# Number of Dimensions
166
# Number of Examples
92
# Number of Instances of molecule (0)
5
10.597260
9.096312
9.686261
10.688970
12.522619
9.078566
11.433348
9.321319
10.512459
8.869815
8.688699
10.045784
9.546868
9.950010
12.681654
10.692763
11.714979
11.185854
11.721481
11.779595
11.969246
8.990650
11.092654
9.713083
9.856133
12.387561
10.623405
10.096989
11.009614
11.802624
12.451229
12.177726
12.162689
11.310346
11.682738
10.899211
10.044023
9.894876
9.205090
11.986856
10.162419
10.373744
12.662689
8.877537
9.260089
12.570709
11.589809
10.131939
11.779053
11.680435
12.563529
8.440934
9.731099
11.676236
9.394876
10.933212
8.508938
12.560007
9.732860
8.579786
10.277699
12.377943
10.856404
8.843806
10.845431
9.435109
10.517336
9.367106
10.433483
10.118799
12.191408
10.211457
9.906391
10.011782
8.507854
9.029122
10.634919
11.408287
8.747220
10.095499
11.749387
9.403004
9.837981
9.337168
9.638442
9.668108
12.254399
8.479000
11.206580
10.085610
11.318203
11.568135
12.478999
9.351799
12.038197
12.609587
11.772551
10.231641
11.308449
11.908964
9.020994
9.558653
8.916957
12.152258
11.646298
9.239498
8.937548
9.623947
11.879839
9.288130
10.815765
11.492681
9.193169
12.709966
9.426169
10.227713
11.668785
12.137764
12.288129
12.657812
10.071387
10.234757
8.880653
10.347870
9.371983
12.693169
11.214031
10.998371
9.390000
10.335407
11.822809
8.666077
10.430910
8.993630
9.407068
12.510969
11.041855
12.702651
10.434838
11.866022
11.619612
10.006228
10.446488
10.655104
8.751690
10.953938
9.857352
8.952584
11.776480
11.472226
10.296664
11.443779
8.739363
12.590080
10.763475
11.602137
10.886477
11.147653
11.785962
9.150363
8.962676
11.381573
8.047487
11.209204
8.930692
8.616474
7.762276
8.709204
8.435514
8.806375
5.191153
7.168630
7.444639
6.245628
6.166768
8.910627
8.069903
7.054369
8.725196
6.278710
5.676397
5.317988
6.922040
8.034745
8.124958
6.977706
9.094592
6.082171
7.949904
7.611759
5.426145
8.401822
7.531922
6.367946
7.693182
7.572085
7.135670
8.417325
6.064592
8.251427
7.690741
6.307276
5.832286
6.996017
6.189840
8.588961
8.945540
7.789132
7.578799
6.090472
7.225028
6.654698
7.013596
8.217002
8.133015
8.734230
6.360378
7.646184
7.970779
7.197562
6.811930
5.799326
5.382687
7.365780
5.496338
5.459593
6.039445
5.419797
5.953627
6.913862
7.375301
9.069811
6.353420
5.993667
6.255882
5.560060
7.330622
6.389187
6.450835
8.386074
7.313166
8.611545
8.784646
8.096271
7.216605
7.977981
8.843974
6.555086
8.381680
7.997635
5.113392
8.043046
5.627567
5.527711
6.417142
6.565096
7.299249
6.080584
5.538575
6.748573
8.180258
5.652959
7.896313
5.698492
7.149098
5.454222
6.148579
5.191519
7.451842
7.907544
5.603885
5.579226
7.467223
8.300012
7.309015
6.777871
7.839427
6.455718
5.694220
7.719184
6.851726
8.808329
7.646550
5.637089
5.919202
5.244865
5.887707
6.565340
9.072130
7.101001
5.533326
8.420621
6.306299
6.676672
8.704810
8.046953
8.678198
8.652928
8.071978
5.596805
9.013413
5.779427
6.200461
5.621586
8.110553
5.213492
7.578677
8.249474
8.310511
5.879650
8.199057
5.822886
6.308741
5.229484
5.569094
6.373684
7.084521
7.774361
6.027970
7.306940
6.821818
5.765877
8.241661
8.673193
6.698401
8.402066
7.752998
5.399045
5.416379
5.928358
5.462157
7.856761
8.652715
5.882366
4.928358
5.526154
4.989883
7.177206
5.674841
8.595706
6.488708
5.579379
6.907056
6.529115
7.496429
5.762246
6.136891
8.055284
5.687414
7.846538
8.171621
5.436796
6.497253
6.859691
5.338649
5.362087
7.609226
6.155324
7.455535
5.736000
6.372494
6.168630
7.413907
6.743599
7.024003
7.882061
6.257988
6.562929
6.590762
8.378292
7.629002
6.100391
8.345820
7.852886
5.452177
5.125629
5.694861
5.464019
6.741646
6.178640
5.367092
7.391934
5.395535
8.626347
8.785775
8.485229
4.860973
5.241478
8.493286
6.867626
5.538606
7.681982
6.506531
4.881115
6.806589
5.240867
7.476653
7.739723
7.534639
7.247520
5.527497
5.268700
6.967483
5.489898
5.651036
8.106189
5.848552
7.037065
6.529969
7.738746
5.662145
5.834025
5.666540
7.749977
5.867107
7.445647
5.690954
7.653050
4.997818
7.323450
6.723334
6.685980
5.507721
4.971450
7.667333
4.941420
8.229484
6.384945
5.306177
5.208151
8.327754
5.137837
6.080493
4.898328
6.619205
6.493591
7.419156
5.435820
8.134266
4.914441
7.500580
8.479980
5.796182
7.344447
8.319330
6.360897
5.092914
8.640019
6.930616
8.100818
7.615452
7.524995
7.751808
8.395016
5.338160
5.443388
6.791330
4.930677
7.517548
8.686407
8.684088
7.415616
8.081774
8.166372
7.405118
7.692114
7.387906
5.215842
7.539644
6.313654
8.222159
5.784341
4.980728
4.956191
7.915998
7.408292
7.933576
8.040391
6.454894
5.329493
5.097552
6.940504
8.454955
6.137867
5.905560
6.153493
6.880688
7.311609
7.690039
8.804941
6.380917
7.030839
6.655583
4.864635
6.115772
6.640568
7.531587
7.449675
8.636738
8.445936
5.759941
6.907437
6.078921
7.670522
6.528397
6.957976
7.852168
4.838038
5.069002
4.868557
7.519150
6.518876
4.991852
7.688833
8.246467
5.355266
7.720206
7.024384
4.909207
5.754570
8.263802
8.538713
5.001495
7.292947
5.483688
5.102695
7.224342
7.205176
4.725242
5.968688
6.631062
5.335124
8.692038
8.341441
5.200354
4.922636
6.437208
7.723258
4.714743
8.600848
8.348766
5.408734
4.818995
6.979705
4.998810
5.500778
7.132542
7.190649
5.738456
7.826655
8.292001
6.766930
6.907315
5.126499
6.798669
8.234504
5.536058
6.891568
6.545244
7.789911
8.417127
6.223945
5.896908
5.437666
8.415540
8.096805
7.203467
5.965392
5.899228
7.386578
7.614246
6.128117
7.159886
7.054415
6.074526
5.419355
5.701346
4.850246
7.375469
7.803217
6.270577
6.916837
6.133854
7.782342
5.505905
8.664937
7.577502
8.176641
5.076571
5.298990
8.008667
6.987640
7.190527
8.365856
7.823847
4.724998
8.343883
6.700156
7.962157
5.567553
5.186926
8.146367
6.658895
7.735710
8.384655
8.425672
7.378521
8.450331
6.340648
7.529405
6.802454
6.852138
6.667074
8.008789
5.746635
6.257027
5.269570
7.539293
7.883908
7.122166
6.924650
8.132817
5.144932
8.098636
7.224586
6.373730
6.676473
6.544145
7.764885
7.052828
6.225532
7.872555
6.447829
8.575579
4.832057
7.113865
6.779504
6.517533
7.698599
8.059938
8.032838
7.704825
8.115604
7.371685
8.153569
5.191198
5.316691
5.021882
5.283242
6.510453
5.138585
8.449232
5.774468
5.575488
6.359569
7.797357
8.572893
6.602252
5.594409
5.616382
5.841731
6.431227
7.617786
6.398877
6.127583
5.463134
5.111805
8.835673
5.012803
5.745491
5.904431
8.054033
7.027268
7.906079
7.965773
7.063524
6.040910
8.418424
6.642125
6.849406
5.772835
7.045824
8.330653
6.319849
7.067797
8.269005
5.299066
7.916089
8.727638
8.173788
5.747932
8.621799
8.772927
8.175497
4.988998
8.746071
7.008225
6.953780
5.617801
4.854350
7.768624
7.974197
8.551241
7.223441
7.719184
5.969131
6.808878
8.193808
7.585269
5.756844
7.910596
5.796518
8.687231
8.769509
8.767190
5.028184
5.154408
8.667943
4.936872
5.149281
8.695288
7.417539
6.125874
7.380551
8.794534
5.200186
7.804147
7.373470
5.217643
7.536317
6.814615
6.829264
7.693915
6.993210
6.849651
8.640355
7.653752
6.855388
5.668584
5.931288
4.896344
8.128864
5.933973
5.372555
6.062517
7.258354
5.538453
7.143361
5.785165
5.928968
5.299921
5.916517
7.397153
8.329676
5.898938
7.243950
6.066912
7.252129
7.932203
7.713446
7.239311
6.401028
6.959029
5.255242
7.256401
8.290124
5.415769
7.971633
5.032945
7.098804
5.270745
7.864940
7.661077
7.865307
7.297296
7.838572
6.819987
7.390439
4.838847
8.347865
4.865093
6.227195
5.942152
6.072405
7.473083
7.131764
7.730293
6.988571
5.714118
5.349605
4.895489
6.214255
8.431486
6.113544
8.182943
5.002548
7.799020
6.727088
6.741127
5.259392
6.934126
6.608676
6.215842
7.958449
8.440764
6.672277
8.460295
7.830027
8.755348
5.418455
8.738014
6.699377
5.174673
5.112293
8.292077
5.846324
8.437590
7.420469
6.157857
7.765816
7.735176
7.886303
8.091998
7.699042
5.027573
8.614353
8.493133
5.316401
5.539186
6.541536
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
4
10.368895
9.153583
9.628942
10.618117
12.358293
8.937452
11.218672
9.266249
10.576155
8.771458
8.629743
9.848378
9.419423
9.808099
12.676082
10.621203
11.512748
11.037009
11.779039
11.675544
11.724101
8.776977
11.126479
9.686578
9.747858
12.388386
10.462166
9.960044
11.044929
11.868405
12.277260
12.246942
11.974881
11.299504
11.634124
10.666690
9.936025
9.923575
8.987141
11.820029
10.218607
10.357921
12.558113
8.793276
9.120103
12.621992
11.483794
10.002674
11.614142
11.634047
12.642135
8.475739
9.660489
11.476105
9.175387
10.936463
8.451683
12.560547
9.529878
8.436688
10.250905
12.155303
10.765927
8.711539
10.791374
9.474748
10.306417
9.233937
10.322318
9.989122
12.264668
9.985380
9.736151
9.930853
8.298588
8.842259
10.664154
11.223667
8.676434
10.160276
11.578082
9.202686
9.713880
9.237173
9.570838
9.712926
12.067722
8.416259
11.116712
10.058537
11.322199
11.444747
12.526283
9.257163
11.851719
12.418098
11.786113
10.132759
11.097363
11.756127
8.896511
9.564707
9.069987
12.005685
11.359428
9.043889
8.672330
9.481152
11.936849
9.434031
10.677539
11.471944
9.261516
12.307321
9.224942
9.889983
11.593573
11.650416
12.447120
12.162035
9.848794
9.866704
8.558747
10.428216
9.012287
12.833177
10.755560
11.121127
9.353474
10.121004
11.509891
8.459571
10.313407
8.902052
9.524550
12.114841
11.183785
12.897988
10.442250
11.566870
11.474957
9.863656
10.321208
9.272280
8.620329
9.163260
9.422614
7.853105
11.715053
10.955274
8.871672
8.628215
7.349176
11.949554
9.084206
11.626616
9.500616
8.462330
9.604517
7.169057
6.070136
8.022733
8.568651
8.756019
6.634945
9.182319
9.099033
9.113315
7.651723
7.077609
9.066317
6.792077
8.850978
8.235603
7.316752
7.908811
6.117374
8.187384
7.897946
8.948881
8.904202
7.688589
8.364147
8.079226
8.350597
7.860591
5.172277
8.562273
7.611682
5.366131
8.039308
6.910978
9.086093
5.514084
8.634053
7.662587
6.917570
6.169378
6.981780
8.643208
7.145482
7.341655
8.954131
6.600177
7.877071
7.330424
6.219062
7.076998
5.860164
8.297983
8.028321
8.404431
5.827937
8.147832
8.213996
7.684927
6.992645
5.583178
8.773217
6.643269
7.062716
7.219947
7.411237
5.220130
6.158147
7.628162
6.423048
8.782617
6.999969
7.180273
6.283883
8.826319
5.747124
6.577349
5.327067
7.045747
5.857234
6.931120
8.881619
6.646077
5.346477
6.274483
5.246254
8.772607
5.821711
5.378094
7.875607
5.931455
5.662038
5.745903
5.149693
6.279122
5.723075
8.664937
9.107212
8.652608
5.940123
6.185858
8.512101
6.216987
5.204627
8.907254
5.633595
6.606891
6.889370
5.440107
6.110294
6.432325
6.395947
6.427198
5.275674
8.029420
7.102634
7.991089
8.320444
8.325816
9.083895
7.488144
7.664174
7.701041
8.979034
6.441359
6.914396
8.711325
7.384869
5.528245
6.786340
8.558733
6.145695
6.498611
6.357250
7.175878
7.917356
5.896054
7.033662
6.804407
8.379772
7.460189
8.603534
8.938993
5.472579
6.083438
8.748558
8.514786
8.029908
6.196722
7.394269
7.211524
8.187262
7.461043
7.270119
5.750053
7.938597
8.637349
8.054689
9.055818
8.215094
6.512284
5.482833
8.164190
6.863735
8.753197
8.789575
8.744163
5.898618
5.567675
7.862056
6.113102
6.400830
7.042817
7.481307
8.619160
7.947447
5.191504
7.330851
8.441725
5.912595
7.378460
8.006653
7.081454
5.685293
8.636921
7.836970
8.102847
7.858821
8.229926
8.681845
5.119968
5.532212
6.495621
6.484268
7.937193
5.941038
5.807855
6.210700
8.144230
8.797937
9.028657
7.436689
5.394391
6.719871
5.327616
8.959075
7.235878
7.117100
7.245643
6.804468
5.372539
8.916715
8.871670
6.012696
5.230567
5.497543
9.015961
8.567095
7.703177
7.211829
5.247658
5.849483
7.951476
6.866237
6.676534
5.993896
6.134648
5.540757
7.349773
8.511673
6.944121
6.116581
8.142644
8.567339
6.817896
7.891537
9.016205
7.276650
5.710196
5.655141
7.516037
6.403455
6.289682
6.600970
5.389630
7.830012
5.442732
8.448561
7.194983
8.175115
8.957366
8.152165
8.776574
8.936857
6.259896
8.570269
7.483566
8.532670
8.083560
8.470779
8.005799
8.613605
7.939512
7.247475
7.700980
9.026582
6.269784
5.722404
7.289224
7.800104
6.153203
6.408460
6.790918
8.529130
7.441816
6.609272
8.580035
7.531663
8.201605
7.728813
7.431074
7.156163
8.333201
6.167119
5.432356
7.610279
8.247505
5.178198
7.642140
7.689138
5.469955
5.061983
8.361156
6.777123
6.051149
7.068392
7.897885
6.496963
5.655263
8.387280
5.700797
8.384106
5.204566
7.598682
5.733390
5.957640
7.953185
5.960082
7.965270
7.565966
6.865261
7.903623
5.855953
8.380444
5.173437
6.119144
7.706717
7.912046
6.991363
6.599628
5.753044
7.427656
8.856044
7.020661
6.875637
7.638112
5.075289
7.832331
8.802576
9.036348
5.754753
5.435652
7.679495
7.257973
8.378979
6.822291
8.881680
5.840571
5.822748
7.046907
6.942778
8.956526
6.519562
5.135975
5.738899
6.288476
6.008683
8.302210
8.486663
6.161519
8.334925
6.129658
7.720771
7.470885
7.927198
8.250206
5.725471
7.210013
6.402493
7.120167
6.266381
7.835887
6.572054
7.069384
6.108905
5.094104
8.691626
5.747200
5.967544
5.681280
6.827921
8.343715
5.759163
6.116718
5.217643
8.957015
7.036302
6.201315
8.493500
7.486633
7.474425
8.437101
5.651982
8.423307
6.289819
8.782571
5.639897
5.913099
5.461791
6.118427
8.430998
5.470092
5.634526
7.801340
5.471068
6.711585
5.573122
6.674963
5.365352
5.493042
8.050615
6.920942
6.682409
7.815500
9.038316
6.117939
5.750130
5.881481
9.076525
6.888104
5.320185
8.675390
7.700018
5.503418
7.973220
5.440306
7.792795
6.829630
8.141682
6.430815
6.748085
8.978866
6.625278
7.311823
5.307367
7.049974
5.473388
5.582278
6.954268
7.329279
7.109180
7.397397
6.738929
5.327265
7.571474
5.162832
6.405789
7.025559
7.748848
8.279748
6.702063
6.710974
8.480316
7.410337
5.740364
8.769997
5.399045
6.644688
6.291284
6.818400
5.392453
7.938917
8.880352
7.543764
8.555025
6.202780
5.565188
8.631565
5.507691
7.410947
7.267022
6.153829
5.960952
8.111408
7.531678
8.793924
8.392666
8.709204
7.595401
6.279809
6.720374
6.896649
5.630985
5.407468
7.839793
7.608707
7.047899
9.020615
7.905103
7.875195
6.721595
7.329890
5.227165
8.948103
8.029374
8.941389
5.664068
6.075701
5.563356
8.970931
6.377712
8.301965
8.401090
5.620365
5.833750
6.661779
6.802530
6.589145
5.918470
7.152638
7.215262
8.696509
6.046892
6.852580
6.455962
8.089801
7.139943
# Label of molecule (1)
0.802419
# Number of Instances of molecule (2)
3
10.651663
9.002297
9.472933
10.506832
12.582490
8.913417
11.499076
9.201929
10.572047
8.925471
8.598343
10.058145
9.492874
9.745026
12.763131
10.569805
11.673800
10.987321
11.571363
11.836834
11.903321
9.023519
10.870858
9.680587
9.633582
12.245439
10.416312
10.157055
10.849977
11.810451
12.485069
11.963838
12.040449
11.342176
11.558476
10.811352
10.094848
9.943373
9.175844
12.022066
10.120646
10.191146
12.506296
8.844671
9.174450
12.612206
11.334470
10.192453
11.639528
11.746264
12.330209
8.503227
9.617692
11.729583
9.210651
10.842524
8.465326
12.461515
9.694751
8.393513
10.287595
12.400124
10.841223
8.835752
10.704453
9.456535
10.354935
9.337544
10.380287
9.989683
12.158215
10.056926
9.709374
9.973155
8.463526
8.931067
10.624294
11.242826
8.557545
10.004936
11.511221
9.316221
9.813859
9.247855
9.598149
9.486449
12.093816
8.501651
11.200911
10.120044
11.373626
11.419527
12.462015
9.317641
11.814850
12.641359
11.616297
10.005340
11.218501
11.881653
8.829077
9.462293
8.719007
12.020859
11.615377
9.392568
8.871899
9.579100
11.590783
9.363459
10.921226
11.619822
9.308503
12.592796
9.053155
10.176736
11.344849
11.657776
11.838312
12.265181
10.080806
10.332460
9.025313
9.908610
9.084678
12.752488
11.141552
10.915868
8.980238
10.210205
11.540371
8.376597
10.053974
8.651474
9.402326
12.169929
10.963754
12.373017
10.572811
11.707387
11.549167
9.644848
10.516645
10.477983
8.403401
10.807654
9.789817
8.822009
11.746292
11.590749
10.282864
10.980785
8.824092
12.243299
10.316983
11.224452
7.999712
10.517086
10.329321
6.999363
6.209206
8.174516
7.448618
7.284673
9.777930
6.715225
8.197378
5.385891
