203
8.414762
8.278771
8.998886
8.343471
7.984695
7.297906
6.891522
7.588321
8.590793
6.915448
8.653172
8.695288
6.186300
7.505188
7.321711
6.365261
6.564119
8.666478
8.961043
9.454711
6.976485
6.119648
9.573366
6.803873
8.810648
9.564333
8.755959
5.965712
8.193686
6.870159
5.973525
9.207633
9.402707
5.982681
7.323908
9.159902
7.953444
7.912183
8.669530
8.490936
8.244835
6.183859
7.012864
5.977554
6.632481
6.125752
5.987442
9.351192
8.807230
7.364925
7.342219
9.290643
8.353114
6.911786
6.292261
6.939863
7.360286
6.204611
6.612217
9.323725
5.967544
7.489196
9.346797
9.035630
9.709357
6.910810
7.012986
6.576449
9.542482
9.691534
9.171010
7.714667
7.428282
6.767251
7.234550
6.245506
6.343165
6.263573
8.401700
8.524018
9.594974
7.179617
6.575350
6.145894
8.318201
8.659520
8.152058
9.152577
6.024674
6.223655
8.552583
6.133320
7.083422
8.337977
9.370235
7.602969
6.005142
8.691259
8.010697
7.025681
8.406827
7.560488
9.699469
7.864086
8.530488
9.637089
9.731330
7.025437
6.192282
7.687323
7.836985
7.082324
8.035600
7.426206
6.542268
7.641057
7.964431
6.974899
7.393857
8.233726
7.630924
# Label of molecule (5)
0.824031
# Number of Instances of molecule (6)
3
10.509584
9.015686
9.573852
10.724645
12.425594
8.965643
11.484006
9.279852
10.486290
8.934851
8.502076
9.956199
9.541554
9.920026
12.677450
10.575457
11.784057
11.120519
11.662448
11.621801
11.851523
8.987055
11.071800
9.636504
9.817310
12.378627
10.671731
10.050595
10.917342
11.831089
12.520337
11.951774
12.100177
11.378166
11.738635
10.888750
9.824409
9.936349
9.036637
11.996860
10.145978
10.420650
12.422445
8.843143
9.283144
12.548134
11.603871
10.027796
11.657178
11.545373
12.430772
8.285660
9.735545
11.624927
9.333903
10.920166
8.351264
12.614403
9.520063
8.702924
10.213661
12.539802
10.403061
8.654506
10.679159
9.324028
10.221807
9.289175
10.476574
10.255201
11.932823
10.275897
9.696123
9.914303
8.279098
8.659690
10.407777
11.180752
6.618627
9.136491
10.437905
8.641645
6.434324
6.404541
5.978317
8.437298
9.588343
6.395093
9.383026
9.209755
8.649603
8.593359
10.065459
7.047403
10.842333
7.900013
10.565119
7.889022
8.326141
10.422345
7.377712
7.941843
6.916619
10.333977
10.423920
8.028205
6.788306
8.068861
10.453112
5.671782
9.649372
7.895876
5.968749
8.030532
7.950237
7.471201
9.719762
8.163202
10.376043
10.171627
9.395209
9.170185
6.077288
9.342401
8.079559
11.545855
7.226952
8.271969
8.354677
9.412258
10.712733
7.040807
7.812777
6.978615
8.691456
11.416886
9.235292
8.888343
6.451106
9.150740
9.123056
7.051476
9.574320
9.568478
6.962219
9.877832
7.289443
5.967966
9.855812
9.264977
7.322587
7.164817
5.748022
7.928899
8.116663
8.243314
8.251998
9.864636
8.195020
7.027845
8.325789
7.111235
10.310312
6.866112
8.745647
6.211332
6.558870
8.936018
5.932997
8.537812
6.746742
5.771249
7.105640
6.419462
6.626499
6.757607
8.633152
7.113330
8.949446
8.121662
6.621494
7.257256
5.828867
7.567324
8.862407
7.797922
6.853191
8.819681
5.425169
6.906293
8.127766
7.505676
8.868267
5.166494
7.122608
5.745125
7.941237
5.413327
6.198996
8.828227
8.655126
7.592837
5.691290
7.353328
6.593905
9.021714
5.417600
6.201804
8.344203
6.420194
7.496277
7.722236
5.916150
6.093280
7.341243
6.502106
6.032609
6.634678
5.712287
7.099170
6.159444
8.530732
8.695288
6.110004
7.153371
7.035936
8.486419
5.947890
6.402615
6.698767
7.856883
5.708625
5.333857
5.909314
5.171865
8.495331
7.161794
5.846690
6.839396
6.580233
6.755898
8.198569
8.063433
7.778024
8.499237
8.029984
8.777078
8.403165
6.014664
6.175924
5.630497
8.190146
7.633122
7.531800
6.908612
8.548555
5.478515
5.616337
7.252739
5.529176
8.046587
7.785470
5.062487
6.877117
6.148213
5.467040
7.453307
8.543794
8.097613
7.796091
5.640873
8.036576
6.015763
7.021287
5.634037
5.979385
5.127552
6.062273
5.103870
5.257805
5.924696
8.588839
5.309809
7.126637
7.071703
5.998428
8.954329
5.652226
6.928755
5.668584
8.842387
7.867016
7.567324
6.855998
6.221458
9.008530
7.151662
8.620579
7.674993
6.220481
8.564180
8.146077
7.446226
8.089312
6.146260
5.836924
8.066851
7.391781
6.433012
7.560610
6.164815
6.428373
8.753883
8.415128
8.327601
6.317774
5.575686
8.394620
7.893872
5.627323
8.463958
8.328455
7.551454
7.714179
7.534242
8.468230
6.613804
6.152486
6.273095
6.098895
5.851573
7.622135
8.654759
5.532472
4.945173
7.869213
7.995437
8.356166
6.822916
6.170186
8.577975
6.552644
7.268975
8.472381
7.036180
7.448424
8.021561
5.459593
7.564272
5.955214
8.819559
7.007126
6.451201
7.099048
6.292138
7.455016
8.295373
5.634526
7.216605
8.907453
6.773476
6.120991
8.017777
8.929060
8.839457
8.833720
6.384304
5.015122
7.227348
8.886944
8.878277
6.210471
8.135090
5.941786
8.410123
8.251549
6.961959
7.876659
7.458556
6.606235
6.975997
5.791025
8.904523
7.789254
5.786508
7.723701
6.359279
5.322993
8.495453
8.453337
7.860057
8.724586
8.404141
6.762612
8.805643
7.889233
6.149922
7.536927
8.011429
5.248650
8.146321
8.074908
6.756020
6.076922
7.204398
5.983779
8.694189
7.320124
6.207419
8.037065
8.512787
7.324030
7.716254
5.366329
7.204154
8.836283
6.378811
6.366482
5.830699
5.655400
7.019700
8.684179
7.657414
5.305170
5.283685
5.669073
8.526582
6.105487
5.710211
8.660863
5.348872
5.017930
6.110981
8.485687
6.588290
6.639805
7.128712
5.540895
6.612094
5.720222
7.849803
7.838939
7.784982
5.576662
6.346461
6.387234
8.178793
8.783792
6.024186
7.280450
6.775552
6.509796
6.648595
5.876843
8.037675
6.878948
8.926984
6.437407
5.718757
8.729347
7.519349
8.598849
7.794259
5.146352
5.354610
8.059648
6.381863
7.143971
8.125935
8.850566
6.530427
7.868725
7.841258
6.566439
5.750618
5.703253
6.303003
7.934645
6.162984
6.642491
7.393246
6.093280
7.138356
8.318934
5.037217
4.956160
8.304285
6.050188
7.723457
8.039018
6.795450
7.287042
6.451323
5.119495
6.620029
6.832072
6.985641
8.112262
# Label of molecule (6)
0.884807
# Number of Instances of molecule (7)
5
10.625411
9.038479
9.635867
10.599244
12.433976
9.015796
11.388643
9.320085
10.466545
8.905928
8.694415
10.034246
9.552221
9.733462
12.680809
10.626311
11.516596
11.205933
11.558915
11.689686
11.716372
8.979029
10.945891
9.535983
9.894851
12.291241
10.483425
10.165351
11.054003
11.855897
12.190136
11.942260
12.104382
11.200656
11.591975
10.804584
9.973159
9.807379
8.994296
11.949307
10.014260
10.218268
12.650948
8.843726
9.048867
12.625134
11.377422
10.039163
11.654147
11.578465
12.669864
8.081985
9.667146
11.751710
9.379004
11.017293
8.538680
12.239223
9.812394
8.560123
10.012202
12.087583
10.485735
8.734122
10.489471
9.435396
10.434856
9.297069
10.168450
10.024741
9.463781
8.351064
8.423486
9.677028
6.994818
8.696314
7.765131
10.499495
7.203289
7.623352
8.725369
8.264946
5.962492
6.210645
7.986704
6.854663
11.020464
7.212942
7.275376
8.346388
8.875339
9.487350
9.782926
5.513204
7.796207
8.998152
7.708904
7.681249
8.341615
11.162899
7.158015
8.326617
6.826005
7.739530
10.751935
5.758719
7.094185
8.002500
9.183223
8.405135
6.632261
8.019816
7.130979
8.966896
6.384283
6.215776
7.767805
10.544541
10.022781
9.344614
6.384043
6.271556
7.273956
8.623892
8.271257
10.624003
7.165304
9.291741
7.722268
6.871420
8.505974
6.797732
7.734586
6.081916
5.860167
9.227129
7.902157
8.691897
6.914432
9.353325
8.167097
7.183953
9.669795
9.437916
7.907803
8.588751
8.940814
6.036939
7.407714
9.644037
6.355957
8.097548
6.857693
8.569516
8.432159
8.971458
9.399533
10.437067
10.146850
6.838129
8.117688
5.779454
9.605823
5.905079
9.621352
9.483090
6.121601
6.337184
5.839244
7.683538
7.319391
6.277612
6.751991
8.326502
8.147542
8.833232
7.783883
6.846355
6.867962
6.265893
6.026139
6.874187
8.826029
7.125538
8.055864
7.282647
5.447630
6.232933
8.428922
7.243339
5.823496
6.532014
5.697394
5.340815
8.253014
8.682104
6.325587
7.614200
5.124500
6.268822
8.877789
5.404416
8.507416
6.506623
6.856609
5.881481
5.828135
6.308985
6.563875
8.125813
5.009873
7.599796
6.359035
7.638981
6.445341
5.742683
5.693121
6.160421
5.182363
6.963057
6.288720
5.662847
8.695288
8.635838
5.845225
7.402036
5.615848
6.316553
6.641758
6.897382
6.802408
5.389767
7.413511
5.716315
6.117695
5.208121
8.876812
6.938643
6.293970
5.600955
5.277215
7.175588
5.258538
7.622623
8.336879
8.018632
8.295862
6.419950
7.973708
7.792917
5.419187
8.090899
8.171102
8.490081
7.330012
8.410733
6.369289
6.756630
7.337092
5.299799
6.756508
7.810862
6.611484
6.910199
7.832224
7.165212
6.153584
7.201590
6.620151
7.028001
6.844768
6.887860
7.903760
8.260460
8.960921
7.622623
8.860820
8.762429
8.521210
5.304682
7.470763
5.163198
5.848399
6.373318
5.070910
8.692969
7.715400
8.972884
7.436705
8.106891
6.450591
8.857524
6.758705
6.540925
5.382565
7.914991
8.894635
5.171621
5.992691
5.181143
8.269250
8.555025
6.155171
8.223228
6.797647
8.520112
8.838237
8.763039
7.207327
5.494140
6.639683
8.419401
5.132313
8.129963
5.535646
6.442412
6.358669
6.114032
5.213370
7.313654
5.589480
5.029527
7.365902
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5.112171
6.149312
5.321894
7.363948
5.736335
8.032060
6.387967
7.716376
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5.631840
6.784585
6.065081
9.083239
8.177572
5.123524
8.809183
7.640934
7.757515
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7.522401
7.017136
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7.875195
7.567202
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6.395047
5.840587
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5.962661
6.068987
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8.668432
6.106342
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5.964370
9.012925
7.563540
7.347346
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8.013504
6.725501
8.725562
8.776955
7.593204
8.975814
6.587558
6.444243
7.889233
5.601566
8.899640
8.713843
6.757118
7.916456
5.938124
7.548524
6.453154
7.967971
6.766640
5.290033
8.372890
5.208609
5.453001
6.699744
6.717689
8.500214
6.905927
5.272210
5.968154
8.830180
8.201498
6.198263
9.034776
8.113971
5.278924
6.350246
8.964949
7.458556
8.877178
5.666387
7.079516
8.261315
7.589053
6.309107
6.413358
5.519776
5.907605
5.970107
7.335871
6.728065
7.140309
5.700934
6.226585
7.733711
9.063952
6.640538
8.079913
6.930342
6.197775
8.016923
5.914808
5.161611
6.569246
8.796854
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8.711402
8.845805
5.359004
6.819987
6.753212
7.709418
7.566713
5.503906
8.638524
5.348140
5.611942
7.849559
8.392911
8.941023
6.009781
5.557985
5.800180
8.007523
5.114978
6.711707
7.447081
7.501892
6.538118
7.316462
5.102893
6.523713
6.833903
8.649022
6.811319
6.519929
7.839061
7.283380
6.067522
6.854778
8.032792
6.673009
8.456389
7.622257
7.296442
5.161611
5.126576
5.574709
5.445799
5.299066
8.476043
7.044969
8.912824
7.337336
7.421690
7.734199
5.949477
7.780099
5.632939
7.242851
8.731544
5.863781
8.098956
8.218955
6.734169
6.841105
7.406796
7.997757
5.757820
8.946394