7.018509
5.934126
6.379696
7.034623
8.495483
7.538911
5.871990
5.225120
5.643223
6.530580
5.351955
8.979019
8.266961
8.490478
7.065386
8.655766
6.642888
7.398892
7.427580
5.720618
5.381863
8.929212
7.366543
6.410092
6.221122
7.078204
8.283319
7.670629
8.622074
5.507965
5.504791
5.745888
7.046220
8.972549
5.103412
7.788186
5.788125
8.206046
7.959212
8.867321
6.235160
7.647191
6.938795
6.752998
7.434416
7.374355
5.067156
8.847179
6.837840
8.626347
8.566408
7.636937
6.102832
6.283990
6.635197
7.049028
8.821909
5.689001
7.848491
8.075426
7.057573
7.171957
9.046525
8.048692
7.556612
7.667089
6.592471
5.940107
6.519227
6.788400
5.871990
8.056383
7.797586
6.741157
6.909742
6.510071
5.399442
5.443876
5.978561
8.838389
5.171041
8.237907
7.075396
7.144368
6.535096
5.555574
7.139241
5.138691
7.158284
5.926923
8.887341
7.453093
7.422941
7.694800
5.141743
5.601962
5.579623
6.817576
8.525758
8.969863
8.453368
8.132923
6.398740
7.194052
8.579592
5.455840
6.912549
8.323603
8.645390
5.889447
8.056505
7.124470
8.110340
7.721046
7.571139
7.910016
8.880993
7.278405
5.604404
8.268426
6.916822
8.123157
5.984542
8.064318
6.638981
7.954451
7.985092
6.088549
9.020768
8.599002
6.456603
8.731941
6.230155
8.461180
8.202506
9.056658
5.704993
6.809885
6.469543
8.641484
8.530763
7.276574
5.432402
8.575686
8.998306
5.938032
8.544557
5.975875
8.217521
7.361293
6.631169
6.401669
8.659062
5.983444
7.600558
8.544801
6.501892
8.204093
7.645482
7.565767
8.660161
8.561037
5.814005
5.455718
5.992218
6.966369
7.344188
7.367992
7.149113
8.458235
5.459731
7.716636
8.284524
8.608142
8.223853
7.297311
6.532884
5.929960
8.667837
5.259407
6.866268
8.048677
7.992523
6.760186
8.241066
8.076266
5.853175
8.242409
6.238563
6.637379
6.324015
7.799402
6.072787
7.917081
8.416608
8.001434
5.839137
8.107883
8.028901
8.556505
7.881924
8.629994
8.198950
8.183081
6.152379
8.499741
8.537828
9.068972
7.435499
8.222144
6.716971
7.290353
6.318033
7.580889
6.886654
6.567309
7.773888
5.702414
7.897061
6.730399
5.241462
5.768822
6.200720
8.272073
8.069430
8.753044
6.309366
8.360942
6.202307
6.553148
5.679098
5.689840
5.986114
6.900937
6.902646
5.537126
8.964110
8.416852
8.078707
6.411298
7.539628
6.190466
8.238380
7.658895
5.383312
6.258461
6.699149
7.406934
8.455306
5.355235
9.225227
6.216956
6.519822
6.314005
7.866665
5.824732
7.028626
5.489273
7.353465
6.340739
5.244758
6.578906
8.919187
7.287057
8.484603
9.219489
8.429304
7.844569
6.351115
6.729423
7.689657
7.686728
8.836299
5.377087
7.808924
7.774255
8.162572
7.545244
7.491409
8.484970
6.244911
7.170354
7.133610
8.455184
7.642659
7.830409
5.601947
5.507340
7.879238
7.855434
6.563524
7.037782
9.004761
6.836360
5.247688
7.241279
8.274392
5.908597
8.512192
6.545457
7.820765
8.182714
7.088076
6.632618
7.191717
7.698813
8.880978
8.420881
6.631275
5.279916
8.199927
6.382488
6.977966
7.658406
7.793298
6.572802
6.054353
8.250710
8.561998
5.744530
5.424818
5.955718
7.829188
6.923643
7.394971
8.351909
9.039186
8.821284
8.128147
7.666952
# Label of molecule (2)
0.851537
# Number of Instances of molecule (3)
4
10.461182
8.904002
9.672454
10.516268
12.409634
8.963971
11.468173
9.142404
10.394438
8.837431
8.627634
10.031397
9.434086
9.944392
12.421972
10.621271
11.570380
10.972438
11.707882
11.595138
11.961147
8.867290
11.119628
9.710977
9.829692
12.443398
10.425835
9.904311
11.058976
11.676565
12.310628
11.983226
12.059077
11.284011
11.582622
10.758708
9.958991
9.929833
9.122770
12.009306
10.227886
10.271542
12.693147
8.890665
9.086916
12.548558
11.450410
9.999902
11.844348
11.428779
12.360412
8.371742
9.620846
11.483049
9.333012
10.858999
8.443065
12.497221
9.536324
8.420302
10.209346
12.344260
10.867342
8.861948
10.822387
9.278765
10.413920
9.278068
10.426118
9.921380
12.031231
10.220688
9.830051
10.001283
8.422102
9.090547
10.498822
11.163986
8.752007
10.140193
11.774030
9.308690
9.801776
9.321277
9.701022
9.533856
12.002486
8.381354
11.193450
9.941926
11.115543
11.421393
12.320631
9.240884
11.861682
12.421323
11.665939
10.280791
11.323735
11.911075
8.905401
9.435033
8.920434
11.946786
11.441603
9.284460
8.956010
9.661580
11.751090
9.157011
10.788017
11.247991
9.008162
12.512180
9.229804
10.067024
11.576822
12.225465
12.368213
12.160593
10.029140
10.147274
8.525541
10.521117
9.064669
12.546024
11.173016
10.670219
9.314527
10.040477
11.634788
8.797930
10.226152
8.927458
9.268958
12.094882
10.893236
12.676603
10.062429
11.883681
11.628210
10.124993
10.335251
10.515686
8.552298
10.784810
9.556410
6.509180
9.331860
10.741632
9.180528
8.519849
6.323181
10.117573
8.964423
8.960917
7.925197
10.731115
8.869326
8.076627
6.887121
8.760607
10.019342
6.454585
9.406996
8.519642
7.424390
5.490127
8.868404
8.295633
6.672048
5.446059
9.262947
8.826411
7.329783
7.085757
7.955412
6.653859
6.180090
6.762017
8.968627
8.461043
8.692251
7.800256
8.830439
8.202857
7.117740
6.126377
6.321329
8.839961
7.734581
9.075930
8.808466
7.940031
7.613361
8.255348
6.539109
7.020814
7.283517
5.335459
8.272317
6.511032
7.671834
7.649007
5.618793
6.202063
5.690085
8.466048
7.469680
9.068972
8.846187
8.827021
7.883145
8.331278
7.252510
7.803064
8.809809
7.633137
7.409742
6.062410
9.026978
6.214637
6.137242
5.615497
8.660268
6.949644
9.028077
6.615772
8.664907
7.127262
7.801721
8.089450
6.644093
5.849391
8.930540
5.470107
8.377911
7.921476
7.915250
7.813196
8.436995
6.108554
5.582415
7.564776
7.259835
5.636494
8.781976
5.760887
6.063143
8.807245
7.856655
5.530168
6.965026
7.608356
9.261727
8.777703
7.693075
6.189123
7.705893
8.922117
6.254311
9.078616
8.192602
6.563402
8.940184
9.020997
6.333903
8.955565
9.042726
6.303629
9.312754
8.157445
5.657247
5.451796
5.868313
6.740043
5.945463
9.165166
7.681600
5.922514
8.234352
7.372387
6.531663
9.013428
9.326060
9.277841
5.602802
7.030213
5.394299
8.274514
9.313730
7.376171
5.841578
7.600177
6.045198
8.443953
5.490982
8.610462
8.142796
9.026002
6.491134
5.543229
7.565142
7.404004
7.305246
8.652211
7.558550
6.992248
6.161779
7.580035
8.728141
7.412305
8.341655
8.851192
5.883206
5.870144
8.675405
7.354808
6.030915
7.716025
6.626392
5.696921
7.893521
7.055239
5.335948
9.292978
9.323496
8.292459
8.003265
7.077700
6.992737
5.477554
6.734153
6.337168
6.934477
7.142247
8.886319
5.840205
5.509140
5.423200
7.076693
8.232734
8.782800
8.644734
8.738243
6.338023
8.957488
5.850093
7.795099
9.056612
5.630360
8.826868
5.866329
5.915403
6.025513
8.636067
8.369945
7.549486
5.561388
8.761925
7.898495
6.984893
8.130314
6.750511
9.244484
8.604450
7.462325
6.218146
8.448439
5.665517
8.951750
7.100131
8.245796
9.250343
9.318339
8.018006
6.287240
5.517441
5.479720
8.637898
6.507340
8.136906
6.010743
5.897214
6.016358
6.776025
8.561602
7.972594
7.890927
6.518693
8.614093
7.864925
8.238105
7.086215
6.947783
8.477981
7.907651
8.739830
9.192236
9.062349
9.228126
5.736930
8.839930
8.902676
8.140812
6.217902
7.095737
6.122074
6.107425
7.395917
8.936857
7.478683
8.167058
8.928800
8.758873
7.028474
7.514451
5.343120
8.982269
5.531724
6.979034
8.390698
8.996063
8.475906
5.775872
8.206244
7.810724
6.590106
5.906247
8.148747
5.798944
8.728477
6.579974
6.194098
8.895352
6.993805
9.037935
5.759392
8.633625
7.979797
8.147160
8.831629
5.393902
6.004395
9.144139
6.274789
8.236763
8.211737
5.902463
6.193854
6.696677
7.414350
7.098056
7.226722
7.913266
8.554521
6.647969
5.640858
6.472060
8.656209
8.798059
7.111484
8.332469
8.145329
8.233589
8.051576
8.214789
5.411603
7.588672
5.374126
5.825434
8.488235
8.729331
7.558031
8.291696
7.721976
8.183782
5.892941
8.182073
7.313150
9.097751
6.780419
8.489090
7.595996
8.087100
7.963439
7.946959
7.935972
5.364849
7.561205
6.059816
6.120487
8.515458
8.783288
9.217505
8.116642
6.293222
9.198950
6.123951
4.740486
7.244591
7.724586
7.856914
5.488067
5.749794
7.317591
5.710486
7.680517
5.011368
7.378628
4.696295
4.734382
7.823222
7.231651
7.464568
5.716956
8.357662
7.634617
8.117054
6.317316
8.381588
5.607089
6.670843
6.498840
5.558382
6.625675
8.543214
7.705542
5.211936
6.059862
7.436125
8.498413
4.925062
5.727088
7.994125
7.496063
7.349818
5.439116
6.610538
8.495972
6.602969
7.415128
6.756539
4.648930
7.624119
5.437773
7.209922
8.564821
7.867412
8.626347
7.556001
5.221213
4.705695
7.701270
5.337428
6.554506
5.920820
5.616977
5.228538
8.601810
6.653630
8.436644
6.605777
6.076220
6.190481
6.322932
5.893597
5.244896
7.961531
8.523072
8.058336
5.986740
8.123890
6.218436
7.624729
5.905683
8.105579
7.119709
5.591830
5.372707
8.486694
7.675634
6.621891
6.373470
7.590182
6.776559
6.877758
8.035020
6.159352
6.823923
4.883679
7.707007
5.495758
6.042528
5.784585
6.473327
8.433958
7.909650
7.378750
7.968123
6.525575
7.575900
6.299127
5.370754
6.811106
5.154805
4.717780
5.456694
5.551546
5.752846
7.949080
8.577517
6.296564
8.117542
5.325709
5.444731
5.662633
5.777505
4.724128
5.595614
8.198599
6.550111
5.112934
6.410703
5.710486
6.290582
5.498810
5.563631
6.424253
6.759346
6.647771
5.773965
5.357204
5.479766
7.953108
6.740669
5.277001
7.465545
7.828104
5.129292
7.621555
6.687933
5.995529
5.490509
6.753121
7.161946
8.053209
6.981155
6.926099
7.523408
6.684515
4.766610
7.338221
6.974197
7.895856
6.977737
6.644230
8.469115
4.649785
6.096118
8.304926
5.019669
6.273736
5.645909
# Label of molecule (3)
0.830807
# Number of Instances of molecule (4)
4
10.638450
8.958823
9.635531
10.566731
12.341378
9.095386
11.302951
9.304249
10.456370
8.932929
8.528496
9.894789
9.339058
9.861088
12.580948
10.584896
11.683781
10.966939
11.504065
11.609342
11.714419
8.888977
10.916804
9.494641
9.847876
12.210460
10.534074
10.126068
10.858883
11.770671
12.525758
11.980005
12.110574
11.204138
11.432059
10.934901
9.820006
9.928128
9.013845
11.788663
9.972001
10.161732
12.511542
8.918934
9.084992
12.363398
11.563106
10.096140
11.536573
11.730462
12.347957
8.350309
9.615376
11.731554
9.281126
11.001259
8.558681
12.417464
9.721508
8.498560
10.098672
12.408565
10.723354
8.729091
10.746379
9.397734
10.391874
9.423894
10.223226
10.179644
12.073761
10.099726
9.820661
9.889767
8.333251
9.009622
10.684132
11.164443
8.610320
9.991121
11.682752
9.446913
9.780695
9.380717
9.486752
9.648283
12.253809
8.357574
11.093476
9.950692
11.295117
11.478549
12.210320
9.191099
11.927534
12.373726
11.689716
10.253656
11.365100
11.924541
8.834942
9.607589
8.591936
11.683391
11.764220
8.876792
8.738428
9.289111
11.616373
9.245604
10.785466
11.298594
9.336309
12.845768
9.562177
10.305206
11.328161
11.990317
12.271955
12.837882
9.999055
10.242940
9.026756
10.478798
9.035730
12.865278
11.197998
11.064283
9.084295
10.305953
11.729850
8.552000
10.315889
8.728281
9.022656
12.152007
11.195757
12.313492
10.240688
11.863476
11.246507
10.054756
10.199870
10.666341
8.499693
10.709999
8.233516
7.019864
10.620156
9.326864
8.951560
9.075723
6.689353
12.211981
9.981600
10.625900
10.280461
9.536370
10.516494
7.274655
6.171516
7.043809
9.455053
5.861766
8.686237
7.251042
6.608219
7.931990
8.159291
5.834025
4.854381
7.001663
5.846477
5.381741
5.626255
7.396817
6.504456
8.389889
6.646916
8.081164
6.528016
5.524689
7.842021
6.644719
6.782785
6.949904
5.655797
7.989120
6.527161
6.007370
7.547334
8.598270
8.200674
7.421842
7.540010
7.769997
4.954604
6.404111
5.702063
7.184896
4.800180
7.027299
8.431028
6.184133
7.248741
6.251885
8.417966
6.134816
6.318537
7.973861
5.166524
7.255455
7.784890
5.471465
4.942396
7.277306
6.546571
8.626347
5.025529
5.317530
7.984725
6.290460
5.144063
8.337397
7.189047
8.179678
6.962111
7.561251
5.925703
8.663823
8.496460
6.232963
5.223533
4.830088
6.339778
6.081103
5.450713
7.196615
8.562014
5.871868
7.760231
7.447233
7.166585
7.422330
4.776620
5.566073
4.977187
6.448668
6.400571
4.745613
5.828654
7.627537
8.604740
8.442625
6.936842
5.240989
7.097491
7.957381
6.324885
4.784066
7.729102
6.912305
8.177847
6.907178
7.514008
7.003128
7.001663
5.070330
6.146657
5.398709
5.463897
6.282769
5.883221
8.164785
6.786691
6.303278
7.666601
6.084765
8.570559
8.677374
5.367336
5.256249
6.923414
6.984451
6.018967
6.834056
5.768105
7.671484
5.917280
8.297113
8.205924
4.847423
6.465026
8.613895
4.807627
8.413816
7.631687
5.682165
7.712622
4.905042
6.905957
8.416013
5.404080
8.417356
5.616367
7.855693
7.041459
4.995132
6.492492
5.678869
7.221152
7.856914
8.344600
8.481567
8.043199
6.828684
5.734291
6.210013
5.355861
5.366115
7.514740
7.115558
8.056871
8.535890
6.109302
7.607150
5.322535
7.333583
7.411344
5.377956
6.643498
6.712836
6.104022
7.266533
6.329737
9.191275
8.386929
8.536103
7.734199
5.941176
7.869701
7.822336
6.670690
5.685675
6.362819
6.542268
5.699103
6.256737
8.859233
6.003555
6.197287
7.271416
6.771523
8.574557
7.078906
8.672460
8.100543
6.188986
7.129444
7.542665
7.406430
7.563295
6.833415
7.566836
6.461211
5.497559
7.569277
5.517701
6.454985
7.639714
8.046831
9.140370
6.632237
8.084429
7.860668
6.809610
6.233055
7.182546
6.037370
7.336848
8.613132
8.938337
8.448576
6.298730
8.419401
7.365047
7.966628
9.265984
8.695288
7.178640
7.238212
8.304285
8.789773
6.201315
7.948805
6.124531
5.947401
8.851665
8.455046
8.256310
7.451720
6.094378
5.659673
5.618900
8.199423
7.227958
7.003220
7.867748
6.578524
6.881634
8.447233
5.886486
5.526612
8.599216
8.326014
7.805979
7.643742
8.382900
8.939558
6.917646
7.234550
7.574648
7.763985
5.864635
8.155721
6.446440
6.154805
7.477721
6.342799
7.878491
5.415647
8.636448
5.891736
6.496490
6.111225
7.528626
7.570009
8.646702
8.495941
8.683325
6.632603
6.579745
5.935560
8.151204
6.817667
8.223350
9.195914
7.210013
7.396786
5.912244
5.472900
8.966781
6.154927
5.458007
6.041643
6.234886
7.175100
6.926557
6.395901
7.058885
8.302820
6.502960
8.755104
6.262352
9.164785
6.818033
6.814249
5.395505
6.618198
9.108997
6.611118
5.454466
6.503815
6.592441
7.384213
6.750893
6.579012
8.423063
8.299280
8.302942
7.505799
5.612430
8.917585
9.126942
6.768105
8.285241
5.281243
7.800607
8.394009
5.644414
5.491333
6.675695
7.357479
6.024918
6.651646
9.114002
5.535157
8.405484
5.540895
6.206565
4.944319
6.202780
6.623447
6.058123
4.998032
8.128620
5.226310
6.633824
8.200644
6.699744
8.120930
7.965651
5.947035
6.934980
8.708472
8.334925
6.015763
4.770363
6.680944
7.426206
7.583438
5.958876
5.360103
8.567110
8.607517
4.993515
7.591006
7.428526
5.450438
6.429716
5.066149
8.561861
6.622105
4.980209
5.953871
5.146107
8.512909
6.758461
7.706610
7.321833
6.995041
8.046342
7.923048
6.484771
4.765969
5.958998
8.141438
4.917219
8.309168
5.384152
7.436338
6.128681
6.345607
8.569918
8.695288
7.283258
7.655095
7.734565
6.450713
5.087878
6.136738
7.076830
7.141163
8.516572
6.989792
6.558016
6.676794
5.745003
5.883435
5.833750
8.185385
6.672399
6.996628
8.707862
4.812479
8.402310
7.798044
6.485626
6.451811
5.061266
8.444304
8.600803
7.278741
5.327754
5.670171
6.889447
4.965804
7.046190
5.046007
5.889416
8.451994
8.303308
7.477111
5.536500
5.139637
8.339076
7.819895
8.634739
8.400235
5.670171
5.491699
7.474548
8.255577
6.797769
4.946760
5.976089
6.116596
4.877178
5.893567
7.728950
8.450896
5.723151
5.131092
6.305689
8.254112
8.526582
5.876476
8.225181
5.202383
6.655919
8.459441
4.937849
5.359249
7.921339
6.259301
8.210532
7.310968
7.673040
4.759743
5.283074
7.607730
6.111957
7.594668
8.175863
8.384854
7.185354
7.461608
5.518311
8.037309
6.443754
5.778207
7.277642
5.825205
5.233879
6.954634
6.759682
5.283197
6.602817
7.158742
6.259545
7.310236
6.287011
7.448546
6.734291
5.812510
6.163594
7.146657
7.874950
4.778787
7.537049
7.331965
6.951704
5.657598
7.635929
# Label of molecule (4)
0.804306
# Number of Instances of molecule (5)
5
10.357835
8.998904
9.708069
10.531297
12.403421
9.051192
11.481128
9.359999
10.384253
8.679582
8.624203
10.008168
9.536522
9.956280
12.737112
10.501842
11.560761
11.204470
11.735136
11.638653
11.714808
8.919164
10.928524
9.573375
9.806784
12.276081
10.402082
10.164771
10.967965
11.630837
12.190579
12.230179
12.171204
11.280913
11.488413
10.799035
9.876689
9.930865
9.071691
11.801571
10.213766
10.369251
12.558452
8.744380
9.107899
12.621068
11.475355
10.019500
11.820000
11.504953
12.368139
8.262364
9.535899
11.710492
9.432338
10.706534
8.362741
12.633980
9.781531
8.412899
10.324341
12.387263
10.892558
8.895665
10.865509
9.214702
10.327493
9.150342
10.434197
10.128058
12.051900
10.171272
9.972468
10.045945
8.563988
8.932464
10.648249
11.419839
8.793392
9.990766
11.578486
9.412895
9.904784
9.170050
9.652570
9.554650
12.033054
8.365665
11.251746
9.892676
11.110009
11.408383
12.362878
9.348643
11.956591
12.448510
11.810015
10.274278
11.372861
11.661676
8.824418
9.582533
8.792800
11.999058
11.575242
9.147753
8.885376
9.526621
11.734587
9.223604
10.767948
11.606575
8.792719
12.350936
9.170203
10.129283
11.318754
11.656545
12.073256
12.504078
10.235656
10.210945
8.873095
10.003828
9.354144
12.352128
11.328107
10.726488
9.171540
10.108516
11.811358
8.478869
10.159733
8.877166
9.465640
12.556978
10.799053
12.885215
10.469337
11.719786
11.744214
9.717388
10.103428
10.657255
8.574865
10.986438
9.521677
9.088428
11.625850
11.513365
10.201537
11.061109
8.622056
12.706023
10.656120
9.632273
8.849353
9.321542
9.544273
7.823488
6.697664
8.589889
8.448800
7.879201
9.077954
7.121261
6.060732
6.922697
5.216102
6.558672
6.050356
8.730247
6.764489
8.343638
7.710929
7.883663
6.468825
5.212439
8.541398
6.208319
5.536424
8.159917
8.287729
6.699667
6.886441
8.117435
8.565935
7.632313
7.268654
6.136418
7.070772
6.536332
4.905667
7.625965
5.744438
5.915342
5.033479
7.520127
6.282907
6.582110
7.715323
7.250221
8.351329
8.486221
8.303598
6.397046
7.886715
4.908109
6.926725
5.896664
6.861171
5.897763
5.372600
5.677175
7.881100
8.827052
7.747063
5.599658
4.996612
7.937132
7.278787
8.578631
8.098636
8.752220
7.650258
6.756920
8.274667
7.234596
5.225013
5.611621
5.502243
7.558092
8.549455
6.862880
6.053163
6.372875
5.502243
5.063753
6.982391
5.438276
6.468337
6.743858
7.078829
8.496963
5.910337
6.983489
5.652882
8.266366
6.713706
8.291757
8.533097
7.423078
5.680471
8.664937
6.649495
7.453719
8.546525
7.698965
6.579058
5.248207
4.896634
5.632252
6.425001
7.310282
7.354472
8.192633
8.409070
5.459639
5.418134
8.124149
5.547655
7.902829
6.323435
8.268685
5.790948
5.543992
5.300699
5.077548
6.996796
7.415143
5.609668
5.426679
6.115299
5.096835
6.718833
7.613147
7.960570
8.007080
5.011383
7.404157
4.941801
5.431928
5.387494
8.018433
5.132115
5.173742
8.140996
6.910123
8.046754
8.690939
5.484176
6.233222
5.507492
8.605365
8.096316
7.860958
6.969329
8.452040
8.070437
7.833613
6.681234
6.545854
6.633259
7.113254
8.059084
7.840327
5.014191
5.515793
6.644002
5.653371
6.837245
7.699454
7.022309
5.136265
6.411328
8.081668
7.079684
6.358592
7.294900
7.561510
4.969024
6.885830
6.454329
6.017182
6.059297
8.077792
6.253151
8.801935
5.413282
6.293313
9.142521
8.098788
8.650563
8.627369
8.347453
6.702994
5.854213
5.633869
6.980224
5.801721
8.483444
7.580096
8.147252
5.879604
6.349712
8.301187
7.391614
6.242409
5.869594
7.860134
6.846919
7.031617
7.964019
8.887265
8.477584
7.606952
5.981536
7.473525
5.778771
5.170965
6.020478
5.495315
7.313608
7.510758
6.023896
5.241890
7.460219
7.731468
8.023713
5.224189
5.745689
6.857662
7.906644
6.037446
6.140355
8.177038
9.081240
9.153142
5.688070
5.199530
8.415571
5.516678
7.847682
7.111942
8.825495
8.824763
5.919645
7.595843
6.885006
6.355571
7.935575
8.890439
5.835780
6.231178
8.380902
6.972045
6.369732
5.983123
6.130711
5.724937
5.560137
5.297678
5.970672
5.980316
8.316568
7.816553
7.078738
5.296579
5.737022
6.866573
7.843410
6.358013
8.735893
7.994781
6.391827
5.864101
7.317270
7.182134
6.205542
5.787439
7.874294
5.613483
6.195288
6.873165
6.885861
7.875271
8.613086
6.255104
5.386059
8.459517
8.174474
7.065554
6.584094
5.446730
7.767357
5.910733
9.005188
6.244362
8.121494
6.089328
5.531449
8.253212
8.813288
6.427595
8.716605
7.340098
7.982574
5.607379
8.747124
8.989929
6.134861
7.860866
8.428999
7.011963
5.404492
5.907193
5.571734
8.676199
5.653401
7.007324
7.146367
7.154057
8.781671
6.009980
5.590411
8.139439
8.623096
7.265389
5.639363
7.523331
5.802576
7.280648
8.053255
6.999512
8.928892
7.993316
6.618274
8.473678
5.497635
8.536058
8.797540
6.153050
7.882595
5.369335
8.403485
5.190619
5.784875
8.655812
6.808756
9.039537
8.386685
5.713752
6.805948
8.978378
7.737617
7.006516
7.688299
8.823344
6.549593
7.018601
8.319666
5.759041
7.554262
7.955153
6.184225
7.803049
9.364986
5.479614
7.478210
9.007675
5.814219
5.740242
7.286554
8.030229
8.315394
7.952345
7.221488
5.944960
5.620487
7.408506
7.896558
9.172720
9.354244
7.795602
7.611637
9.401120
7.694159
5.689459
8.624119
6.374538
7.576235
8.106037
6.380398
9.424314
7.797189
5.980361
7.084399
7.615787
7.390927
8.452483
8.975936
8.390103
7.653874
8.830424
8.695288
6.570467
8.192953
7.110401
8.109455
7.611759
7.372738
7.924757
6.973189
6.967330
7.535096
6.795938
8.802103
9.448241
7.368587
7.569277
9.330805
6.448637
5.799570
7.900830
6.932173
6.914594
7.784005
7.674871
8.373501
7.929395
8.370205
9.226310
9.281854
8.791116
9.411985
8.241905
6.696692
6.457183
9.303949
8.217612
7.083544
8.232261
8.116535
9.344111
7.182302
7.571230
8.502899
8.698462
7.067797
6.876507
6.755898
6.613681
8.795755
9.161611
6.386624
8.105304
8.009232
6.455840
8.603732
6.225120
7.882519
6.829020
8.063555
8.221885
6.773843
7.904736
8.271081
7.379940
8.965804
6.744057
9.002670
9.413572
5.865734
5.969497
8.128010
8.290613
9.042711
6.006485
6.205710
8.361293
6.474273
7.317927
8.226279
7.665471
7.381161
8.504608
6.879437
7.296442
7.020676
8.148762
5.719977
5.692633
8.817484
8.274499
6.606601
6.735267
7.204886
7.300592
7.788888
8.524873
8.552217
8.359828
9.018540
5.712897
5.552492
6.861614
6.058733
8.263390
6.447539
7.170827
6.966720
5.517823
6.461943
8.279260
6.587268
8.106601
8.957457
8.689261
8.513352
7.731223
8.734550
8.776788
7.522111
5.863369
8.272866
6.700064
7.465590
8.185461
5.660604
8.594653
7.643330
5.870693
7.218879
8.768120
6.378277
8.584521
6.697745
7.398816
6.428327
5.599322
5.246895
8.539476
5.608722
6.904904
6.534043
5.299875
6.000824
6.183447
7.387463
9.085391
9.121281
5.528642
6.335673
5.763390
6.427229
7.780663
6.422590
7.636616
8.533494
8.353435
6.668691
8.094272
6.513779
8.430342
6.557970
7.818384
8.664357
5.400708
5.921110
7.421033
6.103122
6.414045
8.594165
7.384045
6.579943
8.926450
8.224281
6.180395
5.871792
6.114109
8.599048
5.449538
8.140904
9.029481
8.875301
9.101993
8.626514
7.373547
6.079318
5.228584
6.049165
8.761528
5.258370
5.691366
6.100925
6.354839
5.652669
8.266152
7.395032
6.736076
5.267647
8.216346
7.253304
7.900174
8.219398
8.172643
6.703482
7.238411
5.227851
9.189520
8.062777
5.389721
7.634297
7.859279
8.481857
5.833949
5.316721
6.353862
6.825922
8.102206
8.878964
8.272134
7.265755
6.478988
6.487289
7.166753
8.954772
8.073153
7.732810
8.625782
9.167180
6.128758
8.889096
8.783990
5.272286
6.455061
7.945830
6.138524
6.920042
6.847530
7.790185
5.544755
7.810694
7.376598
7.910306
7.266488
8.428022
7.417982
6.999390
7.955718
7.106693
7.301523
8.831843
6.437727
6.811029
6.450301
5.787927
9.175237
6.999878
7.888821
8.402509
8.287149
7.952300
8.991760
7.311411
6.997925
8.928892
8.351360
7.971831
5.390332
7.544816
8.635914
8.531175
5.339061
5.727866
5.315622
5.218696
7.498306
5.638630
9.132023
# Label of molecule (5)
0.856472
# Number of Instances of molecule (6)
4
10.437478
8.941727
9.677998
10.647038
12.581763
8.878213
11.342833
9.366645
10.526615
8.765699
8.594726
9.821825
9.366017
10.004912
12.551998
10.517310
11.750928
10.963524
11.657844
11.600329
12.038115
8.970416
11.143268
9.590664
9.843868
12.249506
10.694981
9.868363
11.006293
11.704045
12.259302
11.920810
12.017701
11.314017
11.595319
10.728858
9.880366
9.740124
9.087900
11.894039
9.990138
10.401510
12.547369
8.936443
9.260422
12.536946
11.583493
10.059641
11.568801
11.559576
12.349913
8.304989
9.769090
11.613328
9.407264
10.995047
8.424675
12.398362
9.735939
8.496862
10.311257
12.171272
10.841105
8.864063
10.601431
9.494864
10.569127
9.209604
10.332193
10.125598
12.024316
10.057547
9.836748
9.900709
8.511805
8.846582
10.595463
11.232561
8.801431
10.105249
11.513616
9.454614
9.619172
9.374418
9.648992
9.705882
12.320155
8.404949
11.106022
10.030224
11.121551
11.407398
12.432553
9.214926
11.946902
12.553554
11.520076
10.281243
11.291483
11.840229
8.933971
9.460843
8.767990
12.190974
11.505888
9.237099
8.922927
9.577921
11.805144
9.251701
10.805098
11.313881
8.895598
12.385983
9.178523
10.196109
11.586683
11.711350
12.457882
12.459672
9.965947
10.329236
8.671764
10.335524
9.143356
12.194121
10.986140
10.599258
9.393384
10.309103
11.571121
8.480459
10.108668
8.794384
9.254338
12.447256
11.049579
12.586121
10.176372
11.870051
11.330795
9.739042
10.564360
10.565246
8.698337
11.046737
9.913820
8.708233
11.432575
11.052118
10.290853
11.580372
8.372427
12.614179
10.464371
11.160265
10.593847
11.306986
9.981253
8.578351
8.891138
6.155755
7.339448
8.844957
8.795047
6.657429
7.994583
7.815989
7.569887
5.508911
6.337916
5.302606
5.957533
5.450804
5.312494
8.676244
8.132282
6.689978
6.667272
8.615696
7.678167
6.236839
5.617313
6.264916
6.685339
5.529664
5.937269
8.648778
5.292596
6.814249
8.671850
8.360683
9.034410
6.235862
6.338038
5.901502
8.867534
9.016587
8.496063
7.039720
6.753334
6.092303
6.559603
5.570559
5.668218
5.588626
7.726753
7.849071
8.920026
6.504669
5.900403
5.470946
7.643254
7.984573
7.477111
8.477630
5.349727
5.548708
7.877636
5.458373
6.408475
7.663030
8.695288
6.928022
5.330195
8.016312
7.335749
6.350734
7.731880
6.885540
9.024522
7.189138
7.855541
8.962142
9.056383
6.350490
5.517335
7.012375
7.162038
6.407376
7.360652
6.751259
5.867321
6.966109
7.289483
6.299951
6.718909
7.558779
6.955977
5.605838
8.252770
8.433927
7.178152
7.197562
7.579165
5.620609
7.161550
7.651555
5.461058
6.640416
6.402005
5.144154
8.758766
7.243828
6.141255
6.464873
6.116108
7.543886
5.253899
6.865520
6.765664
7.924390
7.437803
6.119892
6.324854
7.095996
6.584750
6.170553
5.458983
6.675451
7.206229
5.734993
5.287957
8.664159
6.787759
5.248894
5.408200
6.198996
8.949080
5.519898
8.408658
5.953017
6.283105
5.467284
8.752541
6.558138
5.750252
6.322657
5.901990
7.426939
7.502136
7.666570
7.560366
8.348231
6.009659
6.676183
6.904828
6.230735
8.371792
5.958510
7.688787
5.369625
6.677526
5.345332
9.084216
7.612857
7.299127
7.023118
8.142659
6.799112
5.988662
5.374142
7.747749
5.846202
7.655461
6.904584
7.934523
8.861553
7.697089
7.631901
8.452361
6.651036
8.083254
7.642201
8.449843
5.500290
6.753868
6.755455
6.008240
5.041292
6.914029
7.198340
6.462111
6.861293
5.256630
8.758934
5.288614
6.741173
7.257302
5.571459
6.091372
5.982238
6.562456
5.892636
5.314249
5.520798
6.748375
5.898495
5.511155
8.504288
5.319864
7.882565
8.044069
8.701804
5.826960
7.224464
6.086489
8.128178
5.974181
6.510331
4.807031
5.251137
7.596301
5.173620
5.607105
5.161779
8.376476
7.036225
5.287881
5.079257
5.182043
6.122013
7.022919
6.567095
4.892361
5.119785
6.009949
7.836055
8.593036
6.868862
6.677572
7.506455
5.012970
5.242836
6.320872
5.208045
7.079196
7.808466
6.043153
6.389599
7.462508
8.630634
7.876095
8.715354
6.991668
7.602527
6.954802
5.421186
7.808710
6.673666
5.623341
7.008393
5.142003
7.351421
6.344310
8.646870
5.571825
7.850581
6.287790
8.664937
5.661916
8.266732
6.475661
5.500168
6.834559
6.148381
6.355419
6.486526
8.362072
6.842250
8.678365
7.850581
6.350414
6.986175
5.557787
7.296243
8.591327
7.526841
6.582110
8.548601
5.154088
6.635212
7.856685
7.234596
8.597186
4.895413
6.851527
5.474044
7.670156
5.142247
5.927915
8.557146
8.384045
7.321757
5.420209
7.082247
6.322825
8.750633
5.146519
5.930723
8.073122
6.149113
7.225196
7.451155
5.645070
5.822199
7.070162
6.231025
5.761528
6.363598
5.441206
6.828089
5.888363
8.259651
8.424207
5.838923
6.882290
6.764855
8.215339
5.676809
6.131535
6.427686
7.585803
5.437544
5.062777
5.638234
4.900784
8.224250
6.890713
5.575610
6.568316
6.309153
6.484817
7.927488
7.792352
7.506943
8.228156
7.758904
6.461379
6.622639
6.077212
8.636860
8.079836
7.978515
7.355327
8.995270
5.925230
6.063051
7.699454
5.975890
8.493301
8.232185
5.509201
7.323832
6.594928
5.913755
7.900021
8.990509
8.544328
8.242805
6.087588
8.483291
6.462477
7.468001
6.080752
6.426099
5.574267
6.508988
5.550584
5.704520
6.371410
9.035554
5.756523
7.573351
7.518418
6.445143
9.401044
6.098941
7.375469
6.115299
9.289102
8.313730
8.014039
7.302713
6.668172
9.455245
7.598376
9.067293
8.121708
6.667196
9.010895
8.592792
7.892941
8.536027
6.592975
6.283639
8.513565
7.838496
6.879727
8.007324
6.611530
6.875088
9.200598
8.861843
8.774316
6.764489
6.022401
8.841334
8.340587
6.074038
8.910672
8.775170
7.998169
8.160894
7.980956
8.914945
7.060518
6.599200
6.719810
6.545610
6.298288
8.068850
8.046388
6.994842
9.200964
6.078677
5.491379
8.415418
8.541643
8.902371
7.369121
6.716391
9.124180
7.098849
7.815180
9.018586
7.582385
7.994629
8.567766
6.005799
8.110477
6.501419
9.365764
7.553331
6.997406
7.645253
6.838343
8.001221
8.841578
6.180731
7.762810
9.453658
7.319681
6.667196
8.563982
9.475265
9.385662
9.379925
6.930509
5.561327
7.773553
9.433149
9.424482
6.756676
8.681295
6.487991
8.956328
8.797754
7.508164
8.422864
8.004761
7.152440
7.522202
6.337230
9.450728
8.335459
6.332713
8.269906
6.905484
5.869198
9.041658
8.999542
8.406262
9.270791
8.950346
7.308817
9.351848
8.435438
6.696127
8.083132
8.557634
5.794855
8.692526
8.621113
7.302225
6.623127
7.750603
6.529984
9.240394
7.866329
6.753624
8.583270
9.058992
7.870235
# Label of molecule (6)
0.875138
# Number of Instances of molecule (7)
5
10.363587
9.060721
9.650098
10.692947
12.542632
8.997284
11.199819
9.192341
10.557716
8.911790
8.703385
9.843992
9.530293
9.962931
12.432476
10.735069
11.788081
11.166962
11.500682
11.719412
11.903952
8.902144
11.120375
9.658536
9.868219
12.214011
10.468324
9.951263
11.034289
11.762956
12.406422
11.977624
11.910130
11.298484
11.564371
10.827094
9.996050
9.836900
9.205369
11.801129
10.085697
10.136351
12.612848
8.888930
9.054179
12.424763
11.361233
9.985164
11.841513
11.724919
12.369541
8.406790
9.636770
11.486444
9.178175
10.880739
8.372806
12.385497
9.681650
8.588741
10.291442
12.340744
10.691318
8.823998
10.784246
9.324436
10.500616
9.275517
10.242737
10.183442
12.271976
10.024584
9.893585
9.871560
8.360073
8.964072
10.523464
11.360828
8.800265
10.038928
11.668615
9.322335
9.670139
9.181796
9.688232
9.712127
12.285540
8.423699
11.150969
9.999335
11.235653
11.494265
12.431450
9.350562
11.987767
12.655437
11.779554
10.219961
11.314451
11.664041
9.020324
9.497004
8.614102
12.228699
11.355514
9.115031
8.549691
9.628545
11.605301
8.972388
10.929447
11.342539
8.966878
12.905340
9.534665
10.354355
11.202943
11.701785
12.204816
12.455193
9.937167
10.083509
8.777308
10.197873
8.973833
12.649902
10.929192
10.706392
9.399296
10.290978
11.357679
8.777736
10.066292
8.849681
9.221032
12.331467
11.138977
12.229890
10.367829
11.942355
11.601286
10.085417
10.480497
10.369118
8.825927
10.930838
9.599161
8.719457
11.384302
11.341718
9.953032
10.723298
7.770864
11.388890
8.717738
10.356639
8.365894
9.172761
10.116076
8.834818
6.985075
8.344532
7.071414
7.871363
7.935446
6.534742
9.157888
8.392361
6.523896
7.926038
5.790231
6.188192
8.827311
6.567476
7.178457
6.750343
7.259148
9.269341
8.940962
8.161763
8.822184
7.493408
7.750496
5.303888
6.879620
6.023026
7.188101
9.088305
5.474425
8.860637
6.868755
6.489105