7.107227
8.609592
8.975936
6.913739
5.539674
9.028916
5.462188
5.508698
8.976577
5.838054
9.052263
8.069201
6.266900
5.734169
7.172323
6.529359
6.963942
8.226920
6.918165
6.604801
5.901898
8.001205
6.342097
5.460723
5.070818
6.005051
7.918806
6.789743
7.328333
5.351466
8.098010
5.256493
7.135701
6.774361
6.317682
8.184927
8.692022
6.515320
6.853099
8.362178
7.841899
5.514557
8.876720
7.835063
8.131947
8.781259
6.104175
6.574038
7.389981
7.818705
7.401700
7.878277
5.203146
8.979751
7.728126
6.399106
7.669652
8.626347
8.789804
6.655095
7.797952
5.968673
6.779244
5.914106
5.931074
6.459166
6.576601
5.318262
8.567873
6.616764
7.785867
7.125202
5.957808
5.154561
5.982467
5.942061
6.845531
7.288659
6.547304
7.826884
6.737251
7.100299
6.460021
5.131123
8.066637
6.828806
5.430815
8.961440
8.633671
5.968429
5.740394
7.130573
8.691900
7.045854
6.168386
5.478668
5.059465
6.950636
5.380642
8.434812
6.628605
8.697516
8.153798
8.695563
7.647679
6.491638
5.810099
5.897137
5.152852
6.974441
8.238884
8.154164
8.922864
7.524018
6.877758
8.339351
6.331233
6.484680
6.031053
8.982681
6.473815
6.202445
5.898724
7.660619
5.942793
7.738380
6.690374
8.754036
8.625370
6.138356
5.201559
5.447295
5.900555
5.131489
5.225486
5.845256
5.609653
8.134022
5.174825
7.082110
8.174184
8.431272
8.291253
7.297082
6.238701
7.416837
6.813791
7.353236
6.210990
7.759133
5.485137
8.172964
8.075915
6.373959
7.767678
7.564547
5.858196
6.076342
6.144948
6.418638
5.108051
6.786813
7.886334
8.144032
7.785257
7.167928
5.644566
5.222068
8.917127
5.564974
8.267327
8.753670
5.368389
7.048738
7.528733
6.157720
7.979308
8.075503
8.471389
5.515244
5.300760
6.293832
8.877529
8.581011
5.401715
6.213630
5.297708
7.142125
7.883847
7.203284
7.538987
8.712851
6.833033
8.364940
8.235542
9.107639
5.606433
7.525315
7.194739
7.320109
6.829493
6.220588
8.890835
5.580920
6.979400
6.546648
5.481063
7.470382
6.929594
7.752739
7.722709
8.961272
7.830500
8.451857
8.160466
7.265664
7.700491
6.323374
6.965239
6.362072
8.102969
9.182958
8.794031
8.076968
6.284921
5.294290
9.049409
7.595752
6.151006
6.798608
5.912595
6.278817
7.448531
6.135990
8.524491
8.657552
6.537980
7.333781
5.689688
8.483718
8.125919
8.037538
5.480453
6.710227
5.332011
6.158574
6.112552
6.275643
7.468429
7.015046
8.470168
6.568499
8.904141
8.838099
6.654195
6.446059
6.390393
6.522111
6.929838
6.683370
6.223640
7.491379
7.445479
8.726646
8.616291
7.558763
9.102512
8.626301
6.656636
8.651570
5.946532
7.024567
7.227332
6.280404
5.458846
6.073611
7.261635
8.624226
7.119541
6.156987
8.708823
7.107944
5.619984
5.291482
5.586901
8.347484
7.099399
6.084475
6.496353
7.336467
8.778405
9.119480
5.967772
7.751030
6.366588
5.646596
8.023499
5.245338
7.619922
8.454909
7.322550
7.616016
8.418775
5.795526
7.268105
7.706961
5.746696
5.238136
8.450148
6.933500
7.942076
8.330393
6.799219
5.296243
8.597736
6.936430
6.826563
7.764702
8.483963
6.132084
5.324076
6.900540
7.871273
8.527909
6.902127
7.600024
5.624378
8.897549
6.735374
5.827876
7.447066
5.986206
5.898068
7.218299
7.648122
8.373486
6.657247
5.417829
# Label of molecule (7)
0.811960
# Number of Instances of molecule (8)
4
10.607556
9.129247
9.618128
10.504784
12.347374
9.094001
11.382796
9.285337
10.288984
8.914768
8.659084
9.832690
9.393822
9.822456
12.750570
10.554084
11.481202
10.991788
11.633694
11.523079
11.828475
8.979861
11.112129
9.493521
9.694365
12.354516
10.541518
10.020281
10.830104
11.691568
12.458753
12.123173
11.934620
11.328944
11.730459
10.758924
10.048935
9.708796
9.146652
11.782535
10.028962
10.437079
12.464677
8.826123
9.250839
12.517800
11.509365
10.199925
11.663875
11.626244
12.594113
8.326641
9.848872
11.335748
9.171372
10.492107
8.604116
12.195085
9.544276
8.631935
10.417350
11.918455
10.831149
8.544377
10.600150
9.411118
10.270950
9.337342
10.569305
10.183801
11.806381
10.383239
9.943435
9.848628
8.661300
8.800133
10.401198
10.970194
8.526762
7.684161
7.452626
6.120416
6.607754
6.509917
8.883156
6.665872
10.436085
6.313447
8.092028
6.307766
8.222589
8.624571
11.584002
7.399376
8.406182
10.564483
10.398714
9.159642
9.002272
11.082101
5.830965
8.669951
6.574831
9.743268
9.082443
6.711216
6.304955
6.381797
8.969331
8.595028
6.794828
7.257919
5.607394
11.081083
5.751078
8.867025
10.823411
10.303226
10.203572
10.480118
9.241019
7.124710
6.968466
7.297040
5.921071
9.994716
8.129595
9.073509
7.054340
8.879059
7.953561
5.584422
6.306131
8.155005
7.827399
11.758207
7.317153
11.031476
7.682114
8.708115
8.394946
6.247850
8.906631
8.585440
5.465130
7.429542
6.569892
6.651085
8.880448
9.660912
6.460813
8.782907
6.987770
10.712929
6.908974
9.803591
7.728584
9.585304
7.753112
6.495669
7.975091
7.620183
8.728640
7.038360
9.855403
8.599034
5.129551
7.155370
8.615619
8.653829
6.945647
6.824061
6.132023
7.326395
7.114231
8.126835
7.204443
4.857570
5.305460
5.423750
7.912351
6.529008
5.523118
8.063601
5.896054
5.010529
7.072604
6.173650
4.774560
6.116031
7.146458
6.724326
6.366894
5.269692
6.902066
6.241279
5.594287
8.057985
6.906461
8.541276
4.937162
6.242744
7.823481
5.866146
7.320536
6.611286
6.217597
7.791375
8.305673
8.035035
5.350505
8.281381
6.460036
8.116581
6.844935
7.269265
4.783593
6.796106
7.089938
5.135289
6.062685
8.294565
8.264290
6.458205
7.030000
8.767113
7.851192
7.414411
6.204535
7.043184
8.521012
7.202246
6.284982
5.827082
8.255623
5.863582
5.973571
8.734764
8.589984
4.878445
6.104678
8.540666
4.846095
4.909330
4.952788
8.012207
8.234382
5.068026
7.595447
8.703635
7.696280
6.081240
8.205573
5.086337
5.365398
5.729301
6.148381
7.390973
5.519822
4.933622
6.759239
6.533403
6.901822
4.868068
7.673818
8.503800
6.280099
5.467696
5.590258
7.590320
7.128880
5.711234
8.335093
5.814753
5.299112
8.053102
7.108127
7.953124
5.557543
7.377178
5.783624
7.517075
4.867214
6.850185
6.139592
5.072787
8.285165
5.048372
5.893002
6.269356
5.352580
8.731834
8.413587
4.953154
4.852809
7.643300
4.993072
6.743980
7.810175
5.704886
8.544816
6.446608
8.606708
4.987945
7.605213
6.673055
8.091311
4.832545
7.518906
7.051729
8.555925
8.488296
7.675405
7.395856
6.453322
7.656117
5.676565
6.209906
8.733055
5.301187
5.309488
5.905210
8.668600
7.116428
7.197729
6.102481
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6.007141
7.007782
8.394910
6.633625
5.976501
6.078021
6.189230
5.805673
5.713019
6.886761
9.150136
8.060137
6.202414
5.252556
7.475768
6.879925
8.281335
8.587374
7.494812
7.910230
8.235801
8.701392
8.155721
8.726295
6.583529
9.069323
7.177297
6.424345
7.563173
8.461882
7.221610
7.764595
9.085070
8.821146
8.466155
8.745094
8.517792
5.251091
7.948805
8.480560
7.685858
6.002823
8.061480
8.260094
6.453398
8.324671
6.567171
8.660253
8.268273
6.055437
6.515900
7.587344
7.042161
6.835734
6.433256
8.124714
6.742958
6.809732
9.157582
7.059252
7.070727
8.695288
5.701422
8.963607
6.596835
7.095996
8.510834
8.706763
8.737403
6.930586
6.496979
7.270196
5.938856
6.853801
8.218955
7.743721
7.448912
5.545289
5.586673
8.375576
6.047868
6.740516
8.465667
7.552065
9.117420
8.878399
6.551668
5.582766
5.418577
7.241508
8.897198
6.164937
8.957259
6.463530
5.458617
6.401761
7.309137
7.278863
9.044053
6.252098
7.782052
5.388791
6.032243
6.283227
8.787820
6.321192
6.242576
8.603977
5.801279
6.155904
8.326502
5.852916
7.279595
5.993057
7.057665
9.115589
5.917249
6.039079
6.896893
7.646672
8.613376
7.183889
8.203818
7.271661
6.522370
5.945448
6.472564
8.343959
8.568697
6.657506
6.967086
6.130390
7.795114
8.773415
7.127613
6.502960
7.922926
9.162221
9.127674
7.808542
7.497864
5.272454
6.953169
5.794565
8.997421
7.038743
6.380886
8.464690
6.273095
7.403012
6.229514
5.736824
5.705084
7.331233
7.259819
8.784646
6.440947
5.194571
9.097766
7.929518
7.097095
6.395291
5.556398
7.965651
8.295251
7.106616
6.731483
5.787729
6.409574
8.008255
6.244163
7.770455
5.892956
5.661626
7.494446
8.862041
8.783303
8.544527
8.274865
7.813913
7.569399
8.033647
5.330805
8.136677
8.507050
7.868114
8.646825
8.023881
5.947523
7.057054
6.875042
7.413999
6.347438
6.140400
6.059832
8.170003
6.050920
6.755043
6.572298
7.250298
5.221183
7.380306
7.631779
8.748024
6.294946
8.138386
6.787149
6.670446
7.335505
7.523988
7.735664
8.338954
6.659093
7.939772
7.850536
6.276879
5.109973
8.909650
6.796793
8.468963
6.358547
8.848613
7.606265
6.858928
5.598392
6.261376
7.589663
5.968032
7.016404
5.245354
6.458647
7.502503
8.411100
8.174398
9.034776
8.830180
5.334956
8.435881
5.918592
7.198904
5.135609
6.098529
5.495361
7.571963
7.268609
7.385067
8.651097
5.955092
8.260460
6.823160
7.574648
6.092303
7.694403
8.952620
8.021439
5.402097
5.594852
8.461150
8.412198
8.032182
7.585025
5.625980
7.142872
8.905377
8.192709
7.933790
7.481140
6.633213
8.680273
6.756142
7.422910
5.172720
7.772530
7.954665
7.885327
6.097797
5.658452
5.290399
6.610385
7.365535
7.640812
7.514100
7.155202
6.447905
7.809397
8.008499
6.342189
7.706732
7.113086
7.863842
5.545900
7.884960
6.205100
5.255242
5.190420
7.590762
7.436216
6.001358
7.833323
6.648595
6.372341
8.176473
5.209220
7.192557
7.209891
7.653752
6.611240
6.376736
6.464507
5.452025
7.981399
6.577670
7.308771
7.762764
7.088305
8.964583
8.933088
7.531312
8.165242
6.310694
5.304315
6.468535
5.384396
8.923811
5.699713
6.366726
8.541963
7.565615
7.386776
8.594943
8.328578
7.242241
8.828715
6.648961
8.561983
7.734077
5.786630
# Label of molecule (8)
0.846746
# Number of Instances of molecule (9)
4
10.542437
8.915071
9.657377
10.567159
12.549886
8.991482
11.408808
9.252965
10.538739
8.876405
8.656907
10.074522
9.569639
10.014792
12.529973
10.500501
11.777396
11.016457
11.508856
11.549286
11.826406
8.791859
10.882598
9.515335
9.793105
12.123429
10.612642
10.162529
10.830035
11.870911
12.383389
12.055464
12.011403
11.136911
11.611599
10.894771
9.921308
9.711782
9.271189
11.852014
9.932192
10.342072
12.700666
8.881734
9.102305
12.423665
11.621671
10.168745
11.568365
11.651645
12.404264
8.387661
9.711636
11.625370
9.486338
10.480000
8.320288
12.429116
9.765918
8.654103
10.372161
12.316112
10.809328
8.807794
10.658588
9.382749
10.592847
9.419079
10.114167
9.722825
12.378486
9.950443
9.894732
10.168175
8.639200
8.854702
10.499106
11.007273
8.818234
10.154280
8.934498
7.985591
6.375766
8.437145
6.957399
5.927047
10.927931
5.461124
9.133317
6.074603
8.396716
8.709436
9.464580
5.769956
9.334440
9.098159
8.575063
7.747225
9.048132
9.862685
8.366300
6.066322
8.006761
9.704941
10.779976
6.912015
5.614331
8.139344
9.362530
8.316820
7.718251
9.441783
7.826462
8.100425
6.489917
6.955253
9.808238
11.265895
8.096002
8.635485
7.139659
6.439150
7.990964
6.935834
8.493588
8.314995
8.529134
8.197612
7.013083
8.693278
11.056140
6.330749
8.758396
6.924640
7.598483
11.613612
9.543345
10.605721
9.006509
10.346186
9.185675
7.950952
9.691248
9.099939
7.937492
9.813554
7.584965
7.408358
8.687129
7.744430
7.539555
7.138927
6.332566