7.356929
5.617740
9.216971
8.259178
7.100208
8.273095
8.264306
9.198294
8.675695
6.171102
6.847026
7.851939
8.864422
9.139332
6.575655
6.514863
5.880322
6.596896
8.954024
6.414518
6.578219
8.531037
8.021134
6.947859
7.622929
8.214866
8.891644
7.850108
7.995499
8.543123
8.570101
7.165639
8.208884
7.859752
5.413266
5.900952
5.610050
7.152699
5.615787
8.230735
9.144093
6.491058
9.094531
8.133564
6.952132
8.578768
7.146352
7.333857
6.182333
5.301813
6.254234
7.421751
6.385464
9.141163
6.416959
9.028855
5.871899
5.328547
8.377102
8.932539
6.404508
6.620090
6.122150
7.966445
7.602298
6.560518
7.034898
8.609409
8.430448
9.116138
8.066790
7.129261
7.150868
6.548799
6.309046
7.157094
9.108936
7.408444
8.338771
7.565554
5.730537
6.515839
8.711829
7.526246
6.106403
6.814920
5.980300
5.623722
8.535920
8.965011
6.608493
7.897107
5.407407
6.551729
9.160695
5.687323
8.790323
6.789529
7.139515
6.164388
6.111042
6.591891
6.846782
8.408719
5.292779
7.882702
6.641942
7.921888
6.728248
6.025590
5.976028
6.443327
5.465270
7.245964
6.571627
5.945753
8.978195
8.918744
6.128132
7.684942
5.898755
6.599460
6.924665
7.180288
7.085314
5.672674
7.696417
5.999222
6.400601
5.491028
9.159719
7.221549
6.576876
5.883862
5.560121
7.458495
5.541444
7.905530
8.619785
8.301538
7.977783
7.796991
5.423261
8.094974
8.175176
8.494156
7.334086
8.414808
6.373363
6.760704
7.341166
5.303873
6.760582
7.814936
6.615558
6.914274
7.836299
7.169286
6.157659
7.205664
6.624226
7.032075
6.848842
6.891934
7.907834
8.264534
8.964995
7.626698
8.864895
8.766503
8.525285
5.308756
7.474837
5.167272
5.852474
6.377392
5.074984
8.697043
7.719474
8.976959
7.440779
8.110965
6.454665
8.861599
6.762780
6.545000
5.386639
7.919065
8.898709
5.175695
5.996765
5.185217
8.273324
8.559099
6.159246
8.227302
6.801721
8.524186
8.842311
8.767113
7.211402
5.498215
6.643757
8.423475
5.136387
8.134037
5.539720
6.446486
6.362743
6.118107
5.217444
7.317728
5.593554
5.033601
7.369976
8.094119
5.116245
6.153386
5.325968
7.368023
5.740410
8.036134
6.392041
7.720450
8.385876
8.803858
8.279305
5.539964
6.692709
5.973205
8.991363
8.085696
5.031648
8.717307
7.549059
7.665639
6.286081
7.430525
6.925260
8.808863
7.783319
7.475326
8.565691
6.303171
5.748711
7.981323
5.870785
5.977111
6.660115
8.576556
6.014466
6.096377
5.872494
8.921049
7.471664
7.255470
7.894284
7.921628
6.633625
8.633686
8.685080
7.501328
8.883938
6.495682
6.352367
7.797357
5.509690
8.807764
8.621967
6.665242
7.824580
5.846248
7.456648
6.361278
7.876095
6.674764
5.198157
8.281014
5.116733
5.361126
6.607868
6.625813
8.408338
6.814051
5.180334
5.876278
8.738304
8.109622
6.106388
8.942900
8.022095
5.187048
6.258370
8.873074
7.366680
8.785302
5.574511
6.987640
8.169439
7.497177
6.217231
6.321482
5.427900
5.815729
5.878231
7.243995
5.864025
6.389676
7.896802
9.227042
6.803629
8.243004
7.093432
6.360866
8.180013
6.077898
5.324702
6.732337
8.959944
6.027604
8.874493
9.008896
5.522095
6.983077
6.916303
7.872509
7.729804
5.666997
8.801614
5.511231
5.775033
8.012650
8.556001
9.104114
6.172872
5.721076
5.963271
8.170614
5.278069
6.874798
7.610172
7.664983
6.701209
7.479553
5.265984
6.686804
6.996994
8.812113
6.974410
6.683020
8.002152
7.446471
6.230613
7.017869
8.195883
6.836100
8.619480
7.785348
7.459532
5.324702
5.289666
5.737800
5.608890
5.462157
8.639134
7.208060
9.075915
7.500427
7.584780
7.897290
6.112568
7.943190
5.796030
7.405942
8.894635
6.026872
8.262047
8.382046
6.897259
7.004196
7.569887
8.160848
5.920911
9.109485
7.270318
8.772683
9.139027
7.076830
5.702765
9.192007
6.544832
7.089648
5.657598
5.704108
9.171987
6.033464
9.247673
8.264611
6.462310
5.929579
7.367733
6.724769
7.159352
8.422330
7.113575
6.800211
6.097308
8.196615
6.537507
5.656133
5.266228
6.200461
8.114216
6.985153
7.523743
5.546876
8.293420
5.451903
7.331111
6.969771
6.513092
8.380337
8.887432
6.710730
7.048509
8.557588
8.037309
5.709967
9.072130
8.030473
8.327357
8.976669
6.299585
6.769448
7.585391
8.014115
7.597110
8.073687
5.398556
9.175161
7.923536
6.594516
7.865062
8.821757
8.985214
6.850505
7.993362
6.164083
6.974654
6.109516
6.126484
6.654576
6.772011
5.513672
8.763283
6.812174
7.981277
7.320612
6.153218
5.349971
6.177877
6.137471
7.040941
7.484069
6.742714
8.022294
6.932661
7.295709
6.655431
5.326533
8.262047
7.024216
9.188101
6.522858
6.294824
7.685003
9.246330
7.600284
6.722816
6.033097
5.613895
7.505066
5.935072
8.989242
7.183035
9.251946
8.708228
9.249992
8.202109
7.046068
6.364528
6.451567
5.707282
7.528871
8.793313
8.708594
9.477294
8.078448
7.432188
8.893780
6.885662
7.039109
6.585482
9.537111
7.028245
6.756874
6.453154
8.215049
6.497223
8.292810
7.244804
9.308466
9.179800
6.692785
5.755989
6.001724
6.454985
5.685919
5.779916
6.399686
6.164083
8.688452
5.729255
7.636540
8.728614
8.985702
8.845683
7.851512
6.793130
7.971267
7.368221
7.907666
6.765419
8.313562
6.039567
8.727393
8.630345
6.928388
8.322108
8.118976
6.412626
6.630772
6.699377
6.973067
5.662481
7.341243
8.440764
8.698462
8.339686
7.722358
6.198996
5.776498
9.471557
6.119404
8.821757
9.308100
7.958937
7.681341
5.745979
7.426328
7.906323
6.535310
8.356899
8.453093
8.848979
5.892834
5.678350
6.671422
9.255119
8.958602
5.779305
6.591220
5.675298
7.519715
8.261437
7.580874
7.916578
9.090442
7.210623
8.742531
8.613132
9.485229
5.984024
7.902905
7.572329
7.697699
7.207083
6.598178
9.268426
5.958510
7.356990
6.924238
5.858654
7.847972
7.307184
8.130329
8.100299
9.338862
8.208090
8.829447
8.538057
7.643254
8.078082
6.700964
7.342830
6.739662
8.480560
9.560549
9.171621
8.454558
6.662511
5.671880
9.427000
7.973342
6.528596
7.176199
6.290185
6.656407
7.826121
6.513581
8.902081
9.035142
6.915571
7.711371
6.067278
8.861309
8.503510
8.415128
5.858043
7.087817
5.709601
6.536164
6.490143
6.653233
7.846019
7.392636
8.847758
6.946089
# Label of molecule (7)
0.844231
# Number of Instances of molecule (8)
5
10.575967
9.081045
9.660549
10.629077
12.477618
9.075219
11.323837
9.229215
10.311954
8.698300
8.592803
9.822644
9.366242
9.913642
12.459840
10.711074
11.643143
11.099657
11.712694
11.840655
11.978116
8.913710
10.893004
9.642768
9.857620
12.164389
10.549658
10.139595
11.081454
11.852861
12.259204
12.097386
12.170715
11.283921
11.584666
10.689535
9.819615
9.910653
9.091733
11.970508
10.203164
10.229827
12.746078
8.776016
9.095413
12.468656
11.468775
9.959967
11.811476
11.588157
12.427294
8.470233
9.801186
11.484061
9.339657
10.790634
8.361463
12.504599
9.798616
8.413134
10.218866
12.320700
10.728770
8.681899
10.849017
9.497499
10.460403
9.243698
10.249546
10.063207
12.067378
10.254047
9.700805
9.969273
8.531740
8.938784
10.650019
11.431464
8.674639
9.982910
11.562877
9.367922
9.895061
9.291317
9.706067
9.450488
12.265788
8.510492
11.131394
9.908508
11.155004
11.586299
12.425231
9.315740
11.792741
12.666661
11.736265
10.015915
11.136871
11.764696
9.075642
9.429997
8.722314
11.946606
11.558905
9.021814
8.821927
9.612669
11.900267
9.074910
10.643547
11.461337
9.118779
12.619981
9.264413
10.127066
11.675972
12.083338
11.862810
12.732965
10.187384
9.996006
8.917140
9.994711
9.282126
12.302488
10.960636
11.161795
9.095781
10.252072
11.834218
8.610772
10.311745
9.147018
9.237738
12.431783
11.069789
12.552119
10.558237
11.521659
11.361565
9.590786
10.555318
10.329769
8.575665
11.015206
9.993161
6.495280
10.906156
8.967464
8.440995
10.585017
7.045237
11.635426
10.764869
11.229967
8.409836
11.350319
11.257398
7.760006
9.019123
6.696262
8.250473
5.889603
7.728162
6.602658
8.185553
7.821528
5.236366
7.954344
6.191351
7.172826
7.732414
8.766625
7.688467
7.474715
5.229408
6.735679
8.105106
6.382275
5.774590
5.569872
6.831019
5.188513
8.359874
5.404096
7.308329
6.813929
7.054903
7.472762
7.673940
8.256600
7.381695
5.181555
8.834254
8.879177
8.805933
5.953307
8.843410
5.906796
5.220740
6.220893
6.461135
6.509964
5.298502
7.944823
6.766198
7.849605
8.583514
7.028169
7.697867
6.456496
7.202124
6.006409
8.403943
8.323984
9.066317
5.384320
6.267037
5.083529
8.442763
5.996399
7.486801
7.644642
7.765252
8.767113
6.090274
6.667562
8.563616
8.242561
8.248909
7.249001
7.385235
6.272652
8.772607
7.193335
6.583819
6.215033
8.661763
6.243721
7.849605
6.038148
8.585955
7.651234
6.357982
6.698080
7.169164
7.452010
5.409101
6.162786
6.954314
8.833644
5.435591
7.461409
8.921659
8.959868
7.251686
7.130100
6.438063
7.632435
7.420270
8.432875
7.510483
5.163610
5.611499
5.729789
8.218390
6.835047
5.829157
8.369640
6.202094
5.316568
7.378643
6.479690
5.080599
6.422071
7.452498
7.030366
6.672933
5.575732
7.208106
6.547319
5.900327
8.364025
7.212500
8.847316
5.243202
6.548784
8.129521
6.172185
7.626576
6.917325
6.523637
8.097415
8.611713
8.341075
5.656545
8.587420
6.766076
8.422620
7.150975
7.575304
5.089633
7.102145
7.395978
5.441328
6.368725
8.600604
8.570330
6.764245
7.336039
9.073153
8.157231
7.720450
6.510575
7.349223
8.827052
7.508286
6.591021
6.133122
8.561663
6.169622
6.279611
9.040803
8.896023
5.184484
6.410718
8.846706
5.152135
5.215369
5.258827
8.318247
7.621036
8.729225
7.721870
6.106830
8.231162
5.111927
5.390988
5.754891
6.173971
7.416562
5.545412
4.959212
6.784829
6.558992
6.927412
4.893658
7.699408
8.529389
6.305689
5.493286
5.615848
7.615909
7.154469
5.736824
8.360683
5.840342
5.324702
8.078692
7.133717
7.978713
5.583132
7.402768
5.809214
7.542665
4.892804
6.875774
6.165181
5.098376
8.310755
5.073962
5.918592
6.294946
5.378170
8.757424
8.439177
4.978744
4.878399
7.668889
5.018662
6.769570
7.835765
5.730476
8.570406
6.472198
8.632298
5.013535
7.630802
6.698645
8.116901
4.858135
7.544496
7.077319
8.581515
8.513886
7.700995
7.421445
6.478912
7.681707
5.702155
6.235496
8.758644
5.326777
5.335078
5.930799
8.694189
7.142018
7.223319
6.128071
7.078173
6.032731
7.033372
8.420499
6.659215
6.002091
8.111530
5.972671
5.696417
5.807627
5.424070
5.331416
6.505158
8.768532
7.678533
5.820811
4.870952
7.094165
6.498321
7.899731
8.205771
7.113208
7.528626
7.854198
8.319788
7.774117
8.344691
6.201926
8.687719
6.795694
6.042741
7.181570
8.080279
6.840007
7.382992
8.703467
8.439543
8.084552
8.363491
8.136189
4.869488
7.567202
8.098956
7.304254
5.621220
7.679876
7.878491
6.071795
7.943068
6.185568
8.278649
7.886670
5.673833
6.134297
7.205741
6.660558
6.454131
6.051653
7.743110
6.361354
6.428129
8.775979
6.677648
6.689123
8.313684
5.319819
8.582003
6.215232
6.714393
8.129231
8.325159
8.355800
6.548982
6.115375
6.888592
5.557253
6.472198
7.837352
7.362117
7.067309
5.163686
5.205069
7.993973
5.666265
6.358913
8.084063
7.170461
8.735817
5.081439
4.917249
6.740181
8.395871
5.663610
8.455931
5.962203
4.957289
5.900433
6.807810
6.777535
8.542726
5.750771
7.280725
4.887463
5.530915
5.781899
8.286493
5.819864
5.741249
8.102649
5.299951
5.654576
7.825175
5.351588
6.778268
5.491729
6.556337
8.614261
5.415922
5.537751
6.395566
7.145344
8.112049
6.682562
7.702490
6.770333
6.021043
5.444121
5.971236
7.842631
8.067370
6.156178
6.465758
5.629063
7.293786
8.272088
6.626286
6.001633
7.421598
8.660894
8.626347
7.307215
6.996536
4.771126
6.451842
5.293237
8.496094
6.537416
5.879559
7.963363
5.771767
6.901685
5.728187
5.235496
5.203757
6.829905
6.758492
8.283319
5.939619
4.693243
8.596438
7.428190
6.595767
5.893963
5.055071
7.464324
7.793924
6.605289
6.230155
5.286401
5.908246
7.506928
5.742836
4.698614
7.399625
7.385220
5.507721
5.276391
7.109210
8.476806
8.398068
8.159291
7.889630
7.428678
7.184164
7.648412
4.945570
7.751442
8.121815
7.482879
8.261589
7.638646
5.562288
6.671819
6.489807
7.028764
5.962203
5.755165
5.674596
7.784768
5.665685
6.369808
6.187063
6.865062
4.835948
6.995071
7.246544
8.362789
5.909711
7.753151
6.401914
6.285211
6.950270
7.138752
7.350429
7.953719
6.273858
7.554537
7.465300
5.891644
4.724738
8.524415
6.411557
8.083728
5.973312
8.463378
7.221030
6.473693
5.213157
5.876141
7.204428
5.582797
6.631169
4.860118
6.073412
7.117267
8.025864
7.789163
8.649541
8.444945
4.949721
8.050645
5.533357
6.813669
4.750374
5.713294
5.110126
7.186728
6.883374
6.999832
8.265862
5.569857
7.875225
6.437925
7.189413
8.924772
7.993591
5.374248
5.567003
8.433302
8.384350
8.004334
7.557176
5.598132
7.115024
8.877529
8.164861
7.905942
7.453291
6.605365
8.652425
6.728294
7.395062
5.144871
7.744682
7.926817
7.857479
6.069948
5.630604
5.262551
6.582537
7.337687
7.612964
7.486251
7.127354
6.420057
7.781549
7.980651
6.314341
7.678884
7.085238
7.835994
5.518052
7.857112
6.177252
5.227393
5.162572
7.562914
7.408368
5.973510
7.805475
6.620746
6.344493
8.148625
5.181372
7.164708
7.182043
7.625904
6.583392
6.348888
6.436659
5.424177
7.953551
6.549821
7.280923
7.734916
7.060457
8.936735
8.905240
7.503464
8.137394
6.282846
5.276467
6.440687
5.356548
8.895962
5.671865
6.338878
8.514115
7.537767
7.358928
8.567095
8.300729
7.214393
8.800867
6.621113
8.534135
7.706229
5.758782
6.604633
6.726585
8.715659
6.669576
8.512650
6.364147
7.507859
5.669179
7.196448
6.270760
6.917753
5.641957
5.882443
6.434339
5.599353
5.667348
5.121311
7.668508
8.393139
5.239479
8.040834
8.484695
8.683920
7.636769
8.779260
8.551225
8.627644
6.813135
8.972991
6.112064
5.119724
8.189032
5.174413
6.743065
7.380291
7.715140
8.073916
6.817408
6.031251
7.585376
8.401196
5.058199
7.542161
8.971648
6.382580
5.551988
5.916501
8.159001
7.627125
5.597278
5.496323
8.453322
6.316660
7.765069
6.758080
6.236824
6.577898
5.544298
8.976775
7.548509
6.906278
5.949705
5.631214
5.561144
6.521989
6.463881
6.427625
7.334147
6.528825
5.691031
5.814203
8.211859
8.754479
5.097629
7.863582
6.248177
5.143406
5.211890
7.397382
7.027863
8.581744
5.661489
# Label of molecule (8)
0.843079
# Number of Instances of molecule (9)
3
10.404017
9.138048
9.570635
10.463932
12.552260
8.916100
11.385643
9.101932
10.396079
8.773861
8.594099
9.837382
9.464367
9.810439
12.530531
10.597519
11.650404
11.148934
11.795191
11.561819
12.015476
8.931458
11.155845
9.623330
9.665251
12.378412
10.548237
10.134616
10.865273
11.759254
12.450254
11.923244
11.996078
11.135326
11.658796
10.963314
9.845243
9.717764
9.078715
11.752231
10.205509
10.198519
12.717618
8.687970
9.170355
12.445160
11.486032
10.116403
11.854710
11.567524
12.543431
8.377814
9.691509
11.742915
9.397804
10.900546
8.512747
12.568795
9.665532
8.529323
10.342020
12.372208
10.908443
8.873949
10.763753
9.415617
10.393775
9.198189
10.316015
9.892762
12.068399
10.029065
9.905558
9.999862
8.516862
9.011749
10.570609
11.336328
8.545993
9.895470
11.642123
9.270616
9.850814
9.343944
9.629227
9.690715
11.995941
8.510759
11.098841
10.039606
11.127104
11.439713
12.257358
9.310572
12.005089
12.477844
11.777644
10.145059
11.233124
11.939681
8.819273
9.432924
8.902212
12.052604
11.584801
9.180672
8.980072
9.470670
11.780587
9.303096
10.662836
11.131836
9.063170
12.551372
9.070884
10.194998
11.461857
11.677755
12.135559
12.292563
10.122941
9.976323
8.774147
10.375070
9.430519
12.273125
11.155418
10.868231
9.090154
10.394697
11.826286
8.483266
10.073548
8.723380
9.553916
12.697515
10.666593
12.410240
10.318375
11.604170
11.485118
10.088481
10.174827
10.334457
8.375343
8.632237
9.602257
6.917037
10.384505
11.680087
10.148084
10.034638
8.146898
12.670330
7.848046
10.022759
9.993021
10.293465
9.785043
9.122193
5.871307
8.711115
10.151111
7.267087
7.830770
7.436742
7.649236
6.693396
7.864574
5.690435
6.425810
5.816660
8.998520
7.905347
8.235679
6.155171
6.425565
5.995499
6.721107
6.745033
5.958144
7.310480
8.282311
6.160298
6.946944
6.992599
5.238517
8.379849
8.001541
8.730201
6.201193
8.646092
7.859081
8.690893
9.031724
5.191153
5.776254
7.509095
7.761177
8.705542
7.820261
5.204093
6.846232
7.422666
7.431822
7.901685
6.134785
7.697089
6.638707
5.235832
5.918348
7.949538
6.290796
7.306207