8.563711
9.245558
9.867285
9.484292
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9.412837
7.107039
5.871105
6.032125
8.624417
6.725319
9.463904
8.801634
8.761818
5.341914
7.118213
6.408353
8.117023
7.335871
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6.373440
6.190085
7.282647
5.746834
6.928144
6.717933
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8.644993
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6.015763
6.952925
6.535554
6.621738
5.204825
7.874462
6.966720
5.600101
7.714301
8.159749
6.905072
6.884930
8.430876
6.213523
7.226127
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6.872112
8.041948
5.664190
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6.758461
5.826792
5.599857
8.343348
6.358180
6.803995
8.056963
5.620243
5.981216
7.321100
8.285974
7.906568
4.996200
4.950789
8.309046
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6.745888
7.533021
6.799844
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5.675176
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6.772134
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4.963973
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8.478362
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4.976913
6.619053
7.195486
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5.907605
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6.411527
5.008652
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7.722358
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7.079028
7.218314
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6.163839
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6.793985
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5.363765
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8.553438
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6.197287
7.287652
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7.847728
8.718162
7.065523
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5.247719
7.014618
8.020020
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5.582690
8.937284
5.506760
6.490310
7.034883
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8.599384
7.448469
5.278848
7.909543
7.469832
5.514939
8.290170
8.633930
8.665914
6.810877
7.164159
8.531999
7.942747
7.312967
6.179632
5.102817
7.523911
6.576861
5.976745
7.421491
6.667318
7.673208
7.728874
9.069124
8.411023
8.707785
8.181158
5.587573
7.373028
5.303873
5.431196
6.833338
5.481979
5.420209
5.327189
8.603168
8.511612
7.879757
8.357921
5.909116
6.294137
5.983703
6.909879
8.277352
5.490890
7.588488
8.767113
7.444197
5.790094
9.016266
8.727805
5.826838
8.410413
6.177923
8.213263
8.142094
7.783929
8.281991
8.743797
8.547990
7.294412
5.502976
7.156835
7.684683
5.944151
7.988159
6.442946
7.988403
8.826930
7.572253
6.073061
5.653615
8.278817
7.581286
5.693289
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6.062075
7.952635
5.119663
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6.778161
7.527696
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6.728721
8.606708
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7.886593
5.485153
7.473006
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8.937162
5.794488
7.672231
7.482772
7.211035
8.325938
5.336589
5.470382
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7.550035
6.525346
5.778375
7.068331
6.412427
7.867428
9.053743
8.727927
5.404706
6.636555
6.682211
6.628864
6.410718
5.129063
6.287545
8.094241
5.699149
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5.813654
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8.441420
6.985931
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7.372906
7.126804
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5.610523
8.091311
8.251473
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5.827082
7.097751
5.655934
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8.125004
8.463759
8.886135
6.849940
6.061586
7.302469
8.952055
6.339793
5.320841
6.698691
5.860897
7.696524
8.398206
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8.298715
6.847621
5.459960
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7.646794
7.673528
5.078722
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6.402127
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7.896802
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8.030351
5.426145
7.172170
4.809305
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5.549684
5.716803
7.825388
5.746834
6.729774
5.356197
8.212973
7.182302
7.215140
6.801187
5.071764
7.773507
7.202689
8.106525
6.710608
6.080096
8.325282
5.090564
7.614322
6.815470
8.068438
7.090747
5.030015
6.911054
5.993667
7.429502
7.045213
6.228050
8.639622
5.966811
6.031266
7.294488
5.978408
7.113208
5.331782
6.438139
6.302637
6.678991
5.065905
8.695288
6.415677
6.934370
6.925214
4.866070
8.002274
5.255242
7.836863
7.095141
5.054186
7.730415
6.369655
5.348262
5.225333
5.103870
7.757149
5.165029
5.990493
6.429594
7.412046
5.058092
8.485931
7.810251
6.809732
5.936659
5.902234
7.598697
5.611332
6.928388
5.308954
5.434080
7.906934
7.974441
7.782907
8.489593
6.447905
5.573000
5.715339
6.305933
6.749428
6.047014
6.176412
5.585696
6.932783
6.709021
7.205863
6.324244
7.186209
5.300165
7.911451
6.649937
4.717261
8.078204
7.245415
5.752327
8.073199
4.927473
8.335780
8.270104
6.702063
5.869152
7.247734
7.515076
5.632939
7.343074
7.050096
6.907147
5.146718
6.639317
8.060015
4.995590
7.314631
4.852886
7.143605
7.441099
5.279290
4.736427
4.946272
7.332942
5.152333
7.827097
5.927259
5.218497
8.405240
5.220817
6.073138
6.217795
8.625462
6.371364
5.168447
5.599002
6.516999
8.286828
6.492950
8.190390
5.016709
5.499512
4.825785
5.002426
8.403653
7.185232
5.628666
8.436857
7.273614
5.804575
8.283166
5.455321
5.259636
7.644597
8.258507
# Label of molecule (9)
0.885058
# Number of Instances of molecule (10)
4
10.484481
9.026223
9.527114
10.757662
12.581026
9.125015
11.476013
9.387355
10.551150
8.745024
8.606347
10.051479
9.352470
9.764610
12.587677
10.703927
11.635655
11.242570
11.736926
11.520318
11.777243
9.028999
11.044913
9.570489
9.770297
12.254864
10.548788
10.069064
10.995703
11.780735
12.473018
11.976009
12.019602
11.216946
11.477749
10.913562
9.946945
9.771369
9.022995
11.878892
10.138716
10.425645
12.690491
8.745591
9.323955
12.604878
11.626383
10.040942
11.689396
11.451632
12.578122
8.274875
9.532073
11.837627
9.415221
11.040384
8.658150
12.271517
9.875170
8.720083
10.375829
12.083367
11.033861
8.473515
10.600327
9.571846
10.441654
9.005417
10.465897
9.846671
12.134794
9.866200
9.076264
10.097640
6.743310
8.102181
9.092117
9.655047
8.762386
9.853035
7.547287
6.015349
8.579042
5.649067
7.351327
7.141580
11.193429
6.868473
10.135607
6.083315
7.939297
8.341496
11.587127
8.512825
7.476166
11.386574
10.805558
7.057406
8.059950
11.113025
7.567525
7.938340
7.770227
8.352527
10.753309
8.365089
6.624154
5.983936
7.425549
7.377868
7.034600
10.439428
6.117077
8.084717
7.546350
8.742017
7.287035
8.153069
10.790521
10.592418
6.868168
6.414115
7.162105
7.298940
7.656142
10.870706
7.054272
6.939149
7.199679
9.425332
7.627272
5.044150
7.854260
6.191213
7.670595
10.208474
8.555655
9.803994
6.345197
9.261715
9.094261
9.013339
7.724290
8.161786
7.266856
9.625983
5.913675
7.693271
10.006338
9.490578
8.393442
10.274259
7.728181
8.850338
7.450120
10.506851
9.913334
8.628958
10.577679
8.267515
6.457113
7.603452
9.747148
6.184757
7.738499
7.539398
9.648946
8.072481
7.025208
9.559587
9.622089
8.042207
8.666494
8.359355
9.505753
6.749809
6.321574
6.533494
7.221137
9.429823
9.082034
9.207526
8.335917
8.071627
8.363750
7.840175
5.856838
7.051332
6.868587
7.163274
5.827418
9.472182
9.036866
6.768242
9.603900
9.591937
6.866512
9.717551
9.687399
6.711356
8.976196
8.553209
5.985015
5.898099
6.783135
9.080813
7.375927
8.921995
9.675802
6.299234
9.456801
8.775506
7.051454
8.856319
9.341685
7.156072
9.097781
6.401044
8.392804
8.284280
8.190161
8.210913
7.754845
8.431990
8.782220
7.465773
7.568804
6.537523
7.662923
7.547197
6.742241
7.281198
8.456038
8.734733
6.146641
5.997101
8.237159
7.675863
8.121921
6.795343
8.142430
8.005463
7.158757
7.270943
5.844264
6.486862
8.636952
9.173101
5.770409
9.053591
6.492477
8.410016
8.938597
9.121830
8.690176
7.766442
6.284341
6.554369
9.374767
9.704855
9.356456
7.645466
8.578356
8.628773
6.252846
8.505356
6.355998
7.982513
8.676138
6.217933
8.226905
9.560442
5.978545
8.147191
8.794916
8.403668
8.076998
7.766320
6.423750
8.656606
9.107425
9.386364
7.842494
5.759545
9.698752
6.156896
7.554277
6.353435
9.737693
9.716819
8.926878
7.268502
9.500992
7.866665
7.835292
8.975707
7.029847
8.641469
9.737083
8.872799
9.622456
7.155095
9.049318
5.782617
7.316111
9.594623
9.707907
9.035890
6.240394
6.736625
7.779504
7.515946
9.709006
7.363598
7.004212
8.039155
8.930418
7.951994
8.143284
6.445845
7.211127
9.010498
7.005188
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6.440229
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7.061708
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6.444975
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8.635594
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4.857402
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6.078021
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8.366665
8.457121
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6.560335
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8.714454
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5.910901
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8.202231
7.775094
5.013413
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7.471862
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8.033280
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5.360347
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5.697760
8.777810
7.440245
6.804605
8.153523
6.165548
8.742775
6.835368
4.923322
6.916547
7.526551
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6.427030
8.129719
5.066393
5.282464
5.096912
8.076617
6.914472
7.140309
7.280206
7.754097
7.344539
8.480560
8.695288
7.896924
7.039964
5.674078
8.318079
6.826945
5.897229
5.487671
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6.513825
6.822794
5.139760
7.703803
8.220054
8.396207
6.880047
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5.108386
6.275903
5.467284
7.143483
5.185049
5.223014
4.921613
6.385647
7.953078
5.615238
6.923872
6.369533
8.151692
6.329859
7.238334
5.531861
5.957900
7.868236
6.535920
5.125965
5.022813
5.597415
7.988113
8.349330
5.718757
4.983993
8.011185
8.652318
6.973189
8.695410
8.533540
8.100543
8.062944
7.442564
5.160390
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7.613834
5.332759
8.096637
5.363643
6.819254
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8.444670
7.659612
5.016587
8.112751
8.751808
5.116932
7.270074
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7.841502
5.542116
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7.832957
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6.163717
8.716407
6.162252
7.506531
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6.082293
6.563997
5.001694
5.942152
7.936598
6.389554
6.555696
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6.109272
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5.604129
6.759072
6.896039
5.057848
8.137532
5.919813
6.327296
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6.699255
6.902875
4.866314
8.551485
6.503937
6.470977
6.413602
5.671758
7.544862
8.717872
8.489105
6.899701
8.785241
7.085482
5.118625
6.340831
9.075777
5.389874
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8.889126
6.075198
5.386334
5.970458
5.365459
5.833247
8.105777
6.756737
6.741844
7.254555
6.113773
8.717856
7.150182
7.736259
6.110599
7.444746
8.539506
8.107852
7.740287
6.897610
7.482711
7.752617
7.987243
5.818964
8.506058
6.782373
6.532609
8.890103
6.316416
6.142827
5.448225
8.503494
5.304300
6.522843
6.599139
9.028169
6.692038
8.944304
8.134098
7.442183
7.708426
5.905515
7.436079
6.206671
7.159459
5.955565
7.908872
8.258248
5.774651
8.572344
8.974944
5.991821
7.699881
8.220771
8.658162
6.113285
7.514573
8.465651
6.129032
6.230842
5.147313
9.014130
5.584826
9.067232
9.065401
6.562517
8.840663
6.160772
6.110965
8.324046
6.006958
8.936857
6.363170
7.109043
7.627613
7.018342
5.396588
8.837855
7.654103
7.656056
8.314280
5.354717
8.630451
8.149113
5.928709
7.425703
6.464248
7.134434
7.466842
6.787011
6.158818
6.616718
8.172430
6.125736
5.880734
6.617206
8.183050
5.864986
8.739097
8.312937
9.054903
6.627461
7.649464
7.544603
8.310984
8.255074
6.660421
6.566057
6.387951
8.256905
8.114933
5.910764
6.356456
8.563799
9.022431
8.250923
8.789514
5.460311
8.018006
8.123478
6.154790
7.573534
6.281259
7.398236
7.105380
8.789636
7.792291
6.363536
7.043001
8.976287
6.297128
6.303720
7.331217
5.385113
8.361156
5.444075
7.531053
7.607837
7.881039
8.137761
9.034883
6.961943
5.434675
5.169897
6.474380
5.182470
7.841243
9.054415
5.277200
5.292459
5.306375
6.196783
5.745598
5.527573
5.530381
5.800897
8.035218
7.191931
6.150151
# Label of molecule (10)
0.823886
# Number of Instances of molecule (11)
4
10.371810
9.040136
9.605759
10.453495
12.276083
9.032349
11.405320
9.156831
10.514847
8.809701
8.649005
10.004947
9.613917
9.994394
12.540488
10.610978
11.705595
11.255630
11.660410
11.547968
11.827267
8.827242
10.869165
9.550150
9.835484
12.309650
10.513781
10.069980
11.081098
11.749949
12.330357
12.252416
12.054988
11.110882
11.433628
10.680179
9.965833
9.957797
9.094211
11.958736
10.077412
10.386279
12.596956
8.767832
9.255789
12.336934
11.668493
10.061617
11.578789
11.585184
12.479168
8.266955
9.740759
11.473425
9.403357
10.628698
8.483660
12.291010
9.452126
8.566409
10.251627
12.242538
10.643724
8.631822
10.628879
9.524272
10.262404
9.283414
10.386727
9.725051
11.428596
9.201595
7.343641
8.008234
7.017051
9.002062
8.067563
10.407507
7.861703
9.263808
9.820075
8.572128
8.387555
6.080428
6.558138
8.126177
11.392968
6.810551
8.775969
9.427775
8.582510
10.189056
8.053234
8.710767
7.812725
7.938878
8.968761
6.522684
6.994287
8.246950
6.115443
7.249671
7.735685
9.578639
8.498401
6.264975
8.162654
8.055488
10.018017
5.681409
7.295686
8.049866
6.814513
11.012164
7.652976
8.312967
8.535889
11.231724
11.063194
11.322306
6.454403
7.302150
5.532637
8.446296
5.769787
9.409344
10.404986
9.486654
6.963515
7.378891
8.151000
5.238742
9.249295
6.250961
7.860186
10.887145
7.570060
8.368382
8.211766
9.111777
9.886133
7.808984
8.556485
8.230027
7.659612
8.266590
9.140519
5.657248
8.720579
8.873232
7.718662
7.469396
6.586675
8.691302
9.294546
7.190536
7.637380
8.757077
8.665551
5.878363
6.708346
5.753506
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7.088206
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6.855439
5.893445
8.535981
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8.764260
6.405057
6.206565
7.902783
7.712104
7.320002
5.426878
6.556307
8.088214
8.243614
6.929487
7.418027
5.932752
7.225639
7.854930
8.891949
5.543458
5.550783
7.080859
7.086474
8.753761
6.378811
7.247490
5.778695
5.297601
7.751411
6.805460
6.933515
7.635929
5.842296
8.463225
8.652196
7.617252
6.323878
8.406217
7.425596
6.350734
7.725532
8.666723
7.567934
6.664953
6.660314
9.015244
6.704016
7.526551
8.793313
8.750954
8.186972
5.796396
7.426084
6.766152
5.320185
8.695288
5.575564
6.258324
8.259606
6.356716
7.418394
8.466277
6.469512
7.839671
6.977462
5.803476
5.609500
5.977798
7.926710
6.767495
7.725532
6.439848
6.387234
6.994430
5.619144
6.375027
6.590976
6.839518
8.274743
6.020646
5.286615
5.854747
8.212851
6.644200
6.762123
6.540559
7.650822
6.198019
8.360317
5.745369
6.341945
6.058245
6.360622
6.089618
7.969192
8.226279
6.104389
5.786752
7.969192
8.364467
6.235984
7.238823
7.660833
8.044511
8.936995
6.780190
5.552736
7.580752
6.026749
5.944472
6.707068
6.824015
8.806619
6.630284
9.030992
7.293023
7.519227
6.539583
7.374203
7.014817
8.301965
5.266106
6.306177
5.452269
5.506592
5.405393
6.447295
5.892468
5.261223
7.064257
7.230033
8.670751
6.149434
8.143513
6.964888
6.605380
8.881695
8.769143
7.086596
8.019242
8.833964
8.247276
5.453368
6.721107
7.328547
8.916364
5.577883
8.323939
7.532044
7.274224
6.661290
8.273644
6.845012
6.753334
5.307611
6.963424
7.660222
8.518036
5.793466
5.310053
6.360988
6.662267
5.765877
6.165181
6.439238
8.888638
7.553880
8.032167
8.764122
6.753685
8.704428
7.990295
8.791589
5.821650
8.654134
8.877529
7.616016
7.643727
6.461440
5.580920
8.508621
6.427992
5.259621
6.465102
7.327433
6.342296
5.450789
5.857540
6.723289
6.276376
7.142735
7.933042
8.777062
5.442122
7.703787
6.371105
6.939116
5.182958
6.308847
6.162725
8.151433
8.369945
5.352763
7.939268
6.021973
7.758477
8.607013
5.201025
7.930113
8.681845
5.990844
6.818751
8.935636
5.454573
8.838710
7.182775
7.368938
8.862148
5.530625
8.377270
6.974639
8.111759
5.367779
8.751427
8.485427
8.618854
8.563921
6.264901
7.500168
9.004975
6.229133
6.981719
5.542222
6.680807
8.221259
7.086825
7.172887
7.391278
6.738670
6.801904
6.032594
8.095157
5.530992
8.574297
8.689047
8.556963
6.602191
5.914548
7.163610
9.023530
8.279122
7.256996
9.013153
5.363140
6.525040
5.219214
7.841121
7.039094
5.367779
7.634938
7.113559
5.294534
8.321848
8.734458
8.154485
8.923917
8.675863
8.850063
7.196326
7.004425
6.524796
9.018769
8.360057
7.964782
6.416883
8.858364
5.439558
6.362804
7.494430
6.093142
7.366375
6.751244
8.000061
6.101566
8.228217
8.002869
8.027772
7.863338
8.718223
5.471908
8.388134
6.679342
5.887814
6.367565
5.468368
8.040834
6.080569
7.711356
7.957823
9.020966
5.919309
8.257149
7.315958
5.565294
8.223945
7.746635
7.858455
6.056520
5.733268
8.875454
8.334666
5.526109
7.507736
7.345256
8.872158
8.890469
8.884732
5.377056
7.163732
5.584704
7.865535
6.060671
5.772088
7.971618
8.806360
7.914243
6.425916
7.896176
8.288522
9.030488
5.183325
7.824778
7.978957
8.171957
5.451903
7.913282
6.581820
6.570956
8.632420
5.113758
5.458617
8.037553
5.634159
5.121326
8.590304
7.619205
7.763375
5.849010
8.737526
5.301263
8.548433
7.965285
7.183645
8.101032
5.368526
8.641453
7.467589
5.311518
6.262230
7.884838
4.984848
5.269524
6.789102
6.833903
8.331751
8.019852
7.823313
7.387875
6.264550
6.254784
7.150197
8.548555
8.153279
4.902081
7.743477
4.847026
7.800607
7.735054
7.596377
6.232810
6.504669
5.381588
5.983413
4.796609
5.237541
5.108264
7.025681
7.706854
5.817392
8.749977
7.437071
5.729255
6.946333
7.165212
5.323847
8.710181
6.991379
5.589236
4.915510
5.393063
7.382870
8.260216
6.098773
6.948531
8.503998
8.694189
5.631962
7.588443
7.948317
5.983413
6.914716
5.641240
5.019395
5.493530
5.185781
6.464629
5.347652
8.333094
5.027207
6.567171
5.498657
7.972488
5.046983
8.317347
7.449889
6.386380
6.616855
8.612522
6.808390
8.093951
5.540284
6.884808
8.646702
8.472747
7.524110
7.817087
6.829997
6.720985
6.330226
8.145100
8.711890
7.844188
5.483032
6.921186
5.069933
8.038285
6.404691
8.612888
7.161428
7.848460
7.856639
6.413114
6.768227
7.474303
7.559877
7.136402
5.111927
8.600192
6.870403
5.075304
6.508209
5.122791
5.384152
6.194113
6.640782
7.153127
6.346950
6.031632
7.325983
8.665380
7.743355
6.691931
7.645207
7.171560
7.940870
8.294153
7.319391
5.792245
8.764016
8.259850
8.201132
6.102680
4.872051
7.809885
5.757820
6.125507
6.318262
7.048509
8.423673
7.848582
7.161306
8.007767
8.691748
8.639866
7.008591
7.027024
7.825510
# Label of molecule (11)
0.813106
# Number of Instances of molecule (12)
3
10.569809
9.034074
9.616446
10.763332
12.303851
9.044223
11.259316
9.202036
10.308652
8.856236
8.650614
9.886754
9.388287
9.934448
12.628466
10.614484
11.650528
11.230361
11.566676
11.730481
11.794002
8.931458
11.114838
9.640000
9.696451
12.451909
10.454219
10.039534
10.780621
11.707081
12.227370
12.075606
12.052577
11.211284
11.598468
10.930110
9.899385
9.758557
9.079435
12.041333
9.952730
10.358568
12.478153
8.787128
9.136498
12.501034
11.458910
10.079876
11.856807
11.467527
12.331654
8.252683
9.609980
11.408580
9.010968
10.951926
8.457212
12.389151
9.387599
8.434632
10.111636
12.320607
10.916374
8.528152
10.846687
9.355219
10.432206
8.968291
10.556088
10.085831
12.145283
10.226123
9.587852
10.043756
8.625509
8.873401
10.616267
9.441828
6.863874
9.680695
7.527365
8.359022
5.989323
7.255928
8.584339
8.155726
8.230485
7.474005
9.144906
8.923591
8.294057
7.519954
9.297776
8.641694
7.582651
8.620886
9.406972
6.474092
8.313919
7.730655
7.631920
8.453640
5.726007
10.934473
8.667674
6.401941
5.251435
7.716547
7.430655
5.599283
6.741110
9.334059
8.262859
7.984749
6.765952
7.667090
10.165806
11.040015
11.457464
7.957315
8.473798
8.539720
6.416180
7.040408
6.719091
11.761781
10.398966
8.960543
5.832757
8.369479
10.447283
5.870343
6.544844
8.244194
7.624832
9.996698
9.242130
8.605845
6.746760
11.049376
9.455574
7.993563
7.382534
8.819871
6.926574
9.774614
8.160790
7.834000
9.741158
10.253796
6.752243
8.879120
6.327465
8.116234
6.566166
7.868227
8.257241
10.330818
9.478852
7.564010
7.193277
6.239211
7.516414
7.318741
8.998196
9.299581
9.287469
7.350398
8.977157
8.817118
8.608005
6.410550
8.109333
6.585604
8.363491
9.061144
6.386380
7.931715
7.607364
7.579287
9.178579
6.539949
8.741920
8.130696
8.755715
5.723395
8.853130
8.583102
7.260063
6.639439
6.538972
8.968978
6.358303
8.592257
6.103656
6.971114
8.447722
8.796243
6.995163
8.807596
8.292077
6.974776
8.359096
7.888134
7.963454
6.170431
8.585055
9.621830
5.962172
7.141041
5.720466
6.745399
9.392453
7.716376
6.626255
7.552309
8.066729
8.491424
6.749672
9.393551
7.416440
8.229820
8.389370
7.827464
7.080493
6.353664
7.327937
5.793832