7.445494
5.853282
7.694647
8.063189
6.270531
8.639256
6.021134
7.999588
5.814096
6.391018
5.861705
7.021165
8.508881
6.210105
7.307794
8.371548
7.906201
7.120167
8.929060
8.487640
7.119434
5.590945
8.024735
5.658696
6.977950
7.553285
8.523408
6.366848
5.266106
8.780618
8.906598
6.179708
6.424467
7.514832
8.530610
8.074908
7.086474
7.206717
8.721168
7.068529
8.825785
5.250725
7.017624
8.023026
7.489441
5.585696
8.940291
5.509766
6.493316
7.037889
7.654851
8.602390
7.451476
5.281854
7.912549
7.472839
5.517945
8.293176
8.636937
8.668920
6.813883
7.167165
8.535005
7.945753
7.315973
6.182638
5.105823
7.526917
6.579867
5.979751
7.424497
6.670324
7.676214
7.731880
9.072130
8.414029
8.710791
8.184164
5.590579
7.376034
5.306879
5.434202
6.836344
5.484985
5.423215
5.330195
8.606174
8.514618
7.882763
8.360927
5.912122
6.297143
5.986709
6.912885
8.280358
5.493896
7.591494
8.770119
7.447203
5.793100
9.019272
8.730811
5.829844
8.413419
6.180929
8.216269
8.145100
7.786935
8.284997
8.746803
8.550996
7.297418
5.505982
7.159841
7.687689
5.947157
7.991165
6.445952
7.314386
5.815195
5.395749
8.020951
7.323420
5.435423
7.361507
8.328089
7.836985
5.804209
7.694769
4.861797
7.787301
4.846416
7.749336
6.520295
7.269829
8.699927
6.470855
8.348842
7.438658
7.628727
5.227287
7.215140
7.364193
8.679296
5.536622
7.414365
7.224906
6.953169
8.068072
5.078722
5.212516
7.372127
7.292169
6.267479
5.520508
6.810465
6.154561
7.609561
8.795877
8.470061
5.146840
6.378689
6.424345
6.370998
6.152852
4.871197
6.029679
7.836375
5.441282
7.964187
5.555788
7.843089
8.183554
6.728065
7.312067
7.115040
6.868938
6.969771
5.352657
7.833445
7.993606
7.579165
5.569216
6.839885
5.398068
7.555971
7.867138
8.205893
8.628269
6.592074
5.803720
7.044603
8.694189
6.081927
5.062975
6.440825
5.603030
7.438658
8.140339
7.371639
8.040849
6.589755
6.612949
5.495239
5.575686
5.527589
8.373012
6.681677
7.762520
7.789254
5.194449
7.161061
6.517853
6.740638
8.012528
6.163106
8.146077
5.541871
7.287896
4.925031
7.386898
5.665410
5.832530
7.941115
5.862560
6.845500
5.471923
8.328700
7.298029
7.330866
6.916913
5.187490
7.889233
7.318415
8.222251
6.826334
6.195822
8.441008
5.206290
7.730049
6.931196
8.184164
7.206473
5.145741
7.026780
6.109394
7.545228
7.160939
6.343776
8.755348
6.082537
6.146992
7.410215
6.094134
7.228935
5.447508
6.553865
6.418363
6.794717
5.181631
8.811014
6.531404
7.050096
7.040941
4.981796
8.118000
5.370968
7.952589
7.210868
5.169912
7.846141
6.485382
5.463988
5.341060
5.219596
7.872875
5.280755
6.106220
6.545320
7.527772
5.173818
8.601657
7.925977
6.925459
# Label of molecule (9)
0.837192
# Number of Instances of molecule (10)
3
10.600896
9.005490
9.712195
10.706723
12.322804
8.913208
11.256286
9.115712
10.450294
8.875744
8.684674
9.996316
9.466338
9.920479
12.635129
10.698460
11.606912
11.099566
11.590225
11.722870
11.837736
9.015979
10.908778
9.639053
9.926925
12.174191
10.497636
10.089719
10.813560
11.864787
12.214293
11.950222
12.071800
11.292832
11.548246
10.749489
10.045882
9.767599
9.104803
11.879239
10.201663
10.251063
12.267348
8.998051
9.048667
12.748715
11.372610
9.888189
11.876506
11.869116
12.724835
8.239162
9.835618
11.342352
9.383921
11.035572
8.159290
12.672405
9.699859
8.529452
9.848162
12.286476
10.966316
8.879340
10.738636
9.078818
10.416535
9.026540
10.564206
10.172855
12.370295
10.342501
9.520813
9.808908
8.538463
8.661513
10.409615
11.416207
8.408418
10.156235
11.850005
9.141282
9.476006
9.303208
9.710635
9.700948
12.038962
8.371589
10.887354
10.247514
11.459226
11.710190
12.604290
9.512505
12.156850
12.327496
11.603877
10.273263
10.904790
11.522981
8.899651
9.608130
8.812360
12.306348
11.709936
8.827573
8.649683
9.733008
11.813033
9.039406
10.664249
11.273529
9.085636
12.679436
9.429597
10.218121
11.743339
11.769125
12.034017
12.490463
9.730782
10.292357
8.728933
10.123663
9.031906
12.503215
11.195370
11.137996
9.463728
10.074089
12.006729
8.746227
10.529432
8.852972
9.281564
12.065171
11.100204
10.831701
8.714362
11.941508
11.007226
9.851926
10.621238
8.681650
8.811961
11.077467
9.682057
7.157313
11.978526
8.545888
8.441847
11.500484
7.800961
9.603495
10.236772
9.378935
9.927255
8.606015
10.851163
9.231294
6.681842
7.658855
8.613511
7.035547
9.929720
9.024996
5.497314
8.558199
6.764931
7.049120
5.082629
6.112323
5.164174
8.701392
7.667302
7.448668
4.896832
5.028794
8.744850
5.223991
5.014512
7.690985
7.527528
4.826640
5.831431
5.966933
5.453856
7.924146
4.943342
5.081164
6.937910
8.410245
8.676122
6.364650
8.235679
5.124744
7.838939
8.627903
6.304468
5.723151
8.658177
8.119098
5.528932
6.067644
7.764473
8.443571
6.189108
7.518006
6.110614
5.819712
8.545991
8.495819
6.693396
5.044542
8.418912
8.696509
6.955611
7.546571
6.130879
6.325465
6.742592
6.898114
8.695288
6.732459
6.688757
5.165639
7.119922
6.818644
5.907971
5.468749
8.703711
5.593387
5.864269
6.126850
6.199973
5.253655
5.297601
7.765694
7.722846
5.162221
5.078478
6.760292
5.268914
5.098621
7.867382
6.389065
5.733894
8.159505
7.454649
7.073290
6.293970
7.681829
8.654149
7.077685
6.030412
8.564791
8.627293
7.047411
7.671697
7.364559
8.510956
5.755013
5.326777
5.538697
6.226341
8.435026
8.087237
8.212729
7.341121
7.076830
7.368954
6.845378
4.862041
6.056536
5.873791
6.168477
4.832621
8.477386
8.042070
5.773446
8.609104
8.597140
5.871715
8.722755
8.692602
5.716559
7.981399
7.558412
4.990219
4.903302
5.788339
8.086016
6.381130
7.927198
8.681005
5.304437
8.462004
7.780709
6.056658
7.861522
8.346889
6.161275
8.102985
5.406247
7.398007
7.289483
7.195364
7.216117
6.760048
7.437193
7.787423
6.470977
6.574007
5.542726
6.668126
6.552400
5.747444
6.286401
7.461241
7.739937
5.151845
5.002304
7.242363
6.681066
7.127125
5.800546
7.147633
7.010666
6.163961
6.276147
4.849467
5.492065
5.273171
8.556352
5.995239
7.912778
8.441359
8.624592
8.192938
7.269204
5.787103
6.057131
8.877529
9.207617
8.859218
7.148228
8.081118
8.131535
5.755608
8.008118
5.858760
7.485275
8.178900
5.720695
7.729667
9.063204
5.481307
7.649953
8.297678
7.906430
7.579760
7.269082
5.926511
8.159368
8.610187
8.889126
7.345256
5.262307
9.201514
5.659658
7.057039
5.856197
9.240455
9.219581
8.429640
6.771264
9.003754
7.369427
7.338054
8.478469
6.532609
8.144230
9.239845
8.375561
9.125217
6.657857
8.552080
5.285379
6.818873
9.097385
9.210669
8.538652
5.743156
6.239387
7.282266
7.018708
9.211768
6.866359
6.506973
7.541917
8.433180
7.454756
7.646046
5.948607
6.713889
8.513260
6.507950
8.281320
7.027741
5.942991
5.530381
5.421247
6.827784
7.797174
5.791375
6.564470
5.976073
8.813562
8.325388
6.905057
7.664602
9.095676
7.618336
6.907620
6.203742
5.317484
6.158696
6.538102
5.553697
8.826746
8.917203
7.832331
6.471572
7.020417
6.630757
9.174535
6.152226
6.370983
6.768090
8.662313
8.235176
5.473495
9.048067
7.931944
7.054231
8.493362
8.387890
5.820429
8.004456
7.385662
6.157842
9.237892
7.900327
7.264687
8.613605
6.625629
9.202857
7.295450
5.383404
7.376629
7.986633
7.484054
6.887112
8.589801
5.526475
5.742546
5.556993
8.536699
7.374554
7.600391
7.740287
8.214179
7.804621
8.940641
9.155370
8.357006
7.500046
6.134159
8.778161
7.287027
6.357311
5.947752
6.033082
6.973907
7.282876
5.599841
8.163884
8.680136
8.856288
7.340129
8.658406
5.568468
6.735984
5.927366
7.603565
5.645131
5.683096
5.381695
# Label of molecule (10)
0.764357
# Number of Instances of molecule (11)
4
10.502635
9.050403
9.505758
10.641028
12.388382
9.092494
11.414116
9.165879
10.448854
8.912073
8.737563
10.055669
9.380140
9.751289
12.682395
10.751868
11.521447
10.945846
11.615855
11.527118
11.727839
8.822324
10.902106
9.585137
9.898804
12.128367
10.463606
9.889289
10.856496
11.836205
12.241613
12.209367
12.067668
11.134297
11.452922
10.743458
10.098199
9.714750
8.987290
12.039389
10.043823
10.208241
12.473376
8.890544
9.186168
12.389634
11.412715
10.154662
11.741912
11.427675
12.524781
8.319694
9.582825
11.646205
9.333805
10.991794
8.494207
12.363330
9.683383
8.522744
10.111775
12.344931
10.580968
8.888404
10.710947
9.292550
10.653262
9.044392
10.433809
10.056661
12.047074
10.091577
9.758144
10.172429
8.147753
8.946340
10.547886
11.326493
8.782081
9.847124
11.274617
9.028148
9.690892
8.952137
9.224704
9.289075
12.105863
8.631735
11.189412
9.651355
11.458236
11.676522
12.008922
9.375244
12.185021
12.657054
11.776421
9.873982
9.046871
10.720386
8.046004
8.167908
8.392272
9.241496
10.144196
7.531549
8.414329
8.085979
9.167909
7.305217
8.915521
10.215593
7.673191
10.571069
7.512295
9.881171
9.019025
10.910833
11.269309
9.507084
9.348367
9.637953
8.825620
7.910084
9.419854
11.659237
10.203828
8.031776
8.425680
7.556939
9.465750
7.230621
8.601828
8.613779
7.898238
11.768327
9.586752
12.177208
8.448464
9.396770
11.278725
7.570336
7.623903
10.161664
7.127609
8.648526
7.380996
8.426902
9.952754
8.887451
9.708131
10.726249
8.894460
9.340851
10.591828
8.490711
7.910648
10.171562
8.832868
8.583167
8.197603
6.304232
9.819778
5.834532
9.025072
7.809602
5.584964
9.026231
7.842479
7.844432
8.502655
5.543092
8.818827
8.337489
6.117084
7.614078
6.652623
7.322810
7.655217
6.975387
6.347194
6.805094
8.360805
6.314112
6.069109
6.805582
8.371426
6.053362
8.927473
8.501312
9.243278
6.815836
7.837840
7.732978
8.499359
8.443449
6.848796
6.754433
6.576327
8.445280
8.303308
6.099139
6.544832
8.752174
9.210807
8.439299
8.977889
5.648686
8.206381
8.311853
6.343165
7.761910
6.469634
7.586612
7.293756
8.978011
7.980667
6.551912
7.231376
9.164663
6.485504
6.492096
7.519593
5.573489
8.549532
5.632450
7.719428
7.796213
8.069414
8.326136
9.223258
7.150319
5.623051
5.358272
6.662755
5.370846
8.029618
9.242790
5.465575
5.480834
5.494751
6.385159
5.933973
5.715949
5.718757
5.989273
8.223594
7.380306
6.338527
7.579531
6.594394
5.505493
9.081408
7.016037
7.311213
9.190786
9.005478
6.877483
6.566317
8.495697
6.199484
7.084887
6.801920
6.765297
5.320551
5.644169
7.804880
7.257988
6.340602
5.379391
6.950362
8.953108
7.880444
8.534028
8.969588
8.414518
6.504059
7.113819
7.614078
6.582797
5.348994
6.848308
7.596255
5.372066
7.467833
8.642430
9.175649
8.947615
7.255181
5.396481
7.769723
6.556429
7.335871
6.068987
6.964034
7.789377
6.289331
8.854595
5.294183
7.146657
8.584445
7.356380
7.177419
8.783425
6.100482
7.624332
6.366604
8.309900
6.609287
7.935743
8.304285
6.521882
6.593051
7.193289
7.747749
7.935133
7.772774
5.815439
8.045244
6.999313
6.723548
8.993637
6.433744
6.868084
8.950056
8.191366
7.735664
5.596438
8.797830
6.761635
6.829142
6.645299
6.117435
8.414991
8.117985
6.248299
5.268288
6.579608
7.044710
5.156102
7.358440
5.859737
8.877529
5.174902
8.785119
9.091159
7.349895
8.705283
9.078707
8.227119
8.061220
7.197790
5.888913
7.045930
7.739433
8.090762
5.368999
6.286142
6.340220
8.863735
8.333567
8.088198
7.357463
6.083987
6.564226
6.614399
7.718925
5.320536
5.639882
5.724723
8.642903
7.799615
8.664388
6.581683
8.831996
7.677175
5.267800
6.059572
7.375774
7.804865
8.257149
8.834681
5.741447
7.861751
6.288217
6.028321
8.224433
8.728965
6.939116
7.281289
6.233772
6.981597
6.554338
7.132237
5.791864
7.372600
5.238502
8.575274
7.616016
7.183264
7.374187
8.673177
7.163732
8.317209
6.036378
9.099826
8.013123
7.010407
7.682424
8.487381
7.954039
9.034150
7.488693
7.453047
7.164953
8.264595
7.711844
7.180578
5.852168
8.494705
5.447859
8.431593
8.722983
6.363781
6.165288
7.861507
7.670827
7.278726
5.385601
6.515030
8.046937
8.202338
6.888211
7.376751
5.891476
7.184362
7.813654
8.850673
5.502182
5.509507
7.039583
7.045198
8.712485
6.337535
7.206214
5.737419
5.256325
7.710135
6.764183
6.892239
7.594653
5.801019
8.421949
8.610920
7.575976
6.282601
8.364940
7.384320
6.309458
7.684256
8.625446
7.526658
6.623676
6.619037
8.973968
6.662740
7.485275
8.752037
8.709677
8.145695
5.755119
7.384808
6.724876
5.278909
8.654012
5.534288
6.217048
8.218329
6.315439
7.377117
8.425001
6.428236
7.798395
6.936186
5.762200
5.568224
5.936522
7.885434
6.726218
7.684256
6.398572
6.345958
6.953154
5.577868
6.333750
6.549699
6.798242
8.233467
5.780892
8.138997
6.570345
6.688269
6.466704
7.576968
6.124165
8.286462
5.671514
6.268090
5.984390
6.286767
6.015763
7.895337
8.152425
6.030534
5.712897
7.895337
8.290613
6.162130
7.164968
7.586978
7.970656
8.863140
6.706336
5.478881
7.506897
5.952895
5.870617
6.633213
6.750160
8.732765
6.556429
8.957137
7.219169
7.445372
6.465728
7.300348
6.940962
8.228111
5.192251
6.232322
5.378414
5.432737
5.331538
6.373440
5.818613
5.187368
6.990402
7.156178
8.596896
6.075579
8.069658
6.891034
6.531526
8.807840
8.695288
7.012741
7.945387
8.760109
8.173421
5.379513
6.647252
7.254692
8.842509
5.504028
8.250084
7.458190
7.200369
6.587436
8.199789
6.771157
6.679479
5.233757
6.889569
7.586367
8.444182
5.719611
5.236198
6.287133
6.588412
5.692022
6.091327
6.365383
8.105670
6.172384
8.863994
7.529237
8.007523
8.739479
6.729041
8.679785
7.965651
8.766945
5.797006
8.629490
8.852886
7.591372
7.619083
6.436796
5.556276
8.483978
6.403348
5.234977
6.440458
7.302789
6.317652
5.426145
5.832896
6.698645
6.251732
7.118091
7.908399
8.752419
5.417478
7.679144
6.346461
6.914472
5.158315
6.284204
6.138081
8.126789
8.345302
5.328120
7.914624
5.997330
7.733833
8.582369
5.176382
7.905469
8.657201
5.966201
6.794107
8.910993
5.429930
8.814066
7.158132
7.344295
8.837504
5.505982
8.352626
6.949995
8.087115
5.343135
8.726783
8.460784
8.594211
8.539277
6.240257
7.475524
8.980331
6.204489
6.957076
5.517579
6.656163
8.196615
7.062181
7.148244
7.366634
6.714026
6.777261
6.007950
8.070513
5.506348
8.549654
8.664403
# Label of molecule (11)
0.595692
# Number of Instances of molecule (12)
5
10.511003
8.885457
9.521998
10.594778
12.261434
9.129196
11.395660
9.383270
10.373397
8.801865
8.737605
9.926630
9.470110
10.008973
12.480059
10.481022
11.538585
10.951916
11.500827
11.543358
11.872587
8.924567
11.055767
9.493357
9.683876
12.220789
10.596140
9.883805
11.060987
11.777907
12.325454
12.175937
12.050135
11.254238
11.519744
10.896877
9.879640
9.749138
9.064308
11.832663
9.959082
10.420555
12.455376
8.834856
9.314975
12.552878
11.724207
9.859893
11.810846
11.436266
12.262548
8.065733
9.783095
11.339855
9.241865
11.046635
8.240993
12.296682
9.495229
8.608827
10.360438
11.918476
10.524099
8.947854
10.646195
9.277383
10.107582
8.985058
10.023976
10.255276
12.035202
10.316748
9.664890
10.043254
8.575692
8.786747
10.232490
11.134352
8.725137
9.846246
11.406203
8.999557
10.001065
9.119316
9.374778
9.383180
11.892262
8.169729
11.281634
9.779037
11.206848
11.456899
11.996354
9.467462
12.115943
9.936019
11.269422
10.170687
8.375483
9.700338
7.087127
8.963380
6.310228
11.927173
8.687903
7.129756
7.424764
7.356617
11.600776
6.681459
8.871481
11.267679
8.315550
10.158253
9.468239
10.052382
10.192916
10.581452
9.405552
9.992766
7.946852
8.423458
8.020725
9.404644
7.836412
9.548613
8.657229
11.112146
7.419751
10.487264
9.470747
6.800781
8.433201
8.149217
8.339172
12.209878
10.276646
12.923191
10.282146
11.809694
9.948791
7.979464
9.839669
7.712928
7.082424
10.398461
8.423456
7.451205
11.537121
8.409712
8.785442
10.987956
8.827721
12.277398
8.893315
8.894141
10.035783
9.587430
8.840554
6.530999
8.322564
6.639056
7.730032
7.996177
8.241420
8.784003
5.456297
6.735145
5.618168
8.603610
5.297723
6.837687
5.769173
8.243004
5.317499
8.587863
7.720405
6.656896
6.887371
8.883038
7.078906
8.364467
5.810801
7.155324
8.917219
8.743263
7.794626
8.087603
7.100513
6.991501
6.600742
8.415616
8.982406
8.114704
5.753548
7.191702
5.340449
8.308802
6.675207
8.883404
7.431944
8.118976
8.127155
6.683630
7.038743
7.744819
7.830393
7.406919
5.382443
8.870708
7.140919
5.345820
6.778726
5.393307
5.654668
6.464629
6.911298
7.423643
6.617466
6.302149
7.596500