6.049455
7.894482
7.706488
9.184805
9.239738
8.279626
7.015915
9.190542
8.371059
9.329585
7.081469
5.792611
8.025834
7.841990
8.913068
8.782083
5.760872
8.135701
7.298883
6.673009
9.150624
7.931471
7.016282
7.893628
6.633580
8.942854
8.533540
8.622166
7.039964
9.553591
9.080309
7.648625
8.672826
6.955977
6.959273
6.633580
8.818949
6.125141
6.975997
8.140950
6.565340
7.003342
6.859416
5.819102
5.794931
7.271905
6.551057
7.106128
7.236259
8.082354
8.235313
6.831462
8.443693
8.124714
8.988021
8.093951
8.582369
9.406369
5.915784
8.785501
8.892193
8.116657
7.664251
6.140034
5.707038
5.952406
8.166952
9.680425
6.903729
7.279962
8.511811
6.937666
8.655004
9.507447
6.800943
8.321375
7.362606
8.043168
5.875744
7.509705
7.645695
7.215262
6.786050
7.741768
9.257683
6.527009
5.874645
6.380398
5.808481
9.623539
7.355647
8.125202
6.167135
9.342769
9.258904
7.247612
7.417173
8.230430
6.617222
9.226432
6.243309
7.887768
5.770638
8.154134
9.292352
5.923719
7.325983
5.772469
7.633244
7.789499
5.320795
8.198325
7.806467
7.122364
5.408444
5.599246
8.391079
7.143361
7.362850
8.601657
7.176809
8.453337
6.900067
5.536378
5.547243
8.955428
8.572237
8.141316
9.103137
6.177633
8.091388
9.096423
6.404813
6.367824
8.957991
6.772256
5.706183
6.737342
8.268761
6.563143
7.555239
7.227958
8.579806
6.181417
9.137806
6.177633
6.698645
6.288232
6.237693
8.259362
8.281945
5.834361
8.689673
7.068407
7.111744
7.488098
7.198904
6.733680
5.927503
8.522431
7.403378
8.926374
5.687384
6.540437
9.052477
5.643071
8.133503
7.409360
6.178976
8.137043
6.538118
8.782083
6.137471
8.372036
5.504028
6.578524
7.385189
7.376278
8.694189
5.804575
5.879162
6.868450
7.366146
7.079638
5.967910
6.532624
8.587130
6.252098
5.647221
7.316462
8.002640
6.475249
8.060625
7.128468
6.035173
8.118000
9.115589
9.307733
8.387783
7.888379
9.092639
6.242698
5.727058
8.541353
6.121479
6.513581
5.421018
6.548738
7.399228
7.932203
6.206442
7.104297
8.025712
8.856792
8.661473
5.839976
5.331050
8.153645
8.356532
6.628574
6.570833
6.183370
8.561983
6.846355
5.862926
9.185415
7.383724
7.472594
8.241539
5.434812
8.204306
7.399594
8.703833
7.549623
8.303308
7.328547
8.123249
5.319452
6.532746
6.626133
5.905652
7.434141
8.922346
6.518342
7.262017
8.484832
9.088733
6.993454
8.973373
7.613956
6.325098
6.792032
5.523560
7.188894
6.245262
5.857311
7.473571
5.873302
6.857219
7.622868
5.953017
6.472686
6.941450
8.508759
7.144459
8.927839
7.609439
8.005692
6.634068
8.831889
# Label of molecule (12)
0.867191
# Number of Instances of molecule (13)
4
10.471596
9.157299
9.723745
10.546500
12.333268
9.065200
11.388653
9.269953
10.456264
8.657714
8.686224
9.917850
9.524317
9.774906
12.605599
10.599384
11.707591
11.005530
11.492145
11.661288
11.712214
8.807962
10.856150
9.700789
9.903888
12.245934
10.579550
10.115091
11.073638
11.865026
12.463796
11.967335
12.227936
11.241834
11.544664
10.700760
9.943240
9.808697
9.017141
11.729295
10.131548
10.327003
12.680796
8.677099
9.068394
12.422784
11.648290
9.986952
11.790409
11.613393
12.296192
8.281460
9.679403
11.585862
9.364930
10.615783
8.399065
12.256174
9.896685
8.294654
10.034910
12.072894
10.692862
8.940916
10.736420
9.167427
10.685390
9.507963
10.591748
9.958580
11.883634
10.336044
10.052849
9.836292
8.244043
8.579032
9.349756
11.428825
7.362533
8.316076
9.339284
6.293120
7.247405
8.213184
5.845263
7.332388
11.143129
6.711112
10.057831
8.468570
9.417465
9.982075
11.401335
8.513516
7.950956
10.196298
10.594640
8.844212
8.086300
8.221606
8.091751
7.424141
6.828206
10.908057
7.831840
7.342689
5.499531
8.169306
9.737508
6.810941
8.765095
7.473255
8.369031
8.175066
6.080079
8.366782
10.482002
7.957472
10.537579
9.768075
7.420268
7.611464
6.981827
6.320632
6.658024
8.926400
8.464700
7.475269
5.793676
6.644623
9.373340
7.929766
6.919781
6.527475
6.909456
9.684271
8.249917
10.175951
6.761405
10.161228
10.782674
6.117541
6.998509
6.643152
5.928420
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8.476845
6.382576
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7.279572
8.576237
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7.199896
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7.341731
8.471160
8.905377
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7.452330
5.501831
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7.290948
8.658177
7.003342
8.248863
6.850749
8.349208
8.857280
9.283929
7.986282
7.665960
5.756600
9.278191
8.301965
8.435514
7.760445
6.876263
5.497559
7.499939
7.468932
8.982162
5.523804
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5.355220
7.604190
8.541108
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6.255516
7.201956
6.654576
7.184256
7.409604
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5.705573
5.360103
7.798288
7.035325
6.793863
5.466918
6.189840
9.126942
5.760628
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7.124439
6.708289
6.246727
6.717200
6.764077
7.175588
6.805094
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6.487335
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8.943587
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6.981613
6.896649
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6.346583
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7.056078
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6.286035
8.332606
6.337794
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6.923139
8.084063
7.335627
8.810648
5.482421
7.967971
6.324000
8.186605
8.952376
8.936262
8.905866
8.465667
5.868786
8.445158
6.152852
7.707587
5.780404
6.320948
9.112903
7.001999
7.267266
7.084887
5.559206
6.414457
5.389401
8.114704
8.857402
5.706915
7.440977
9.017685
6.824015
8.206503
7.882153
7.589053
8.453337
8.197104
7.328303
5.731086
8.384487
8.210532
6.466338
6.709021
6.987716
6.590365
7.777535
7.116749
5.942152
5.703742
7.939161
8.929426
9.180044
9.178335
5.780770
5.971725
8.108020
4.927870
7.177816
5.034074
5.645421
5.706824
4.776620
6.483459
5.528474
6.656072
8.670049
4.938368
8.481323
8.698370
7.330775
6.933546
5.108661
5.255638
6.865673
6.170461
7.555757
5.403226
6.029344
6.417539
6.847118
8.109119
7.607395
8.433714
4.780770
6.935011
6.040452
7.289880
7.252892
6.572817
5.166524
8.464476
7.884625
6.592227
5.954024
5.086444
4.831309
5.774209
6.103442
8.703619
7.645360
6.405576
7.390469
7.946394
5.067644
7.908918
8.626347
7.468352
6.626041
5.184225
8.110340
5.532868
4.911023
5.036637
5.450224
6.624332
7.408658
8.063585
6.623844
7.456999
8.760018
5.379421
6.157765
8.757698
8.328608
5.550935
6.299738
7.197470
7.945540
5.117450
7.056841
7.846049
6.709174
6.073534
6.975661
7.524262
7.716407
5.686193
8.541261
5.431303
5.595859
6.024583
8.066271
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8.573733
7.949324
8.291620
7.990463
5.310694
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6.499207
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8.398556
6.195730
6.936354
8.463378
6.798044
8.271111
7.657811
5.000015
6.861400
4.936903
4.881237
5.866253
7.543916
5.320215
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6.511170
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6.216361
7.384487
8.313959
5.519684
6.782907
6.914747
6.290826
5.522980
8.477783
6.818186
7.231529
4.927625
6.112232
7.100787
7.139485
8.325190
5.898602
4.798227
6.852855
6.303400
8.362667
5.805826
6.720038
7.303552
7.999863
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7.812967
7.548677
7.271081
8.292840
8.269402
6.754952
7.110797
6.588076
8.049791
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8.348384
6.949660
6.922071
7.199545
5.190085
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6.331111
6.245537
5.672277
7.348109
8.145589
6.948897
8.987655
8.314539
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5.438231
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7.257134
6.155049
6.783242
6.691443
6.178243
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6.243553
7.148122
5.818247
6.205588
6.036271
7.313898
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7.596866
8.369106
9.258538
5.506836
6.712806
8.213095
6.641636
5.937147
5.544801
5.619755
9.239006
5.985000
8.104205
5.509033
6.146016
6.122944
6.653722
8.200156
7.882519
9.056139
8.276330
8.559908
7.767403
7.006027
9.152944
7.642277
8.944807
8.675634
5.927870
6.696326
5.431761
6.767861
7.534730
7.415342
7.565615
8.934919
8.857036
8.303430
8.223228
9.030992
5.601566
9.034776
8.190878
5.546022
7.757271
8.679418
9.055162
8.093341
7.013352
5.671636
7.994583
6.826456
7.515687
5.395627
6.842570
5.662236
7.332942
7.262627
5.800546
6.182272
8.008621
9.156117
6.173605
7.089526
7.574404
9.118519
8.504730
6.094012
6.399197
6.155782
6.482086
9.104968
9.249382
8.034013
6.996139
5.599857
8.934309
7.941725
8.718482
7.051317
6.913739
5.897107
5.579836
7.280572
8.240562
8.770486
7.522279
5.618412
6.214621
8.798807
8.898175
7.743843
6.122456
6.468902
8.894024
9.078112
7.437803
5.641484
6.352321
7.608585
5.858287
6.793008
5.366573
7.017380
6.553377
6.249413
6.025285
8.989242
5.997452
7.287286
8.678198
7.574160
5.764046
6.977218
6.102557
8.480193
7.657170
8.644261
7.942457
6.170553
5.551027
7.820261
7.794992
5.640385
7.319269
5.563723
5.322138
5.748177
6.221335
9.022691
5.759774
6.977340
7.127613
9.112293
9.200186
8.501923
6.954268
7.187796
8.023148
5.431761
6.684118
8.582369
8.851054
7.113941
# Label of molecule (13)
0.825274
# Number of Instances of molecule (14)
3
10.506110
8.943576
9.489482
10.656775
12.408875
8.917189
11.303205
9.305720
10.448105
8.742200
8.616851
9.942522
9.489292
9.935761
12.595084
10.728990
11.514538
11.081909
11.748846
11.739472
11.800838
8.915589
11.090839
9.720473
9.757363
12.220294
10.515763
10.149002
10.864411
11.749990
12.338898
12.222887
12.029765
11.305771
11.607057
10.882050
10.012593
9.950304
9.078205
11.910794
10.183498
10.387212
12.664446
8.744835
9.161928
12.606150
11.448757
10.014902
11.656566
11.736469
12.425251
8.395105
9.784395
11.551630
9.360957
10.710807
8.465236
12.141907
9.813980
8.445422
10.428770
11.967662
10.844768
8.681799
10.542144
9.385607
10.425984
9.334497
10.577060
10.112812
10.381723
9.482470
8.598833
7.734018
7.539041
7.438425
9.380908
11.285258
7.853621
8.609101
10.037496
8.715618
7.537951
7.123937
6.063765
6.977901
9.315253
6.660605
10.410944
6.709889
9.074597
8.830070
9.553150
5.742919
11.107081
11.163314
9.809550
6.821253
9.982381
9.664816
7.148953
6.182735
7.929735
9.115884
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6.394598
6.227719
6.890460
10.308970
7.592910
8.140164
9.049552
8.321117
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7.578090
9.282464
8.906867
10.256919
8.954791
9.456064
6.501759
6.779573
5.991014
8.074326
7.266124
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9.883266
9.421206
7.321174
7.687508
9.134725
6.634335
8.722643
5.726026
8.699479
9.033533
8.604405
10.677654
9.554838
10.579964
10.145177
6.569136
9.688699
8.245957
8.099832
6.782478
8.107365
6.081355
9.024861
10.020607
8.397543
7.403144
5.407384
9.602582
6.895427
8.096293
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7.081085
11.051095
6.250984
5.928648
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7.793555
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5.650761
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8.803079
6.562654
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6.338160
7.976516
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6.285180
6.981368
8.301965
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8.619480
6.931562
7.089770
8.316858
5.370479
6.317408
8.647191
7.770699
5.416868
6.975875
5.283685
7.780953
7.694891
7.240043
6.604404
8.535371
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6.154317
7.995071
5.314447
6.402860
7.798044
6.159200
5.233634
8.155477
7.913648
5.865978
5.976089
6.123920
5.715094
7.282891
6.394681
7.460997
5.750618
5.270867
8.854961
7.090747
8.695288
6.014542
7.195242
5.646733
7.947462
8.363124
8.180258
6.060686
6.906537
7.257988
8.319544
5.171987
5.804453
6.621006
5.930799
6.738197
4.966048
7.078661
6.318506
8.216636
5.375973
7.896435
7.944777
7.696112
5.423704
8.500580
7.468932
7.351863
6.704138
4.959700
7.527772
7.797922
7.747139
6.803018
5.133412
5.713752
6.552767
5.548341
8.563692
5.119373
6.805582
8.317713
8.619236
6.673620
8.642918
7.912549
8.123127
5.370724
6.854656
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7.537538
5.010727
5.385861
5.862316
6.572909
7.818186
7.020676
8.852397
7.663640
7.583926
7.118824
7.315485
5.186148
8.706153
6.284692
5.968642
6.295312
7.503479
6.838176
6.342677
7.250786
6.178610
7.967360
6.583529
7.112842
7.803049
8.434538
8.716041
6.679113
6.701697
7.712836
6.742714
6.538362
6.611240
6.426786
6.954512
8.117512
4.985092
4.973495
5.825816
7.594790
7.824290
5.197012
8.872173
6.555696
5.404050
5.994278
7.842601
5.265618
5.276727
5.724128
7.623966
6.435820
4.920881
6.297021
8.230186
7.354427
8.414762
7.818796
5.253044
8.861080
6.346110
7.039979
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8.053682
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6.906919
8.263894
8.821772
6.479537
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8.311258
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8.052339
7.634358
6.327311
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5.865871
5.203375
5.841456
8.384625
7.600543
8.771722
9.003906
6.968932
8.934812
6.506882
5.317148
7.606769
7.136418
5.905179
5.535783
6.046541
6.595630
6.106601
8.350200
8.554796
8.506088
6.389935
6.658010
6.703299
9.068972
7.724326
8.796869
6.901669
8.596545
6.247963
8.110813
8.543809
7.888516
7.553789
8.230323
6.648488
6.256996
8.653310
5.436537
8.867183
5.574480
8.495468
7.487014
6.732963
6.721122
5.916044
6.277017
7.027406
6.804498
5.890652
7.712973
7.139348
7.528642
8.967528
8.169897
8.291482
7.085757
8.755974
8.911618
6.507736
5.947050
8.343364
5.845607
7.199652
6.926939
8.517563
5.989776
7.243233
7.894498
6.668630
8.024506
6.424360
7.510086
7.245674
6.305338
8.125462
6.359905
6.642628
7.713340
7.129704
7.862636
5.389172
8.713614
8.417829
5.326548
6.522141
6.002472
6.831111
7.528764
9.009766
8.114109
7.477371
5.192999
7.106876
5.362804
8.754021
6.741752
8.515610
5.497818
7.863247
5.695456
6.223182
8.442366
6.694143
8.096042
8.897336
7.494339
5.947172
6.328898
8.708853
6.363079
5.376110
7.718223
7.460891
7.417432
6.021760
8.270119
7.896817
8.518296
8.313334
7.939909
7.062685
7.813562
5.910794
5.798120
6.600391
5.868679
5.166753
7.468947
8.843989
8.507675
6.077914
7.217719
5.597186
7.740196
6.605274
9.061769
8.464827
8.150365
6.236244
5.279672
7.613605
8.120090
6.663991
8.694693
7.838710
7.264840
# Label of molecule (14)
0.825862
# Number of Instances of molecule (15)
3
10.644830
8.914216
9.672836
10.664221
12.279411
9.097982
11.471224
9.342798
10.363999
8.854562
8.719013
9.922421
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9.853345
12.651377
10.701519
11.521230
10.947459
11.513326
11.798147
11.737930
8.930367
10.914603
9.737307
9.690697
12.413132
10.668231
10.014694
10.927199
11.627770
12.372223
12.021375
12.000252
11.360827
11.458321
10.802970
9.955649
9.827591
9.006329
11.957432
10.201700
10.239207
12.660719
8.737261
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12.313537
11.465737
10.036560
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11.647837
12.308060
8.459654
9.800584
11.702588
9.354666
10.751128
8.416575
12.446683
9.798461
8.501134
9.847614
12.205353
10.687760
8.809901
10.498276
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10.552499
9.270559
10.377272
10.291200
12.229535
10.373563
9.943933
9.855131
8.527631
9.079803
10.563695
11.099384
8.877951
7.663144
10.166129
8.395761
9.169317
8.063647
6.212218
6.316629
10.501451
6.111789
8.251703
8.794978
8.700315
10.717158
10.174219
6.443610
10.436191
7.931250
7.591855
9.579482
10.505906
8.977740
7.811418
6.636075
7.462886
10.828690
10.084917
6.136722
6.596173
8.268545
7.708030
8.051383
6.861703
8.557193
7.199776
10.210958
6.111224
6.406848
10.592023
8.183705
9.663813
10.800142
6.796254
8.992746
6.503885
9.181583
5.593799
9.771370
10.285035
8.784110
6.216041
6.493003
10.514716
6.041821
7.842378
7.061550
5.886218
10.478883
8.033629
9.115339
7.451088
10.261882
10.379882
7.564047
9.527485
6.722372
5.605063
7.198973
8.173865
7.815582
10.157211
8.764281
7.324270
9.520726
7.439970
11.569907
9.348412
7.969590
7.339082
9.548888
10.267224
7.995200
7.066199
7.600346
8.605416
6.835562
7.035802
9.506250
6.532380
5.759163
5.922498
8.651463
7.593936
9.066881
9.054918
8.075274
8.124470
6.880047
7.014573
5.256706
7.641911
6.251244
5.408811
8.931867
7.282647
8.852397
7.521912
5.940931
8.362026
5.271111
6.870891
7.099780
8.519379
6.175436
6.285669
8.124958
6.825846
6.217795
5.886608
8.488250
7.227103
6.559603
8.336268
9.076769
7.696478
7.885083
7.738960
7.532533
8.475677
7.784616
6.564486
8.146077
6.774819
6.378567
6.969893
9.180166
7.309137
6.059587
8.894391
8.498260
8.046953
5.225700
5.302850
6.373196
6.542512
7.882153
6.953902
6.349269
6.231101
8.984359
7.064135
9.034776
8.058672
5.397946
6.248070
7.699530
6.824015
8.352626
8.105182
8.551485
5.605106
7.260063
5.830088
8.568453
7.648259
8.778054
6.223533
5.759041
7.091235
8.988021
7.473327
6.729041
5.898938
6.567293
9.086413
6.426420
6.384548
6.827433
6.343165
8.942244
6.690710
8.495087
7.650700
8.239830
8.608371
7.109546
7.168996
5.690435
9.104480
6.913739
7.085986
7.287286
8.937849
7.110401
5.916028
5.413572
5.733894
6.362697
7.196341
8.043168
8.897443
7.410092
8.957503
8.241905
7.733589
5.677740
8.341639
8.852397
6.157613
7.752388
5.745491
7.230766
7.364193
7.600650
6.860027
6.914960
5.831919
6.404080
6.984420
9.095935
6.040666
7.887768
7.989334
6.770058
5.273186
7.014084
8.301721
6.446318
7.878613
7.920606
8.289514
8.280969
8.371303
8.973373
7.419614
5.519898
6.741005
6.814005
7.563662
6.118549
5.349239
5.273309
6.827921
5.417234
6.785440
9.026597
6.281030
8.746681
6.060686
7.866649
5.955336
8.836283
8.510834
7.469176
7.552065
9.290765
7.607120
9.071642
9.069567
6.880413
7.044969
6.362331
7.297052
7.965651
6.073748
8.687353
8.252525
6.873455
6.388333
6.333644
9.587161
8.647069
8.398160
9.344600
7.629460
8.139241
6.643223
9.061998
9.766243
6.722571
9.483154
9.473388
7.533143
6.492706
9.434324
7.238945
7.792795
7.837474
8.530610
9.273186
9.372066
6.249046
9.082995
6.755165
6.536897
6.253441
6.212058
6.446196
6.677160
8.331751
8.529389
6.183859
7.577456
6.708533
7.341609
7.433287
9.649174
9.882824
8.754250
7.766305
8.498383
9.776009
9.047227
6.146748
7.204520
7.371761
7.700385
7.894971
9.685797
8.723975
6.442167
6.205832
6.523469
7.205252
8.695410
7.098926
6.625156
9.874889
7.798288
6.670568
6.096088
7.836253
6.372585
7.528016
7.698065
8.464568
7.216239
7.276299
6.269066
9.373653
6.093402
9.936781
9.478637
8.002029
6.798746
9.168081
9.293573
6.690954
8.869488
6.168966
9.530885
7.128590
8.321497
7.134693
8.870708
6.037004
9.783822
7.142628
8.705420
5.976943
6.405545
9.343989
9.199698
9.143910
9.913221
6.333522
6.936323
8.031327
7.188894
8.575900
9.523804
8.837138
9.750008
6.759804
8.538301
9.486084
8.498871
8.957991
6.177999
8.144978
8.123981
7.466613
9.002915
8.105304
9.523072
8.199301
8.135212
6.907514
6.624302
9.510498
7.295953
7.582583
5.982192
7.324519
6.053240
7.886425
7.521058
9.443358
7.654607
9.400143
6.801675
7.909009
6.822184
6.373928
9.187490
8.297082
6.883221
8.187704
8.282922
8.812601
9.610965
7.302789
7.021531
8.068072
7.151540
6.582675
9.776254
6.414090
7.413633
9.854747
# Label of molecule (15)
0.886017
# Number of Instances of molecule (16)
4
10.384907
9.100017
9.727762
10.753070
12.463338
8.861748
11.460689
9.126275
10.549125
8.935341
8.700869
9.889789
9.468958
9.848349
12.629527
10.677544
11.626967
11.041566
11.552014
11.795178
11.908551
8.806854
11.074289
9.601316
9.821400
12.186414
10.562777
9.922939
11.018666
11.663007
12.523253
12.172982
12.000379
11.078151
11.504053
10.960137
9.992532
9.940847
9.246972
11.732690
10.163946
10.211114
12.621821
8.936710
9.220917
12.371857
11.486227
9.961250
11.816823
11.543598
12.619541
8.365629
9.620627
11.427017
9.456178
11.021217
8.230728
12.358444
9.788107
8.555552
9.904619
12.562986
10.723769
8.725488
10.737577
9.356398
10.561237
9.469700
10.422731
9.969020
10.519165
9.667806
8.301731
8.266936
6.607818
7.987156
10.378276
9.563667
6.864214
10.031167
9.750058
7.847151
8.464578
7.601333
6.658884
6.719222
9.904733
5.763797
8.261175
7.909726
9.454938
9.963052
8.090008
6.962147
10.001231
8.588196
9.969382
9.487010
8.637072
10.768557
5.654552
6.320169
7.975855
8.777544
10.577741
5.700271
6.942683
8.340939
10.275778
6.113162
8.821858
7.629966
6.961475
9.821314
6.000928
9.536879
9.057917
8.165205
7.870399
10.240949
7.954131
6.960783
5.370396
7.303900
8.082128
8.877984
7.473543
8.204321
6.153413
8.918704
10.945102
5.658087
6.708865
5.390822
8.515831
9.383764
10.127798
8.234984
7.544581
9.645315
7.196968
7.157127
7.928409
9.644684
6.732749
8.921442
6.127885
6.281082
8.352396
8.022921
8.154598
7.892347
7.167724
8.236448
8.720453
8.380861
8.094056
7.522398
7.519751
7.043314
8.756502
7.153614
9.715667
6.623115
10.020794
7.305604
6.492874
5.800470
8.464736
8.976714
8.299081
5.720756
5.493454
6.015198
7.259133
8.886502
7.397931
6.419385
5.446455
6.668905
6.280953
7.574450
8.500626
6.761803
6.210517
5.322672
8.813623
6.815394
6.606037
7.312235
7.834590
7.844478
8.929106
6.557329
5.366619
5.783868
5.554003
8.584368
5.729423
5.569262
7.693350
7.538682
8.665914
8.113773
7.252663
8.627338
6.864101
6.560259
5.490036
8.273324
5.973571
6.181341
7.356304
5.354778
8.987091
8.302377
6.387768
6.906095