8.935896
8.013871
6.962447
7.915723
7.442076
8.211386
8.564669
7.589908
6.062761
9.034532
8.530366
8.471648
6.373196
5.142567
8.080401
6.028336
6.396023
6.588778
7.319025
8.694189
8.119098
7.431822
8.278283
8.962264
8.910382
7.279107
7.297540
8.096026
5.207633
6.633946
8.116169
6.331568
6.855388
6.922163
5.049303
8.447356
6.465606
8.073565
7.627506
8.576266
6.177511
6.533235
8.069536
8.134968
6.189718
6.577792
6.968429
6.745033
5.441893
7.810739
6.561800
8.021683
6.819010
5.712409
6.964278
8.104816
5.254265
8.120685
6.735145
8.806131
7.106128
8.514985
7.157155
7.250053
7.182546
6.980880
5.600955
7.881054
7.789865
7.729438
5.351680
8.712622
6.179098
8.045488
7.269585
7.694159
6.766640
7.540956
6.663121
5.070177
8.502411
8.588839
8.747414
7.606388
7.762398
8.809915
6.063372
6.556917
7.138966
8.490814
7.233573
7.251396
6.504669
5.806162
8.428312
6.171407
6.725135
6.720374
8.917341
5.395627
6.394314
6.443876
6.084124
8.287072
5.969131
5.320063
7.274102
6.296899
7.677190
8.015580
5.854991
9.058092
7.030198
5.731330
6.283471
8.593478
5.776620
6.711463
5.820444
7.743233
8.790994
7.684271
5.331294
9.095813
8.474456
6.956954
8.832865
7.712958
8.840190
6.211814
5.800424
8.523774
5.713385
7.629826
7.990921
9.148549
6.768593
9.132679
9.036729
9.027085
6.776650
5.616581
9.190054
7.726875
7.438414
6.053728
5.590091
5.305902
9.179189
6.334864
6.428251
7.605167
8.279015
7.730171
5.387448
5.345332
6.714393
8.841899
6.728919
5.904553
8.085040
8.924177
5.403684
6.649205
7.002121
6.444731
8.561739
8.695288
5.312494
6.764687
6.834147
7.974685
6.534211
6.809244
5.765267
6.480255
5.876232
6.606845
5.766121
8.566866
7.221976
7.569643
8.968612
9.180410
8.446013
7.391293
5.350948
6.893109
6.443266
7.437559
8.513276
8.617893
7.243950
6.503327
5.475585
6.877117
8.589084
8.811991
6.874920
8.501679
8.341639
8.132527
5.935072
7.633854
6.110126
7.888012
8.585665
5.910901
7.456236
7.131886
7.103809
8.703101
6.064470
8.266442
7.655217
8.280236
5.247917
8.377651
8.107624
6.784585
6.163961
6.063494
8.493500
5.882824
8.116779
5.628178
6.495636
7.972243
8.320765
6.519684
8.332118
7.816599
6.499298
7.883618
7.412656
7.487976
5.694952
8.109577
9.146352
5.486694
6.665563
5.244987
6.269921
8.916974
7.240898
6.150777
7.076830
7.591250
8.015946
6.274194
8.918073
6.940962
7.754341
7.913892
7.351985
6.605014
5.878185
6.852458
5.318354
5.573977
7.419004
7.231010
8.709326
8.764260
7.804147
6.540437
8.715064
7.895581
8.854106
6.605991
5.317133
7.550356
7.366512
8.437590
8.306604
5.285394
7.660222
8.585910
7.366756
6.451567
7.328913
6.068865
8.378140
7.968825
8.057451
6.475249
8.988876
8.515595
7.083911
8.108112
6.391263
6.394559
6.068865
8.254234
5.560427
6.411283
7.576235
6.000626
6.438627
6.294702
5.254387
5.230216
6.707190
5.986343
6.541414
6.671545
7.517640
7.670598
6.266747
7.878979
7.559999
8.423307
7.529237
8.017655
8.841655
5.351070
8.220786
8.327479
7.551943
7.099536
5.575320
5.142323
5.387692
7.602237
9.115711
6.339015
6.715247
7.947096
6.372951
8.090289
8.942732
6.236229
7.756661
6.797891
7.478454
5.311029
6.944990
7.080981
6.650548
6.221335
7.177053
8.692969
5.962294
5.309931
5.815683
5.243767
9.058824
6.790933
7.560488
5.602420
8.778054
8.694189
6.682897
6.852458
7.665716
6.052507
8.661718
5.678594
7.323054
5.205924
7.589419
9.058458
5.967299
9.098010
5.729377
7.131642
5.578127
7.438902
7.595157
5.126453
8.003983
7.612125
6.928022
5.214103
5.404904
8.196738
6.949019
7.168508
8.407315
6.982467
8.258995
6.705725
5.342036
5.352901
8.761086
8.377895
7.946974
8.908795
5.983291
7.897046
8.902081
6.210471
6.173482
8.763649
6.577914
5.511841
6.543001
8.074419
6.368801
7.360897
7.033616
8.385464
5.987075
8.943464
5.983291
6.504303
6.093890
6.043352
8.065020
8.087603
5.640019
8.495331
6.874065
6.917402
7.293756
7.004563
6.539338
5.733161
8.328089
7.209037
8.732032
5.493042
6.346095
8.858135
5.448729
7.939161
7.215018
5.984634
7.942701
6.343776
8.587741
5.943129
8.177694
5.309687
6.384182
7.190847
7.181936
8.499847
5.610233
5.684820
6.674108
7.171804
6.885296
8.360073
6.025040
5.420164
7.089404
7.775582
6.248192
7.833567
6.901410
5.808115
7.890942
8.888531
9.080676
8.160726
7.661321
8.865581
6.015641
5.500000
8.314295
5.894421
6.286523
5.193960
6.321680
7.172170
7.705145
5.979385
6.877239
7.798654
8.629734
8.434416
5.612918
5.103992
7.926588
8.129475
6.401517
6.343776
5.956313
8.334925
6.619297
5.635868
8.958357
7.156667
7.245537
8.014481
5.207755
7.977248
7.172536
8.476775
7.322565
8.076250
7.101489
7.896191
5.092395
6.305689
6.399075
5.678594
7.207083
8.695288
6.291284
7.034959
8.257775
8.861675
6.766396
8.746315
7.386898
6.098041
6.564974
5.296503
6.961837
6.018204
5.630253
7.246513
5.646245
6.630161
7.395810
5.725959
6.245628
6.714393
8.281701
6.917402
8.700781
7.382382
7.778634
6.407010
8.604831
7.689276
6.492950
7.277886
7.618961
5.176016
5.526002
7.820994
8.161336
6.216819
6.566073
6.737098
6.744179
9.046373
6.065203
7.706977
6.335353
8.340175
6.878094
7.203421
6.116718
8.227378
8.735206
7.420469
9.017685
8.605564
8.928816
6.194357
5.395383
7.636418
6.583285
5.792978
5.240593
5.296869
5.887463
8.445769
5.279534
6.858196
7.662297
8.491913
7.351131
7.170949
8.639744
9.020737
6.431181
6.629307
5.827280
8.878887
8.681494
7.690374
5.334101
7.919752
5.896008
6.822428
9.032334
8.370205
6.721839
6.758950
6.429594
8.189535
7.026658
7.931104
5.127552
8.295495
7.791940
7.955885
7.241752
5.532472
6.902997
8.053545
5.156117
5.257317
5.212882
7.269707
7.990310
5.416501
5.255242
7.377499
8.150838
5.990982
6.979659
5.333369
7.345149
# Label of molecule (12)
0.589399
# Number of Instances of molecule (13)
4
10.486479
9.118230
9.470216
10.599215
12.571929
9.033603
11.470014
9.306473
10.483410
8.869744
8.730609
10.096242
9.358060
9.894345
12.722145
10.699237
11.561681
11.007553
11.765722
11.702665
11.886143
9.019779
10.899337
9.663380
9.654238
12.381619
10.579473
9.991414
10.960644
11.578757
12.510295
11.929760
11.952196
11.271396
11.719486
10.687075
10.036461
9.803747
9.102518
11.869873
10.106300
10.143057
12.514592
8.731130
9.165255
12.373760
11.359508
9.766895
11.661397
11.838874
12.181341
8.272580
9.554205
11.511812
9.220256
10.829730
8.189550
12.577611
9.882135
8.207044
9.957125
11.909917
10.574826
8.530019
10.884593
9.233615
10.389746
9.253756
10.181820
9.934462
12.341083
10.074729
9.646074
9.583460
8.198522
8.828346
10.309056
11.455886
8.734920
9.983334
11.622922
9.385109
9.824632
9.221784
9.618641
9.464233
11.899629
8.094229
11.224853
9.679397
10.857978
11.640844
12.022529
9.345813
11.773904
12.776960
11.590634
9.988774
11.022941
11.812076
9.137861
9.206105
8.885956
11.844230
11.165530
8.994846
8.952865
9.320493
11.650320
9.073339
10.783528
11.393137
9.232059
12.554353
9.134228
9.852518
11.310337
11.806114
12.116838
12.832025
10.230862
10.108736
8.573434
10.265663
9.113528
12.625771
10.905955
10.611989
8.980220
10.100450
11.619694
8.765609
9.992386
8.734446
9.120721
12.282772
10.976599
12.878073
10.274460
11.696074
11.197185
10.070790
8.616611
7.862015
7.466368
11.158912
8.354504
6.878617
11.868694
10.932136
9.061264
10.571992
7.642062
10.984311
10.024129
11.520596
11.086652
9.355415
10.572065
8.300258
8.926309
8.251659
7.166080
8.645776
7.311201
8.000413
6.710776
6.757653
7.169164
6.798669
6.931608
6.480911
7.329936
8.937162
7.662954
8.091922
5.592334
6.965545
8.567644
6.524003
8.803125
6.522538
6.166082
5.909238
6.107242
8.657369
6.975188
6.890225
8.208625
6.340159
7.481307
7.049654
8.401502
6.279611
8.326182
6.331370
7.752190
6.916715
8.077639
7.329203
8.804224
5.475997
7.961547
6.317576
8.180181
8.945952
8.929838
8.899442
8.459243
5.862362
8.438734
6.146428
7.701163
5.773980
6.314524
9.106479
6.995575
7.260842
7.078463
5.552782
6.408032
5.382977
8.108280
8.850978
5.700491
7.434553
9.011261
6.817591
8.200079
7.875729
7.582629
8.446913
8.190680
7.321879
5.724662
8.378063
8.204108
6.459914
6.702597
6.981292
6.583941
7.771111
7.110324
5.935728
5.697317
7.932737
8.923002
9.173620
9.171911
5.774346
7.010102
9.067537
6.528642
8.664937
5.484787
7.734733
5.590991
6.202338
6.263741
5.333537
7.040376
6.085391
7.212989
9.226966
5.495285
9.038240
9.255287
7.887692
7.490463
5.665578
5.812555
7.422590
6.727378
8.112674
5.960143
6.586261
6.974456
7.404035
8.666036
8.164312
8.990631
5.337687
7.491928
6.597369
7.846797
7.809809
7.129734
5.723441
9.021393
8.441542
7.149144
6.510941
5.643361
5.388226
6.331126
6.660360
9.260537
8.202277
6.962493
7.947386
8.503311
5.624561
8.465835
9.183264
8.025269
7.182958
5.741142
8.667257
6.089785
5.467940
5.593554
6.007141
7.181249
7.965575
8.620502
7.180761
8.013916
9.316935
5.936338
6.714682
9.314615
8.885525
6.107852
6.856655
7.754387
8.502457
5.674368
7.613758
8.402966
7.266091
6.630451
7.532579
6.031999
8.887066
5.777108
5.941664
6.370388
8.412076
7.765206
6.069109
8.919538
8.295129
8.637425
8.336268
5.656499
7.519349
6.845012
6.348903
7.962477
8.269738
7.957839
6.931562
8.744362
6.541536
7.282159
8.809183
7.143849
8.616916
8.003616
5.345820
7.207205
5.282708
5.227042
6.212058
7.889721
5.666021
8.291223
6.856975
7.772774
6.562166
7.730293
8.659764
5.865490
7.128712
7.260552
6.636631
5.868786
8.823588
7.163991
7.577334
5.273431
6.458037
7.446593
7.485290
8.670995
6.244407
5.144032
7.198660
6.649205
8.708472
6.151631
7.065844
7.649358
8.345668
5.952040
7.549867
8.158773
7.894482
7.616886
8.638646
8.615207
7.100757
7.456603
6.933882
8.395596
7.850902
8.694189
7.295465
7.267876
7.545351
5.535890
7.914869
6.676916
6.591342
6.018082
7.693915
6.242210
5.886120
7.999344
6.802652
8.841411
8.168294
8.678198
5.291986
5.654668
7.110889
6.008805
6.636998
6.545198
6.031999
8.389981
7.082568
7.150441
6.097308
7.001877
5.672002
6.059343
5.890027
7.167653
7.827219
7.450621
8.222861
9.112293
5.360591
6.566561
8.066851
6.495392
5.790902
5.398556
5.473510
9.092761
5.838755
7.957961
5.362789
5.999771
5.976699
6.507477
8.053911
7.736274
8.909894
8.130085
8.413663
7.621158
6.859783
9.006699
7.496033
8.798563
8.529389
5.781625
6.550081
5.285516
6.621616
7.388485
7.269097
7.419370
8.788675
8.710791
8.157186
8.076983
8.884747
5.455321
8.888531
8.044633
5.399777
7.611026
8.533174
8.908918
7.947096
6.867107
5.525391
7.848338
6.680212
7.369442
5.249382
6.696326
5.515992
7.186697
7.116382
7.502625
8.650121
5.667608
6.583529
7.068407
8.612522
7.998733
5.588015
5.893200
5.649785
5.976089
8.598972
8.743385
7.528016
6.490143
5.093860
8.428312
7.435728
8.212485
6.545320
6.407743
5.391110
5.073840
6.774575
7.734565
8.264489
7.016282
5.112415
5.708625
8.292810
8.392178
7.237846
5.616459
5.962905
8.388028
8.572115
6.931806
5.135487
5.846324
7.102588
5.352290
6.287011
4.860576
6.511383
6.047380
5.743416
5.519288
8.483245
5.491455
6.781289
8.172201
7.068163
5.258049
6.471221
5.596561
7.974197
7.151173
8.138264
7.436460
5.664556
5.045030
7.314264
7.288995
5.134388
6.813272
5.057726
4.816141
5.242180
5.715339
8.516694
5.253777
6.471343
6.621616
8.606296
8.694189
7.995926
6.448271
6.681799
7.517151
4.925764
6.178121
8.076373
8.345058
6.607944
5.842784
6.381619
4.895367
6.855754
7.840403
8.346156
6.107685
6.983444
7.964187
7.265191
5.917737
6.521271
7.518006
6.738319
7.056810
6.483673
5.890881
6.668737
5.247429
8.068560
6.969771
5.380001
6.174581
7.660710
6.761269
5.725105
5.603763
7.014451
7.600650
7.062059
5.023179
7.492126
6.320826
6.972701
5.184194
7.230766
5.758187
6.597812
5.915784
6.115009
4.968734
7.465026
6.586215
5.428587
5.530030
5.683233
7.589297
7.060839
5.304926
7.380184
7.228690
7.142994
5.040147
7.256035
6.375515
4.989120
7.176931
6.130146
7.274590
6.216819
8.246300
5.354610
6.873699
4.922346
8.226524
5.970107
7.052049
7.785714
6.235984
6.478423
6.121601
4.980087
5.936781
7.108081
5.976821
6.761879
8.024735
6.446318
7.268242
6.613681
5.179312
6.313746
# Label of molecule (13)
0.748724
# Number of Instances of molecule (14)
4
10.513966
9.021845
9.489945
10.565091
12.404863
9.028855
11.502239
9.156211
10.454076
8.782950
8.600342
9.834831
9.600577
9.968232
12.647657
10.511659
11.736583
11.131887
11.664528
11.573894
12.007023
8.888215
11.043848
9.575214
9.724094
12.244772
10.627076
10.065776
10.903710
11.723290
12.504992
11.995333
12.112591
11.359666
11.577605
10.879069
9.912501
9.780060
9.024604
11.786392
9.885321
10.258940
12.535908
8.675736
9.323164
12.596216
11.478962
9.952123
11.618558
11.554264
12.550705
8.134017
9.883656
11.400263
9.277513
10.911010
8.629628
12.656084
9.780413
8.280605
10.436068
12.230171
11.025501
8.458010
10.813664
9.177520
10.357099
9.415007
10.384855
9.740319
11.770979
10.038433
9.534151
9.729356
8.543445
8.662486
10.811851
11.118107
8.381639
10.238510
11.414764
7.705211
7.371280
8.614328
9.836116
8.254291
11.849563
7.287225
10.980868
8.310247
8.327845
10.413562
10.553704
8.514991
9.629769
10.368507
8.947502
10.277097
9.487769
9.536591
8.241128
8.235113
6.720144
12.239851
11.214631
6.762590
7.705661
8.214115
9.202587
9.155889
9.910235
8.600674
7.334974
12.504411
8.118690
10.153771
9.477813
9.959911
10.489766
11.389935
7.514031
8.202958
8.200669
8.163942
9.279785
11.603510
9.068786
10.210685
9.356633
8.028562
9.498437
8.196346
9.814391
8.329674
9.022057
10.651392
10.060546
10.662896
9.994568
11.795083
8.530312
8.558799
7.700273
9.999112
7.352427
10.582873
7.779078
6.706892
9.231786
10.743466
8.964054
9.718289
6.558340
12.604261
10.270814
10.396088
10.288227
9.878697
11.974723
7.794155
7.875928
6.242918
10.233185
6.541112
7.452981
7.152245
7.379238
7.262169
6.614444
4.870006
7.438078
7.708228
7.657445
6.713324
5.043718
5.624058
6.463073
5.458647
8.473998
5.029679
6.715888
8.228019
8.529542
6.583926
8.553224
7.822855
8.033433
5.281030
6.764962
6.635563
7.447844
4.921033
5.296167
5.772622
6.483215
7.728492
6.930982
8.762703
7.573946
7.494232
7.029130
7.225791
5.096454
8.616459
6.194998
5.878948
6.205618
7.413785
6.748482
6.252983
7.161092
6.088916
7.877667
6.493835
7.023148
7.713355
8.344844
8.626347
6.589419
6.612003
7.623142
6.653020
6.448668
6.521546
6.337092
6.864818
8.027818
4.895398
4.883801
5.736122
7.505097
7.734596
5.107318
8.782479
6.466002
5.314356
5.904584
7.752907
5.175924
5.187033
5.634434
7.534272
6.346126
4.831187
6.207327
8.140492
7.264733
8.325068
7.729102
5.163350
8.172475
5.417875
8.574831
6.059862
6.753731
5.376614
7.767434
5.648350
6.620670
7.977645
8.535524
6.193289
5.664098
8.025010
7.926374
5.449248
8.147084
7.766091
7.348109
6.041063
6.414975
5.579623
4.917127
5.555208
8.098376
7.314295
8.485473
8.717658
6.682684
8.648564
6.220634
5.030900
7.320521
6.850169
5.618931
5.249535
5.760292
6.309381
5.820353
8.063952
8.268548
8.219840
6.103687
6.371761
6.417051
8.782723
7.438078
8.510620
6.615421
8.310297
5.961715
7.824564
8.257561
7.602268
7.267541
7.944075
6.362239
5.970748
8.367061
5.150288
8.580935
5.288232
8.209220
7.200766
6.446715
6.434874
5.629795
5.990768
6.741157
6.518250
5.604404
7.426725
6.853099
7.242393
8.681280
7.883648
8.005234
6.799509
8.469726
8.625370
6.221488
5.660802
7.135914
6.863201
8.453825
5.926038
7.179495
7.830760
6.604892
7.960768
6.360622
7.446348
7.181936
6.241600
8.061724
6.296167
6.578890
7.649602
7.065966
7.798898
5.325434
8.649876
8.354091
5.262810
6.458403
5.938734
6.767373
7.465026
8.946028
8.050371
7.413633
5.129261
7.043138
5.299066
8.690283
6.678014
8.451872
5.434080
7.799509
5.631718
6.159444
8.378628
6.630406
8.032304
8.833598
7.430601
5.883435
6.265160
8.645116
6.299341
5.312372
7.654485
7.397153
7.353694
5.958022
8.206381
7.833079
8.454558
8.249596
7.876171
6.998947
7.749825
5.847056
5.734382
6.536653
5.804941
5.103015
7.405210
8.780251
8.443937
6.014176
7.153981
5.533448
7.676458
6.541536
8.998032
8.401090
8.086627
6.172506
5.215934
7.549867