8.864650
8.622944
7.030854
5.654469
7.276101
6.312815
5.270425
8.767113
7.334696
6.255318
6.437696
7.185034
6.197821
6.813929
9.072909
8.917875
7.410749
7.498642
5.717948
5.673147
6.866543
8.904324
5.514084
8.199103
8.259407
7.297952
5.477584
7.710318
5.903867
8.230476
7.332499
6.777062
6.797082
5.544969
6.770959
9.049226
5.798151
6.159856
8.019776
7.190771
5.799127
7.000092
6.585528
6.401440
8.764183
8.451674
9.055330
6.898404
5.509079
6.714438
8.826319
6.733970
6.101382
5.428877
6.640706
8.324595
6.748131
8.951201
6.800134
6.065615
7.054781
5.650685
5.934385
6.407056
5.524216
7.607898
9.200354
5.764824
7.173315
7.083712
6.785241
5.643849
7.142064
8.138554
5.590258
6.345897
8.169439
5.774224
8.967925
6.639485
7.811884
6.974822
7.389019
6.765587
5.278481
6.020203
8.916166
6.152776
7.759148
8.448622
8.354259
9.220985
6.118595
8.042604
7.958129
6.642903
7.833979
7.213111
8.568010
5.445112
9.048982
9.157628
8.050539
7.316752
5.619922
8.165654
5.919858
8.505631
9.030061
6.448927
7.012665
8.675558
7.044404
7.868892
6.858333
8.814081
5.135990
6.436934
5.362072
5.348033
5.920316
7.225898
6.524094
7.135685
7.918546
7.581500
8.264626
7.012146
5.873074
6.983825
6.822565
8.705069
7.049135
6.650075
7.240059
7.826868
8.792352
7.618122
5.712424
6.392621
6.142003
8.790643
7.682455
7.235542
8.373882
6.315958
7.550249
8.695669
5.346202
5.679342
5.875881
5.956816
6.528123
7.879971
5.949614
7.409131
5.579730
9.068972
5.603778
8.405988
5.364391
7.023865
6.141514
6.798761
8.264016
5.833888
6.258705
6.616626
6.674734
8.170263
6.832331
6.272134
6.557787
6.518479
6.451338
5.663350
6.918882
6.746635
5.564226
8.551012
8.092868
7.383374
7.119938
6.582812
7.708335
7.983367
7.574297
5.342540
5.206793
5.952177
6.139927
6.796197
5.791040
7.209296
6.153233
8.512192
8.678701
6.058748
8.433088
6.030549
6.535203
7.649617
6.506149
6.754570
8.962401
8.393902
7.576739
5.741234
8.914426
7.722495
9.110721
7.765831
8.921628
6.551805
6.913633
6.033479
5.991119
5.835597
8.576525
5.915555
8.064302
8.578112
8.161107
8.084078
8.902097
6.683279
8.005463
7.418653
6.276528
8.015229
7.519852
6.063631
6.341594
9.043580
8.850337
9.006958
7.057558
8.450667
7.284249
8.558336
7.546953
7.074526
8.274148
6.100986
8.253395
5.562639
6.951476
5.491470
8.781854
9.111820
8.010102
6.482711
8.291726
6.668020
5.830226
8.546129
7.321482
5.964751
6.720267
5.466445
7.916349
7.768639
5.150884
9.086062
6.936583
8.714347
7.855678
6.571093
7.420972
8.098117
5.674581
5.578143
6.877987
8.008759
7.014710
7.692221
7.384228
6.168737
8.802606
8.514512
6.753487
8.723151
8.853648
5.268700
5.135151
6.783273
8.498047
6.896802
7.145222
8.928480
5.280663
8.709235
6.782785
7.792459
7.987777
8.348872
7.338343
5.313868
5.454009
8.070055
6.672918
6.589541
5.793741
7.055986
7.117267
8.999893
8.434690
5.447783
5.861003
8.984756
7.832499
5.459136
7.711035
6.841746
5.740150
8.952162
8.089831
7.922590
6.906323
8.848643
8.153066
8.603519
7.078936
5.752724
5.897992
5.403592
8.188345
7.160115
5.140034
7.628025
5.584750
8.626347
6.230399
7.906842
6.206473
6.272881
8.392087
7.010208
6.551210
8.003281
7.546846
7.310511
5.328394
8.805551
7.511078
7.267907
7.665746
5.514801
8.431761
7.315027
7.745094
8.413327
6.340999
7.514374
6.744087
9.039689
7.703101
7.364589
8.955947
5.585116
8.826914
8.129994
8.965102
5.250755
8.022446
8.068590
8.752449
8.940199
8.373898
6.933790
5.604404
5.662877
7.004105
6.123951
5.703284
6.024705
8.707404
8.856212
8.269890
6.178396
7.823954
6.737129
7.138386
7.609592
8.231681
5.109516
6.634342
8.135121
5.329615
5.545198
6.633122
5.486114
7.889874
5.861736
5.671789
8.852672
7.649510
8.038804
8.992935
7.763894
6.522645
6.406430
6.390316
5.679357
5.301904
6.482971
6.737373
7.666967
7.728614
6.835765
6.067309
5.539583
7.804788
6.340022
8.085192
5.830973
6.222343
5.212180
5.983444
7.979843
7.784890
6.190725
8.437864
6.100513
5.695105
8.240471
6.657292
5.716102
8.587283
7.156209
5.364406
8.825205
8.173452
7.438688
6.579653
6.680975
7.384854
7.820048
5.085833
5.656529
6.878491
8.811533
8.447752
5.569979
5.787027
8.650395
# Label of molecule (16)
0.824878
# Number of Instances of molecule (17)
5
10.438173
8.889731
9.471825
10.534549
12.530379
8.903416
11.264075
9.214194
10.429944
8.747470
8.723968
10.032235
9.463827
9.861329
12.540816
10.491704
11.510959
10.963524
11.665387
11.774193
11.802864
8.829614
11.150966
9.688690
9.799347
12.240629
10.496070
10.016591
10.964111
11.546952
12.292896
12.224716
12.154042
11.115423
11.636694
10.852919
9.912613
9.768991
9.256580
11.783250
10.126078
10.401833
12.731564
8.760516
9.111570
12.516049
11.350074
9.925828
11.601133
11.492826
12.472984
8.437572
9.654545
11.615866
9.450002
10.759932
8.119935
12.081580
9.404702
8.224523
10.096492
12.526210
11.016670
8.466080
10.488942
9.429536
10.228778
9.059612
9.997064
10.162284
12.362508
10.342595
9.778050
9.558498
8.504200
7.032064
8.203106
10.227793
7.679405
8.354748
10.507462
8.516574
6.336591
6.428495
6.884029
8.522617
11.015719
5.478546
7.487422
8.557874
7.909341
8.125175
8.143607
6.358454
7.572108
8.195433
8.014960
9.417264
8.118256
10.630909
8.121635
8.244838
5.583532
11.205239
10.353532
7.038114
7.929603
7.752844
7.420326
8.316034
10.030725
9.811109
5.839645
11.607833
7.061528
6.995666
9.400472
11.128270
8.974642
8.526706
8.730989
8.598692
7.603781
9.216301
7.504561
10.672419
10.274110
8.719872
6.884563
6.260513
8.701100
6.613194
7.901472
8.255835
8.499586
7.958279
7.995357
8.683134
9.702028
10.420749
7.171258
7.125556
6.556711
8.344766
5.411805
9.156508
7.865370
6.935710
8.698317
7.370466
8.463486
7.620894
6.628995
7.961915
6.581447
9.619129
8.046324
7.259387
10.210903
7.184579
6.745734
8.159888
7.315613
6.128681
8.604085
6.687579
6.643757
5.939634
6.498733
8.565813
6.124454
8.989166
7.914670
6.571978
6.183538
6.954680
5.733451
8.445814
7.803339
5.672658
5.879330
5.682546
5.628224
6.987396
7.416974
7.042573
8.037233
5.824519
7.837886
6.042055
7.987915
5.570238
7.558702
6.437941
7.010712
6.629109
7.003754
7.577868
8.726463
5.036409
7.650136
5.494552
8.260872
8.001465
6.408032
7.615345
5.934629
7.253639
6.711753
8.965361
7.599963
5.070467
7.697012
7.736930
8.001831
5.858455
6.839320
8.102420
7.536973
8.164312
5.428144
8.142216
6.786950
5.991028
8.251717
8.767113
5.199255
6.293649
6.867763
5.506272
8.291757
7.529283
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6.460219
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7.326334
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7.690359
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6.112064
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5.845454
6.348155
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8.681356
5.790643
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6.165288
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6.636982
5.231666
7.737358
5.658925
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7.152135
6.212287
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5.829829
7.084994
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8.512406
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7.602344
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6.131230
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6.172857
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6.564714
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6.871853
6.060183
7.214637
8.655965
5.934080
8.539995
# Label of molecule (17)
0.801265
# Number of Instances of molecule (18)
4
10.664702
8.942207
9.575052
10.524365
12.576049
9.128665
11.367278
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6.748100
8.252052
7.538896
5.933378
6.327311
7.674276
6.976745
6.379315
7.662557
5.883328
5.650288
5.884060
6.567919
7.874966
7.831263
7.855312
8.351176
5.836329
7.041688
7.591632
8.489608
8.216041
8.915281
5.364879
6.769341
8.035493
7.456130
7.930876
8.259255
8.318705
7.072329
7.345164
6.495285
8.513535
8.755852
7.959441
6.252358
# Label of molecule (18)
0.858299
# Number of Instances of molecule (19)
3
10.663148
9.031108
9.519971
10.546344
12.323596
9.119692
11.412245
9.301023
10.279221
8.867693
8.690535
10.081728
9.353235
9.753278
12.549711
10.546112
11.586960
11.204460
11.499813
11.731166
11.962271
8.787176
11.029170
9.649851
9.755359
12.413660
10.487669
10.131468
11.027117
11.603461
12.456118
12.067826
12.132971
11.265663
11.593678
10.801858
9.997745
9.678030
9.043370
11.989807
10.176340
10.275090
12.522472
8.816118
9.266616
12.484247
11.578925
9.903177
11.607383
11.702573
12.585089
8.410475
9.743038
11.496433
9.366557
10.835208
8.427726
12.488876
9.760700
8.621751
10.442761
11.939424
10.432457
8.636226
10.858747
9.480718
10.219484
9.365666
10.090273
10.272022
12.145155
9.898316
9.908919
7.881158
8.121630
7.185719
7.799380
9.781150
7.490218
8.195578
9.294026
7.226648
6.704059
8.709605
5.809333
8.260206
7.939956
5.525996
8.747890
8.369310
9.981020
9.316138
11.259647
8.222424
8.601112
9.760432
9.329709
8.738650
8.092242
10.438388
7.844483
7.055983
7.560294
9.202798
7.431606
6.925036
7.988345
6.617276
8.681395
6.740701
10.006041
7.735990
7.623584
8.473022
7.114295
7.945271
9.800903
8.179581
11.452353
10.457172
7.606374
8.110053
7.672781
6.510152
8.196159
8.759498
9.649718
9.274472
7.647570
7.148299
7.337071
7.307373
6.871826
7.511728
6.022419
10.319359
7.878334
10.125318
9.520879
11.087063
10.392565
7.454579
7.691474
7.857392
6.218402
10.015384
9.213762
6.459704
10.034483
8.885803
7.676278
8.211963
6.161680
10.362808
9.239814
8.553452
9.470857
8.624739
9.690169
7.698757
8.285176
6.057973
7.024305
8.481970
8.277872
8.389026
8.763573
5.610034
6.791345
8.524918
7.611072
8.589129
5.449385
7.027070
7.737419
8.227668
6.288644
8.924955
6.215644
7.779046
7.428205
6.569536
7.531724
7.958983
8.829615
5.709403
7.480453
6.859706
5.126133
5.165319
6.022523
8.605853
7.351543
6.435621
6.477737
6.627033
5.940489
6.105777
8.427870
5.423261
5.379559
5.937803
7.707144
6.696982
6.879727
5.514084
6.852992
7.728019
5.448286
8.311533
5.392132
5.864437
5.734672
6.079165
5.338908
9.008087
7.023164
8.397473
5.277749
5.963195
5.750786
6.290109
6.408399
8.532365
5.922544
8.767113
7.926267
7.224708
5.800104
5.170934
7.113132
8.459975
7.239967
8.205451
5.514939
7.137669
8.053102
6.514725
8.580218
6.449538
7.765618
5.696707
8.133061
6.807947
7.150121
6.617634
7.059297
7.768426
7.908322
7.908322
7.577502
8.817042
8.874050
5.513962
6.469924
8.902249
9.117466
8.174810
6.651326
6.581988
6.321116
5.710013
8.447523
8.664571
8.804834
8.982818
5.959655
5.214881
5.574023
6.418653
7.890744
6.805383
8.766625
7.954955
8.206549
5.881771
8.872951
5.293619
6.008362
6.121891
9.104892
7.334819
7.991943
5.662282
7.287576
7.664052
8.866237
6.066225
7.650014
6.970672
7.109104
8.909207
6.889004
7.268777
7.433821
7.856197
8.881985
8.800317
7.340800
6.107242