8.056352
6.600253
8.630955
7.774972
7.201102
5.394406
9.040513
8.745216
5.390500
8.540620
6.172506
6.303369
8.730323
5.720099
5.537477
5.696295
7.880200
6.209128
5.555300
7.609684
8.082965
7.267754
6.329981
5.882092
8.278893
8.897809
8.447966
5.774056
8.681372
6.842204
8.174886
5.667364
8.189047
5.702033
5.426145
7.067553
7.007736
8.045122
6.885296
7.787790
7.859325
5.381588
8.645970
7.186331
7.151051
6.883343
8.752541
6.333888
5.481079
7.718574
6.014176
7.986282
8.854595
8.879620
7.467589
7.235649
5.985733
6.377712
8.861675
5.717414
5.061632
5.680425
6.543245
8.246666
7.340999
7.265313
5.113758
6.758339
8.963851
7.166677
7.236137
6.428617
8.348109
6.388943
5.963515
6.849895
6.546297
5.062243
5.968276
5.135853
5.938612
7.216361
6.042619
5.830699
6.636387
8.044023
5.249016
5.643086
5.201544
5.978545
8.557115
8.458235
6.205237
7.519608
7.638630
5.920438
7.249825
5.313364
6.742607
7.999237
6.070833
9.118412
8.827021
5.161626
5.275155
7.479324
5.933134
7.965667
6.256508
5.771508
6.066805
8.270241
7.384106
6.047029
8.789544
5.938261
8.840327
7.561602
6.895077
6.906796
8.481307
8.856441
5.548357
8.497909
7.096622
6.269326
8.259743
5.848903
7.441603
5.750633
9.068972
7.333445
5.418714
6.858821
8.317606
8.850093
5.782006
7.810877
7.379833
6.852840
8.740471
6.461837
7.730918
7.999359
7.833705
6.090121
5.725852
7.290963
5.457778
8.861690
8.464095
8.580309
6.413251
5.848292
6.115146
7.320261
7.851527
6.477828
6.080599
5.431166
5.995270
8.286233
8.366070
6.159337
6.007843
5.850856
7.540117
6.803400
7.384106
7.779504
8.653554
5.182379
7.241646
8.625965
6.494797
5.721580
5.884915
8.613880
7.556352
9.029298
9.017335
8.037690
8.086886
6.842463
6.976989
5.219123
7.604328
6.213660
5.371227
8.894284
7.245064
8.814814
7.484329
5.903348
8.324442
5.233528
6.833308
7.062197
8.481796
6.137852
6.248085
8.087374
6.788263
6.180212
5.849025
8.450667
7.189520
6.522019
8.298685
9.039186
7.658895
7.847499
7.701376
7.494949
8.438093
7.747032
6.526902
8.108493
6.737236
6.340983
6.932310
9.142582
7.271554
6.022004
8.856807
8.460677
8.009369
5.188116
5.265267
6.335612
6.504929
7.844569
6.916318
6.311686
6.193518
8.946776
7.026551
8.997192
8.021088
5.360363
6.210486
7.661946
6.786431
8.315043
8.067598
8.513901
5.567522
7.222480
5.792505
8.530869
7.610675
8.740471
6.185949
# Label of molecule (14)
0.547130
# Number of Instances of molecule (15)
3
10.491661
9.054057
9.704034
10.654804
12.260708
9.057961
11.412784
9.271247
10.496302
8.672639
8.650326
9.865992
9.435301
9.790707
12.460212
10.615455
11.627598
11.222549
11.470013
11.713588
11.887676
8.909122
10.864236
9.640537
9.872825
12.451382
10.655383
10.079770
10.923702
11.640330
12.207101
12.066933
11.917373
11.136376
11.547781
10.936279
9.875954
9.689910
9.203655
11.847820
10.192562
10.288561
12.552878
8.774625
9.207875
12.501480
11.615522
10.111506
11.668167
11.213132
12.615501
8.229015
9.483670
11.602269
9.549474
10.823124
8.239254
12.539754
9.501939
8.361156
9.974596
12.034677
10.528671
8.473173
10.670805
9.554035
10.453080
9.296981
10.240859
10.151600
12.362785
10.374806
9.831530
10.151083
8.445834
8.645957
10.643085
11.006705
8.785109
9.860725
11.813439
9.037417
9.510309
9.171960
9.317114
9.285499
12.175006
8.179387
11.122963
9.783797
10.992073
11.604716
12.488431
9.458865
12.003849
12.454725
11.946748
9.986248
11.117600
11.947490
9.121897
9.671497
8.565791
11.882927
11.426917
8.915209
8.862481
9.469605
11.957697
9.003669
10.387972
11.555487
8.849999
12.283518
9.362557
10.321187
11.274010
12.113310
12.166390
12.525472
9.852524
9.898832
8.560671
10.479994
9.082793
12.754699
11.306295
11.135382
9.519274
10.436773
11.894616
8.495173
10.207017
9.123344
9.337068
12.580144
11.002269
12.642513
10.035667
11.389887
11.340585
9.904587
10.227225
10.230106
8.479968
11.107826
9.841338
8.913889
11.674060
11.339169
9.895388
11.172751
8.830741
12.749213
10.855322
10.782978
8.902633
10.437949
11.451323
6.537304
7.516160
8.368577
10.531463
7.450088
9.784894
8.188095
6.291940
6.352000
5.344768
8.449355
5.169103
9.012482
8.554338
7.077731
5.874447
8.243782
8.369274
5.766655
7.945189
5.244667
8.606586
6.204291
7.397198
6.210395
7.946409
5.112705
8.859523
6.218329
7.781121
5.052644
5.481246
8.419691
8.275399
8.219611
8.988922
5.409223
6.012024
7.107028
6.264595
7.651601
8.599506
7.912839
8.825709
5.835505
7.614002
8.561785
7.574572
8.033692
5.253700
7.220679
7.199683
6.542314
8.078616
7.181005
8.598773
7.275002
7.210913
5.983215
5.700003
8.586200
6.371654
6.658284
5.057894
6.400220
5.128941
6.962127
6.596759
8.519059
6.730308
8.475845
5.877377
6.984710
5.897885
5.449629
8.263192
7.372784
5.958922
7.263405
7.358623
7.888302
8.686666
6.378491
6.097232
7.143773
6.227241
5.658376
8.851955
5.489792
6.489334
8.930448
6.944182
6.777062
5.366375
8.664937
5.927183
5.421552
5.173009
6.646443
9.017243
5.650807
8.665792
5.512741
5.047029
5.803644
8.024415
7.035615
7.320536
6.560625
6.170354
7.017792
7.737663
7.978393
5.795831
6.684652
8.570696
6.204169
7.477645
6.440260
8.261238
6.744591
8.253426
5.867489
7.618274
5.164830
6.033509
7.844722
8.787500
8.092044
5.223060
6.654256
5.370159
5.397382
8.930815
5.959166
8.065920
6.435499
5.137852
6.520951
8.211676
7.210791
8.204352
5.534959
7.597400
5.349895
7.084323
7.458480
8.927274
5.753838
5.629078
8.205329
7.306131
5.804010
6.349925
8.582659
5.123569
6.998993
7.016938
6.845302
6.711753
5.894833
5.469527
6.242622
7.151097
7.226539
6.012635
7.431257
7.600574
8.082522
6.772790
5.631397
7.525376
8.009766
5.960265
5.685720
6.191961
7.656240
7.611805
6.460158
7.618885
7.269143
6.603229
6.069643
5.762383
8.500626
6.998627
6.164983
8.096927
5.951109
4.910306
6.950652
5.239784
8.305307
7.991821
5.242958
7.535630
5.182043
8.455336
6.583575
5.600024
5.729545
7.987671
6.280709
8.200690
6.834071
6.938322
8.257942
4.847804
6.823328
8.157964
8.579363
6.472488
6.536576
7.857906
8.532365
7.563707
5.635792
7.870846
8.138310
7.143162
8.035768
5.682546
4.968657
7.950316
8.324961
8.613544
5.140660
7.213111
5.053987
8.523209
7.367046
6.380078
8.767113
7.413312
6.936735
5.188269
6.649007
6.304270
8.499161
7.441877
7.666128
7.760247
6.528642
7.876949
6.073305
8.436781
6.343455
7.487289
7.163182
8.028443
8.554827
6.686117
5.133457
6.988617
5.819514
7.678457
4.945585
7.398297
6.774255
7.419416
6.050233
5.357830
8.022095
8.534074
7.856441
5.278115
5.050813
5.572558
6.816492
8.443861
6.955290
5.976745
5.003815
6.226264
5.838313
7.131809
8.057985
6.319163
5.767876
4.880032
8.370983
6.372753
6.163396
6.869594
7.391949
7.401837
8.486465
6.114689
4.923978
5.341227
5.111362
8.141728
5.286782
5.126621
7.250710
7.096042
8.223273
7.671133
6.810022
8.184698
6.421461
6.117618
5.047395
7.830683
5.530931
5.738701
6.913663
4.912137
8.544450
7.859737
5.945128
6.463454
8.422010
8.180303
6.588214
5.211829
6.833460
5.870174
4.827784
8.324473
6.892056
5.812677
5.995056
6.742393
5.755181
6.371288
8.630268
8.475234
6.968108
7.056001
5.275307
5.230506
6.423902
8.461684
5.071444
7.756462
7.816767
6.855312
5.034944
# Label of molecule (15)
0.806596
# Number of Instances of molecule (16)
4
10.506428
9.053909
9.640592
10.739760
12.470451
8.874066
11.465458
9.323045
10.368079
8.799007
8.715379
9.983515
9.517232
9.933504
12.450365
10.512348
11.471666
11.127210
11.778656
11.734447
11.741930
8.951621
11.099363
9.769372
9.821713
12.198862
10.578699
9.885197
10.959584
11.812676
12.374167
12.224131
12.184373
11.291874
11.738501
10.784425
9.613645
9.987542
9.090628
11.865409
10.099895
10.488244
12.525962
8.629915
9.374043
12.576515
11.288597
10.224638
11.338578
11.636300
12.308302
8.359677
9.580185
11.610793
9.555406
10.991087
8.161396
12.600190
9.526645
8.294789
9.971684
11.877162
10.898183
8.610252
10.591679
9.396415
10.288368
9.245542
10.090903
10.261862
11.725980
9.782879
9.653711
9.868990
8.611734
8.774940
10.707616
11.054446
8.377675
10.084720
11.641702
9.067594
9.737810
9.120540
9.532462
9.709643
12.148635
8.129126
11.390222
10.057588
11.465708
11.720258
12.538076
9.210347
11.991492
12.452131
11.489463
10.026606
10.975975
11.778950
9.075098
9.450891
8.836697
11.725994
11.512062
9.182279
8.798178
9.390715
11.445408
9.090491
10.902553
11.469454
9.209242
12.254478
9.217211
10.076139
11.310502
12.126948
12.060889
12.220667
10.210046
10.323467
8.933820
10.394064
9.331999
12.401461
11.264016
10.810972
9.488322
9.897719
11.933653
8.367887
10.570032
8.884370
9.423454
12.414207
10.714915
12.777995
10.434056
10.815093
10.535085
7.889393
9.315119
9.953001
7.935832
10.039214
9.056066
8.757400
10.474094
10.337281
10.159537
8.806791
6.855138
10.810376
9.379078
10.596108
9.017452
9.022781
9.925163
9.182522
8.958355
8.265084
9.713306
7.611081
9.550516
7.738764
8.570208
5.950255
8.324595
5.922056
6.426710
7.541124
6.397656
6.646077
8.853908
8.285409
7.468245
5.632740
8.805933
7.614002
9.002228
7.657338
8.813135
6.443312
6.805139
5.924986
5.882626
5.727103
8.468032
5.807062
7.955809
8.469619
8.052614
7.975585
8.793603
6.574786
7.896970
7.310160
6.168035
7.906735
7.411359
5.955138
6.233100
8.935087
8.741844
8.898465
6.949065
8.342174
7.175756
8.449843
7.438459
6.966033
8.165654
5.992492
8.144902
5.454146
6.842982
5.382977
8.673360
9.003327
7.901608
6.374218
8.183233
6.559526
5.721732
8.437635
7.212989
5.856258
6.611774
5.357952
7.807855
7.660146
5.042390
8.977569
6.828089
8.605853
7.747185
6.462600
7.312479
7.989624
5.566088
5.469649
6.769494
7.900266
6.906217
7.583728
7.275735
6.060244
8.694113
8.406018
6.252144
6.752892
6.695273
8.664937
8.795434
5.210486
5.076937
6.725059
8.439833
6.838588
7.087008
8.870266
5.222449
8.651021
6.724570
7.734245
7.929563
8.290658
7.280129
5.255654
5.395795
8.011841
6.614704
6.531327
5.735527
6.997772
7.059053
8.941679
8.376476
5.389569
5.802789
8.926542
7.774285
5.400922
7.652821
6.783532
5.681936
8.893948
8.031617
7.864376
6.848109
8.790429
8.094852
8.545305
7.020722
5.694510
5.839778
5.345378
8.130131
7.101901
5.081820
7.569811
5.526536
8.568133
6.172185
7.848628
6.148259
6.214667
8.333872
6.951994
6.492996
7.945067
7.488632
7.252297
5.270180
8.747337
7.452864
7.209693
7.607532
5.456587
8.373547
7.256813
7.686880
8.355113
6.282785
7.456160
6.685873
8.981475
7.644887
7.306375
8.897732
5.526902
9.015610
5.301263
8.072954
8.119098
8.802957
8.990707
8.424406
6.984298
5.654912
5.713385
7.054613
6.174459
5.753792
6.075213
8.757912
8.906720
8.320399
6.228904
7.874462
6.787637
7.188894
7.660100
8.282189
5.160024
6.684851
8.185629
5.380123
5.595706
6.683630
5.536622
7.940382
5.912244
5.722297
8.903180
7.700018
8.089312
9.043443
7.814402
6.573153
6.456938
6.440825
5.729865
5.352412
6.533479
6.787881
7.717475
7.779122
6.886273
6.117817
5.590091
7.855296
6.390530
8.135701
5.881481
6.272851
5.262688
6.033952
8.030351
7.835398
6.241234
8.488372
6.151021
5.745613
8.290979
6.707801
5.766610
8.637791
7.206717
5.414914
8.875713
8.223960
7.489196
6.630161
6.731483
7.435362
7.870556
5.136341
5.707038
6.928999
8.862041
8.498260
5.620487
5.837535
8.700903
8.509980
7.896680
6.636143
8.071245
8.950179
8.939558
8.000809
5.971694
8.513398
8.091144
7.534730
7.108448
7.799265
5.550783
6.236717
7.185232
7.229301
7.630436
8.586642
8.467009
8.768899
6.720862
6.122578
7.993362
8.329798
5.344234
6.386135
6.813150
7.726142
7.666936
7.109668
6.619785
9.060900
7.848949
5.519410
6.158467
8.416715
6.603549
6.633457
7.782296
7.726386
5.343989
8.423673
6.531892
5.698614
5.289789
7.722602
8.113727
6.672765
8.909894
8.746193
8.150960
8.277917
7.076098
6.108417
7.084277
6.773232
5.303583
8.204550
9.094348
8.941389
8.451018
8.834452
7.423887
5.412351
5.256951
8.945296
8.473113
6.292016
8.088214
8.365078
9.043199
5.970229
5.272210
5.403562
7.103198
5.983291
5.392941
8.195883
8.456023
6.806925
6.919965
5.107578
8.204596
7.616932
7.355693
5.401410
5.289468
7.967162
8.089358
5.812922
7.723869
7.704459
8.418714
7.718009
8.668844
8.465468
7.992553
4.964141
7.488021
5.356853
5.153722
5.617115
8.267586
4.995148
5.393719
6.759728
5.298868
6.286569
8.705588
5.222816
4.896146
5.825129
8.209967
5.119785
6.925138
7.783319
6.430982
5.060701
7.417829
8.168706
5.593921
5.921567
5.648122
5.323893
6.321848
6.042665
5.044099
6.543535
7.106174
8.732688
7.309549
6.681967
6.925260
4.950957
5.133213
8.631001
7.386700
8.046266
4.857814
5.536302
8.767113
7.423200
8.485977
6.635090
8.327036
6.015198
6.395337
6.581378
7.272561
8.436048
6.142644
8.142582
6.742027
8.686422
8.725242
6.135563
7.189062
8.290170
5.680837
6.481399
7.541734
5.735038
8.397961
8.251595
6.507523
8.093997
7.011078
6.581256
6.403394
5.699271
6.258370
8.325449
5.884091
8.748802
7.674306
6.331614
5.943175
6.714316
5.493088
8.205451
7.562975
5.432295
5.638966
5.442183
5.387860
6.747032
7.176611
6.802210
7.796869
5.584155
7.597522
5.801691
7.747551
5.329875
7.318339
6.197577
6.770348
6.388745
6.763390
7.337504
8.486099
4.796045
7.409772
5.254189
8.020508
7.761101
6.167669
7.374981
5.694266
7.013276
6.471389
8.724998
7.359600
4.830103
7.456648
7.496567
7.761467
5.618091
6.598956
7.862056
7.296609
7.923948
5.187780
7.901852
6.546587
5.750664
8.011353
8.526749
4.958892
6.053285
6.627400
5.265908
8.051393
7.288919
5.596118
6.798303
5.515061
5.896786
5.046907
6.099796
8.591082
7.582995
6.957976
8.084109
5.095248
6.284616
6.520219
# Label of molecule (16)
0.758101
# Number of Instances of molecule (17)
5
10.419324
9.095272
9.574525
10.492542
12.477618
9.054267
11.314736
9.292852
10.506275
8.770874
8.481917
9.857641
9.509851
9.730687
12.486438
10.510494
11.735052
11.054997
11.605518
11.630419
11.878520
8.777687
10.904575
9.694016
9.687277
12.353289
10.634182
9.897052
10.894685
11.866887
12.383119
11.959002
11.996949
11.064375
11.535724
10.867116
9.881995
9.767083
9.249767
11.929609
10.036524
10.371943
12.460731
8.664810
9.202148
12.413477
11.467030
10.060418
11.662359
11.739927
12.376953
8.308357
9.622887
11.541332
9.392986
10.700658
8.500075
12.492320
9.562926
8.397622
10.181174
12.123710
10.900397
8.727858
10.879923
9.494176
10.458035
9.013969
10.018533
10.261076
11.763787
9.977251
9.778492
9.692496
8.337006
8.935332
10.638093
11.414542
8.812603
9.807631
11.762364
9.389101
9.950364
8.955491
9.411717
9.381002
11.908171
8.363999
10.801751
9.648218
11.321697
11.440885
12.629253
9.417108
11.634694
12.570861
11.407118
10.152678
10.902085
11.491152
8.683826
9.593265
9.007432
11.964992
11.724995
9.307628
9.066052
9.404469
11.509478
9.325600
10.703924
11.663420
8.820244
12.286850
9.269844
10.054787
11.624619
12.097509
12.451827
12.173945
9.954756
9.845342
8.698167
10.271381
9.379543
12.256505
10.899414
10.919669
9.316788
10.454595
11.343168
8.580735
10.061976
8.943771
9.027524
12.199771
10.664389
12.792279
9.201459
9.513867
10.660859
8.853992
8.940632
8.095864
8.607310
10.466579
8.028224
7.600482
9.839704
9.067049
8.091816
9.626000
7.205751
12.825980
9.798317
11.139254
9.191057
8.785571
8.945982
7.792491
7.862323
8.877625
6.991026
7.885231
8.019991
9.002566
7.656941
7.531083
7.859828
7.599689
7.048769
6.558763
7.534745
5.480850
5.963652
8.218726
7.581011
7.347118
8.567248
5.121830
8.232276
8.855953
8.318094
5.356456
8.055025
5.497818
8.458846
9.119022
7.121403
7.740318
8.966308
5.589373
8.581774
5.600604
5.337901
7.923063
7.008850
7.525956
6.589770
6.233802
5.892361
8.449690
5.839747
8.445906
8.655629
7.905362
6.852107
8.886715
5.571062
9.068972
7.917692
6.497238
8.949461
7.605548
6.445357
8.535142
6.976867
5.196905
5.639302
5.643941
8.576159
8.622547
6.637379
6.165807
5.665548
5.271004
7.484451
7.569903
5.191900
7.955901
8.318583
8.874386
5.311655
7.911466
8.141087
5.934721
8.095309
8.843013
8.548936
5.474624
7.130192
8.906247
5.802393
7.733848
6.398114
7.492996
6.604419
5.608051
8.798700
7.694784