8.422010
6.490432
7.131321
7.083834
6.352855
8.835108
8.756249
8.233406
8.476211
8.090335
6.876431
5.825251
6.608112
8.644551
5.508347
8.615253
6.158513
6.442457
7.631458
8.249886
6.608966
6.340892
7.130589
8.290902
7.264748
6.268014
6.449904
7.729362
8.653951
7.063082
5.333171
8.868557
8.183554
5.607791
8.960677
9.120960
6.460845
9.045274
8.068194
6.026261
5.888928
8.670629
6.948164
8.840556
8.649266
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7.188894
8.586520
8.334925
7.713813
5.618412
6.507233
6.081683
8.847392
7.743965
8.163900
7.408994
6.013443
7.838328
6.211447
9.146718
6.587313
8.052080
8.731300
7.824168
8.095538
6.921430
7.991897
6.893841
8.895001
5.652226
6.514679
6.166280
7.844554
6.550081
7.320246
6.831584
6.843791
7.975661
9.228019
7.440733
8.113483
6.197165
6.086200
8.223716
8.093341
8.517304
6.807047
7.118580
7.832713
8.047929
7.080859
8.886090
5.747444
8.508148
5.644658
6.684851
8.619968
5.421506
7.981765
5.483764
6.714759
8.086505
6.324122
6.684118
8.889019
8.694189
6.836833
7.327937
7.566958
6.970870
8.854350
9.268059
5.459471
8.719092
7.049242
7.672552
5.898816
6.630772
5.403562
6.241966
6.666417
5.750008
5.861339
8.511200
7.187674
5.959120
8.534639
8.612278
8.969100
7.862499
6.339503
6.874187
7.152272
6.444243
6.938032
5.632450
9.060656
6.875164
8.857768
6.625523
5.612552
6.841472
8.667699
5.350948
7.477599
7.773019
6.082781
7.759224
7.848949
7.344905
7.874340
8.656957
7.709052
7.627628
5.458373
9.196768
5.461547
7.259697
7.040574
8.828104
6.806192
8.020341
7.189261
9.083728
8.729957
8.173788
6.714515
8.577242
5.491455
8.963607
5.725837
6.586581
6.471953
6.629429
6.745033
6.598788
5.768197
8.322718
6.748573
9.189932
5.403439
8.295618
7.015183
5.616337
8.029862
6.738075
7.652165
5.492676
8.998032
7.639348
7.677435
5.928968
7.669256
6.046648
5.530030
7.505799
7.845164
# Label of molecule (19)
0.832725
# Number of Instances of molecule (20)
5
10.521079
8.883407
9.505040
10.671172
12.585992
9.112322
11.448852
9.243571
10.388035
8.906203
8.601392
10.059449
9.423518
9.853872
12.477991
10.571563
11.515996
11.162114
11.477939
11.856230
11.807894
8.956772
11.124477
9.738290
9.649283
12.189856
10.543316
10.044616
10.965329
11.871514
12.509625
12.232847
12.055958
11.013057
11.457736
10.834082
9.807312
9.656162
9.211420
11.525096
9.774271
10.495208
12.809888
8.967206
9.242547
12.409578
11.514789
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11.823492
11.284104
12.758265
8.499521
9.652197
11.336594
9.488672
10.993256
8.292385
12.245699
9.339081
8.715058
10.396400
12.504725
10.967258
8.668658
10.947816
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10.273984
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10.034520
10.253236
11.836104
9.806034
9.606116
7.989470
5.956856
6.413624
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10.580417
8.754985
9.052609
10.849716
8.476567
7.986523
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7.109173
5.829828
8.252550
6.498981
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6.730426
9.399289
9.625071
10.519965
7.433814
9.432257
11.394564
8.426417
6.464876
7.060106
10.088688
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10.926930
6.547424
8.103625
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6.248926
6.988603
10.046403
7.130198
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7.720819
9.048885
10.315939
11.040840
8.466857
7.967271
7.319133
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7.408520
7.935774
5.543009
10.889927
7.280796
9.415156
7.873444
7.578274
10.405297
7.704168
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5.428248
5.741400
8.707381
9.185549
11.736684
7.012594
10.974697
8.749403
6.988334
9.271115
8.752383
6.461015
7.786585
6.003465
7.306960
8.615615
9.172788
7.229615
8.370923
7.244618
9.393477
9.618822
10.383001
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10.072247
10.285921
7.115795
5.838756
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7.994693
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6.158856
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6.339869
6.412748
8.059771
5.443480
6.379177
7.848827
6.556185
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4.918073
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8.612033
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4.915876
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7.638615
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6.192404
5.678472
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5.511841
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6.219993
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6.609531
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9.021851
8.244850
7.723350
5.647847
5.971709
8.035615
6.147862
8.838496
5.149663
9.068972
9.022950
7.749718
7.883389
7.825282
6.777764
5.203742
6.551805
5.412244
7.919889
8.122654
7.229682
8.015717
7.408521
6.599780
5.760765
7.185980
9.146977
7.745323
6.136876
7.335398
6.465865
6.679617
8.055269
5.822169
6.475021
7.050722
8.531968
8.994507
6.156163
5.449232
8.443831
5.570940
6.073275
8.098361
8.876095
8.732047
5.575945
6.189734
8.149266
8.297098
5.368175
6.245888
8.400006
8.362896
5.321177
5.878567
6.593066
7.777062
7.402661
7.321726
6.837214
6.824152
7.597125
7.112369
8.880367
5.495621
6.695853
6.295694
5.659810
8.722770
7.826624
7.527787
8.783074
7.943327
6.602344
7.451979
6.811335
6.381512
5.760643
6.724174
7.225166
5.412366
8.171728
6.060579
6.942198
7.387036
8.087130
6.685110
6.267006
8.294656
6.507370
7.549150
7.143864
7.635212
6.540208
5.700217
6.589648
8.877682
6.626759
8.174780
6.182653
5.879421
7.509964
5.787500
8.478988
8.642079
6.819758
5.196417
5.234993
7.776818
5.151372
5.614399
8.309915
7.057924
5.509049
8.546007
8.121189
7.434889
5.994171
6.920469
6.531663
7.882290
7.608844
6.000763
9.039918
6.459029
9.052126
6.438643
7.151189
6.955382
6.384075
5.855129
# Label of molecule (20)
0.780445
# Number of Instances of molecule (21)
4
10.658390
8.908581
9.730388
10.472659
12.256013
8.901778
11.332979
9.368400
10.358921
8.819339
8.493183
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9.475646
9.951099
12.669331
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11.649701
11.028315
11.590488
11.874269
11.566808
8.834871
10.917195
9.343339
9.643485
12.189806
10.337418
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10.588763
11.323746
12.149623
12.281087
12.285140
11.429985
11.778785
10.536651
9.893048
9.921956
9.146708
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10.272662
9.950353
12.353232
8.935244
9.110240
12.296916
11.156191
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11.970761
11.694288
12.308715
8.511747
9.488107
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9.130352
9.507880
7.959177
11.084876
9.282529
7.341790
8.928023
12.291517
9.475129
6.845116
8.435882
9.048723
10.153449
7.613180
8.213689
8.125105
10.734688
9.087325
7.863779
8.013714
7.563281
6.740901
9.027974
11.549649
7.079092
8.450772
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6.894511
5.882000
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6.615405
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10.159552
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7.406243
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9.998124
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6.371689
5.270600
8.796111
10.436400
7.091703
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9.607566
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6.552305
6.658017
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9.801507
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11.508056
8.771298
8.942049
7.549288
7.551774
7.218199
11.169231
9.368680
8.072766
5.620337
7.682974
9.121424
7.557214
8.571989
7.697418
6.243510
7.847635
7.852084
9.428386
7.313873
9.664217
10.519745
7.735833
9.556797
9.254074
5.701597
8.449005
8.390425
7.315497
7.482458
7.167402
7.890407
8.212415
5.586960
10.142819
8.815503
10.206872
9.117728
10.427408
7.444849
6.465119
8.013889
5.920016
7.589943
8.630200
8.750326
8.068746
9.183096
9.223991
6.379299
9.278314
5.921033
7.909253
6.159932
8.059648
6.342311
8.992050
7.441954
8.927229
7.046190
7.391171
5.859020
5.973159
7.278497
7.133961
8.846294
8.314905
8.637425
6.406156
6.371731
9.125111
5.675176
6.531648
6.004410
7.280206
7.775704
5.757454
7.693182
5.500488
6.678503
8.718360
7.631046
6.857097
6.027848
8.454924
6.581332
5.521729
7.318903
7.863598
8.039262
5.633427
8.618503
5.448973
5.604373
8.157430
6.433012
8.257897
8.938948
7.611026
9.101672
8.866070
7.687445
6.531892
8.085650
9.296381
6.732215
5.563967
7.533021
8.741188
8.159383
9.034776
6.490875
5.963637
9.311396
7.899609
6.141377
9.254509
8.299890
7.929762
8.435392
8.818094
6.355129
9.016099
6.501007
8.463836
6.385891
7.465148
9.199087
7.476012
9.125721
7.163137
8.203085
5.540040
6.239158
7.481872
5.977187
5.596438
7.765816
5.800913
9.027818
7.501404
7.272637
6.523713
8.802957
7.365291
6.095111
6.459258
6.616123
7.447447
8.037309
8.446867
8.968245
7.479308
5.907849
9.097400
5.641850
6.293481
7.269097
8.528047
8.946394
8.631321
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7.962722
6.483551
6.005631
6.436430
7.075488
5.813852
6.493683
7.311335
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6.334132
5.785897
6.537141
8.171957
6.203513
6.032243
6.465117
8.181600
9.048570
5.890149
8.110920
6.568514
6.346461
7.591372
5.774789
7.364559
5.671758
6.694372
7.852977
9.420408
6.441313
8.606174
8.875713
8.860088
8.714820
8.063189
8.288293
8.434660
5.924329
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5.849010
6.147603
6.410062
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8.136799
6.766396
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4.957015
5.238884
6.681188
5.301996
5.986465
7.757881
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5.329829
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6.401273
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6.667760
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5.402829
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5.323237
6.274316
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6.347804
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6.261010
5.912854
5.568361
5.850352
8.563692
8.481170
7.867992
5.932020
6.040422
7.214652
5.894910
5.042467
5.436277
7.077563
7.378842
8.165609
4.951033
8.025101
6.626133
8.179525
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6.207785
5.070666
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5.938002
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6.682165
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6.492462
5.719001
6.817057
5.708258
9.024277
9