8.964476
6.157018
6.698660
7.322214
7.524613
6.353069
8.878658
5.353160
8.721671
8.948729
8.252663
8.687368
7.158757
6.334635
8.737907
6.077914
8.564928
6.266640
7.645589
6.120640
6.713309
7.333323
7.972381
6.170568
7.677816
6.041658
8.964232
9.064211
8.798456
7.394848
5.327891
6.521775
5.733787
8.836787
7.468581
6.103671
6.974670
5.439467
5.122074
8.596423
5.192755
6.206824
6.764214
8.703604
8.800897
5.371349
5.165899
5.916898
7.098453
6.557665
5.473525
6.440962
8.379498
7.688192
6.186438
7.048524
8.374615
8.505722
5.408216
5.740013
8.404889
8.589709
6.747490
6.083285
8.622303
5.736961
5.240242
8.106906
7.709311
6.587939
7.672567
8.624500
6.416669
7.366894
7.674886
7.863124
6.310099
8.616688
5.966216
5.270882
9.104251
5.799219
8.453017
8.135990
6.732383
9.097812
8.595233
8.582293
9.362468
8.312876
8.673360
8.258065
6.110904
6.155705
8.175909
7.282693
7.239601
5.842586
8.321421
9.332926
8.677511
6.432814
7.783074
6.822474
6.804041
7.395489
8.623432
7.073214
9.380047
9.354289
5.815607
9.353801
7.002167
7.888546
7.725333
8.660054
7.456648
7.262551
8.928129
8.113773
9.344890
6.960662
6.739097
7.852046
9.358684
7.901852
6.826868
8.284921
7.578600
7.207862
9.290078
7.594836
9.170934
8.402966
8.567888
7.353618
6.857509
7.916623
6.563555
6.130558
6.534745
8.767113
8.352672
6.969695
8.415418
6.298776
7.851924
6.607013
6.069399
8.850368
8.825709
8.306406
7.737663
6.226020
8.601337
6.187078
6.294259
8.848292
5.871517
6.918790
6.232856
6.463820
7.958251
8.658345
6.050233
9.280190
6.910978
7.103854
8.404798
8.406262
7.817255
8.541887
8.422010
6.473342
6.698569
7.759880
8.524430
7.310160
9.367229
6.702475
6.159490
7.547838
8.619037
7.745109
6.801477
7.029511
7.137791
9.457564
8.600604
8.900174
7.484481
6.737877
7.056856
6.249947
8.547746
7.186132
6.091983
6.188299
5.830988
9.595996
7.894040
8.222785
6.949919
8.438856
7.911740
7.816034
7.715934
6.215155
7.370952
5.999695
8.180059
9.547288
5.690725
7.916501
6.014100
6.889737
9.172155
7.167211
6.601764
7.732780
6.335154
6.837855
7.215430
9.171056
6.280343
6.080874
6.654988
5.716483
6.447462
7.126682
5.721366
8.227058
6.148625
7.599475
5.902036
7.828364
8.249153
9.012726
7.641835
6.701987
9.372356
6.319529
7.574694
7.616688
9.002106
9.392987
8.092044
8.075564
6.371685
6.707755
7.681295
8.067415
5.740196
9.272774
8.258339
6.097018
9.002747
6.413312
6.393780
6.719840
8.101596
6.020600
8.117588
7.395520
5.739830
8.343059
6.805170
8.906919
7.839503
7.212409
7.071047
8.847591
5.961272
9.012146
6.558092
6.039277
7.059572
7.262947
8.002472
8.754570
5.949065
8.700613
7.945219
5.617512
5.856899
8.720023
6.468734
8.061678
6.435896
8.063143
8.330973
7.215339
8.613575
8.622486
7.872463
6.092746
7.652120
8.238197
8.073397
5.964934
7.794702
8.360881
6.132664
7.784448
5.872280
6.457625
7.946074
7.540788
9.246284
7.035646
7.857814
6.420026
7.462539
7.156011
8.060213
6.644276
6.991211
6.317362
6.017060
5.865078
8.427046
8.579638
8.285928
8.988098
7.526505
6.805902
7.112308
6.300638
7.455092
8.896420
6.174535
8.780450
7.620502
7.889431
7.850002
5.457961
8.467696
7.804834
8.380779
5.709433
5.608966
7.104129
9.313059
7.353404
8.665090
7.643574
7.583880
5.427808
6.192724
6.993652
8.632740
6.521958
8.072787
6.001068
8.910092
7.537004
6.734123
5.468215
8.160436
7.752220
8.589160
7.824488
5.853847
9.071108
9.054140
5.664266
6.139866
9.320627
6.531724
9.028993
5.700888
7.482070
8.728813
9.303537
8.878719
5.725303
6.684561
7.607685
8.448897
7.123661
5.886441
5.552446
8.420087
5.921842
5.844813
6.240577
7.229743
9.236030
5.504959
7.382092
5.715049
7.056032
5.869716
6.404157
6.231544
5.429518
7.207892
7.426771
7.294565
7.699118
8.223548
5.980682
8.120640
6.669912
8.561571
9.343822
7.440565
8.581957
6.024018
8.367473
6.962889
7.761864
5.872158
6.672597
5.119251
6.615513
6.175680
6.863567
8.012040
8.724342
6.378811
5.224845
5.016709
5.421873
8.331874
6.853069
6.098529
8.322352
5.510132
5.325068
8.606662
5.915052
5.757698
7.488952
7.967971
8.339076
5.788827
7.373226
6.090594
6.646641
5.337764
5.777108
6.853923
8.437101
5.332270
8.414029
6.058977
5.730110
8.465667
5.485107
5.214835
4.958357
6.541169
5.558229
8.536958
6.950728
4.966292
6.625767
8.529633
6.783486
8.770119
5.217154
7.531434
5.373898
8.517792
6.442045
8.595187
6.690710
6.500397
7.836619
7.078661
8.456023
5.572390
7.891064
8.323084
8.215903
5.011948
8.131184
6.790078
8.652196
5.780282
7.628971
8.036699
8.011429
5.554689
6.819254
4.899762
7.526673
5.909436
7.494812
5.267693
5.705817
8.020585
5.856822
6.811563
7.362239
7.268609
5.494995
8.053545
5.263054
7.115528
7.172170
7.145314
6.269066
6.629063
6.288232
5.733283
7.842112
6.031388
6.899945
5.284051
8.794412
8.646092
7.169118
5.245720
8.155721
7.617740
5.115955
6.421049
8.031816
7.781320
7.552797
4.925275
6.330470
7.053636
7.071093
8.106281
7.230522
7.724433
5.959487
5.799326
7.266167
6.019791
7.925855
8.293786
4.905255
6.314966
8.498993
8.384976
7.494324
8.370083
4.985092
6.887860
7.445128
5.964125
8.854595
6.985885
5.538697
5.303461
5.431883
8.791116
5.222648
5.576907
7.767525
5.489502
7.773873
6.036393
5.562014
8.449675
8.204428
5.973891
8.021928
6.663488
5.784799
5.974013
5.518555
7.901685
5.058947
8.812967
4.928449
6.952437
5.226432
8.382412
7.526307
8.323084
5.767220
5.010971
8.309290
8.775613
6.183004
# Label of molecule (17)
0.740697
# Number of Instances of molecule (18)
4
10.447747
8.894354
9.526833
10.650600
12.417213
9.102086
11.344490
9.146330
10.548309
8.684148
8.626007
9.816090
9.403904
9.929276
12.466000
10.622631
11.591345
10.952817
11.465771
11.809755
12.044352
8.922740
10.872590
9.724570
9.633324
12.246730
10.449801
9.969340
10.997793
11.643293
12.222144
12.014594
11.969167
11.066020
11.591985
10.712065
9.958935
9.840737
9.273811
11.770072
10.206835
10.054313
12.299809
8.608687
9.253066
12.585822
11.716857
9.695077
11.432749
11.542559
12.135325
8.526169
9.359992
11.222114
9.267198
10.866328
8.588618
12.695941
9.828056
8.659985
10.171629
12.127929
10.949832
8.494709
10.753991
9.135360
10.498459
9.500318
10.078718
10.127687
11.702173
9.794569
9.588258
9.712970
8.131002
9.190347
10.417142
11.519141
8.659415
10.118180
11.467871
9.316109
9.736837
9.411478
9.411554
9.430686
12.189335
8.557787
10.798542
10.257222
10.884817
11.531679
12.125019
8.940301
12.185780
12.492405
11.505218
10.078690
11.285341
11.454762
9.071159
9.574437
9.068403
11.963931
11.434128
9.271766
8.574219
9.621776
11.485434
8.912214
10.609267
11.061765
9.146447
12.769692
9.494941
10.232613
11.395473
12.250938
12.001838
12.854555
9.976262
10.064296
9.036582
8.981168
7.712619
11.601430
11.378501
9.686500
7.904506
7.751851
10.845255
6.900821
8.539571
6.780384
8.074130
9.693849
10.526299
12.416449
9.720838
10.217915
9.793914
7.570893
8.973989
8.954346
6.680014
8.563330
9.387587
6.668731
9.186524
8.935255
7.939044
10.352207
6.482930
10.868064
8.330298
11.015359
8.317627
9.774680
10.184111
6.583186
8.614107
8.269192
7.067591
6.065670
7.046139
7.323966
6.229881
5.448119
6.730873
5.205435
8.814920
5.682134
6.597690
7.696112
5.062487
8.412442
7.127979
7.714545
6.635777
6.788614
6.501373
7.139454
6.266991
6.405789
7.471496
6.924848
8.124470
5.523927
6.619297
7.973098
6.171285
6.436796
6.786172
6.592807
8.391812
6.364162
5.561769
7.919019
6.759194
6.242088
6.701575
6.667760
6.821818
5.786874
7.348933
6.602939
8.779763
7.207938
7.936842
8.088458
5.930555
7.942824
5.644536
7.101367
8.356044
8.792459
6.284326
7.080737
5.726081
5.828013
7.491394
6.988205
5.095569
8.447600
8.095172
6.953658
5.567385
7.955519
8.544527
6.882122
5.698859
7.040574
5.262444
7.396786
5.523927
6.527375
7.806345
8.492767
7.069018
7.776437
5.706549
7.276788
7.234916
7.106738
5.860973
6.167989
6.921308
8.618870
7.358699
8.934675
6.268822
7.789010
6.608188
7.940992
5.892346
8.213218
7.645817
7.982009
7.982620
7.874340
6.498199
6.076556
5.149281
5.307611
8.475066
8.598727
6.881390
6.039567
7.265923
5.118397
7.499939
7.675481
8.717627
8.329432
5.477416
8.009842
8.165242
7.436216
6.000870
6.536287
8.193564
8.379971
8.649876
7.730049
5.703253
8.271813
8.068316
8.478851
7.156056
5.414914
5.503418
6.037736
8.875347
8.286462
7.086230
8.882183
5.275750
8.854595
6.729163
6.834147
5.898450
7.608097
5.516480
6.837687
8.125202
7.670965
5.461913
6.756508
6.446806
5.377560
5.507813
5.571169
5.162954
6.685217
5.641606
6.349513
7.384945
8.795999
7.005417
6.364650
7.218558
8.365078
5.871227
6.737587
6.002701
7.670965
5.360225
7.977859
7.476257
8.120441
6.777017
7.796823
9.134083
8.266503
6.655248
7.797006
6.562838
8.522126
8.166402
6.534516
5.925855
7.820688
6.211753
7.190054
8.587558
9.416318
7.832286
6.399747
6.656224
6.061357
7.996963
8.015275
7.397946
7.336787
5.778512
6.460051
6.392544
7.879528
6.458586
8.423002
7.305780
8.884198
6.437101
8.261376
8.155293
7.253044
7.821787
6.491058
7.942396
8.769570
7.571902
6.737403
9.526917
7.669683
8.072527
8.521271
8.618564
8.987228
6.012284
7.257073
8.761025
8.047868
6.442351
6.836283
8.183248
7.485717
6.888287
8.171529
6.392300
6.159261
6.393033
7.076891
8.383938
8.340236
8.364284
8.860149
6.345302
7.550661
8.100604
8.998581
8.725013
9.424253
5.873852
7.278314
8.544465
7.965102
8.439848
8.768227
8.827677
7.581301
7.854137
7.004257
9.022507
9.264824
8.468413
6.761330
6.289026
9.297174
6.979843
5.784982
7.530885
8.852092
8.411771
8.859050
6.042070
6.871685
6.897931
9.584536
6.648534
6.591891
6.147053
9.244316
9.214408
8.090472
8.461943
8.129292
6.391568
9.233573
7.187735
6.699438
9.487487
7.396603
7.466185
7.956557
6.322230
8.332301
6.167806
6.402676
8.956709
6.563082
7.880505
6.959944
7.158803
7.671514
7.826304
7.225211
9.490417
8.864299
6.584078
6.437223
7.884289
8.184469
7.491455
6.528047
7.589114
6.747780
9.600772
8.636753
6.356532
6.376186
7.065416
6.458464
8.745399
7.006455
7.831797
7.804331
7.417478
6.245567
6.508393
5.747505
9.302301
9.450499
8.292261
6.730323
6.501556
8.706580
6.823099
9.006760
5.813547
7.078600
8.843791
6.796487
8.746864
6.510956
8.539094
9.524720
7.903211
7.750740
6.950285
8.017457
5.044588
8.911771
5.971618
8.707053
8.157231
6.961028
6.287423
5.722343
6.680746
5.506027
5.664602
7.849116
7.140110
6.853359
6.007752
7.768914
5.811579
5.757256
7.319559
5.998230
7.320536
8.762841
7.153294
5.476608
7.917844
7.631703
7.432966
5.176428
8.311655
6.230903
8.515152
7.112766
6.928678
6.257027
8.368175
5.125767
6.480178
7.171361
6.743614
5.812433
8.707053
5.720023
8.214850
5.980407
6.180609
6.417310
7.957396
9.001740
6.032655
8.362560
6.147649
8.438612
6.489578
7.768792
6.852382
5.318766
5.087436
5.578295
7.286477
7.434187
7.440413
7.538194
5.311930
5.036531
7.439680
6.111026
7.055269
7.308939
7.756951
7.598498
6.515580
5.983581
7.527818
5.849544
7.041475
6.484207
6.088809
5.929502
8.548723
8.966826
5.645558
7.126072
6.355663
7.632923
5.744926
8.664937
5.511399
6.692709
8.426283
7.512436
8.490493
5.350749
6.928434
7.638783
8.129032
6.190008
8.826319
6.117008
7.680410
7.329569
6.470901
7.433088
7.860347
8.730979
5.610767
7.381817
6.761071
5.027497
5.066683
5.923887
8.507218
7.252907
6.336985
6.379101
6.528397
5.841853
6.007141
8.329234
5.324625
5.280923
5.839167
7.608509
6.598346
6.781091
5.415448
6.754357
7.629383
5.349651
8.212897
5.293497
5.765801
5.636036
5.980529
5.240272
8.909452
6.924528
8.298837
5.179113
5.864559
5.652150
6.191473
6.309763
8.433729
5.823908
8.668477
7.827631
7.126072
5.701468
5.072298
7.014496
8.361339
7.141331
8.106815
5.416303
7.039033
7.954466
6.416089
8.481582
6.350902
7.666982
5.598071
8.034425
6.709311
7.051485
# Label of molecule (18)
0.648557
# Number of Instances of molecule (19)
4
10.451502
8.964580
9.573643
10.470087
12.273090
9.117871
11.399595
9.115331
10.272416
8.721465
8.647997
10.006334
9.527962
9.976891
12.468089
10.485955
11.482816
10.946437
11.730387
11.851879
12.011455
8.965550
10.943700
9.657844
9.652666
12.220961
10.453784
10.110990
10.781721
11.868301
12.456215
12.172748
11.898203
11.205339
11.519764
10.931645
9.950771
9.774124
9.003367
11.986727
10.040577
10.303144
12.569184
8.677442
9.200507
12.463470
11.474678
9.994527
11.539439
11.250785
12.371012
8.461695
9.408158
11.637210
9.267661
10.800073
8.496165
12.101508
9.359958
8.308049
9.934380
12.055409
10.757247
8.904765
10.789445
9.086089
10.635518
9.023997
10.449299
10.090771
11.952312
9.904528
9.853594
9.999410
8.388578
8.740216
10.475597
11.406886
8.720697
9.870570
11.342815
9.285681
9.977340
8.957957
9.684168
9.279962
11.945839
8.589931
10.789075
9.672470
11.311378
11.127107
12.186864
9.409027
12.129859
12.207720
11.682672
9.857801
10.939807
11.667707
8.911642
9.238825
8.646723
11.927207
11.781504
9.226846
8.985293
9.264008
11.653203
9.035463
10.657124
11.560589
8.989027
12.747336
9.027321
10.201820
11.392915
11.736123
12.041954
12.357794
9.994709
9.991915
8.813915
9.962706
9.483789
12.676112
11.255669
10.767255
9.370963
10.195382
11.752543
8.607305
8.536134
6.387000
8.028664
10.238447
10.518258
12.224421
8.345505
9.694419
9.122571
9.052520
9.220876
8.846236
7.012732
9.718567
7.347347
8.815246
9.263656
11.395911
9.419246
8.887582
8.831121
10.424736
10.819005
10.624668
8.846502
10.516686
10.823741
6.757695
6.216361
7.675186
8.771925
7.113129
8.646738
6.474650
8.450774
6.780923
7.404233
5.630497
6.362453
5.135243
5.973647
6.398099
5.481689
5.593020
8.242882
6.919355
5.690802
8.266320
8.343959
8.700781
7.594180
6.071184
6.605869
6.883953
6.175924
6.669713
5.364132
8.792337
6.606845
8.589450
6.357204
5.344234
6.573153
8.399380
5.082629
7.209281
7.504700
5.814463
7.490905
7.580630
7.076586
7.606021
8.388638
7.440733
7.359310
5.190054
8.928449
5.193228
6.991379
6.772256
8.559786
6.537873
7.752022
6.920942
8.815409
8.461638
7.905469
6.446196
8.308924
5.223136
8.695288
5.457518
6.318262
6.203635
6.361110
6.476714
6.330470
5.499878
8.054399
6.480255
8.921613
5.135121
8.027299
6.746864
5.348018
7.761544
6.469756
7.383847
5.224357
8.729713
7.371029
7.409116
5.660649
7.400937
5.778329
5.261711
7.237480
7.576846
8.829936
8.619114
8.190146
6.919965
8.936018
8.390713
6.180197
5.242912
5.483398
5.770272
7.027390
7.538759
5.438841
7.214652
5.777230
7.629215
7.225028
8.228721
7.480041
8.304895
6.245750
8.829691
5.055406
7.832224
6.434111
5.566286
5.618412
8.703223
8.199545
6.967696
6.640782
6.502106
5.147572
5.296258
5.323359
6.764687
7.949171
7.481628
6.555330
7.703314
7.732124
6.107318
8.832621
8.676366
5.371944
5.329218
5.513916
6.272607
7.055834
6.597324
8.787332
5.890027
8.494964
5.057604
5.721320
6.679601
8.160237
5.508545
5.779550
7.732490
7.916822
8.787698
5.168691
5.384884
5.431639
5.461669
7.399228
5.513916
8.730079
7.698187
5.430784
8.701147
5.274163
8.189901
8.780251
8.138264
7.942579
9.010605
8.962874
6.150410
6.280297
5.273797
5.480728
6.554125
5.977935
7.406446
8.984741
8.456648
6.946837
5.733055
8.287576
6.426557
6.420942
6.328654
6.711478
7.054262
5.563738
7.880825
8.729484
8.963866
6.250038
5.308359
6.732597
5.676046
7.360302
5.105960
7.695395
5.401013
6.410810
6.303507
8.115329
8.635121
5.895657
6.919370
7.599200
6.437544
5.713157
5.779687
5.475112
8.263161
9.055055
7.581011
6.801202
6.221717
7.129093
9.068972
6.148228
8.645741
6.095737
6.209876
7.530839
5.834742
5.588397
8.229469
8.862423
8.856197
8.195288
6.393231
5.307505
8.275369
5.276986
7.404981
7.909391
5.689718
6.496628
7.296213
7.863613
8.944212
6.432783
7.683920
6.817194
7.898648
7.656575
6.270302
7.565264
5.627949
5.642476
7.459059
5.521134
5.925321
6.891537
8.964232
7.335154
7.984466
5.639180
6.286538
9.036500
5.138188
6.525071
6.931700
8.073824
6.525803
6.598682
8.245705
5.629414
6.565111
8.034761
6.742119
5.581561
5.104007
6.936460
8.797967
6.490036
7.127750
5.598285
6.589160
8.980956
8.894528
5.604877
5.146489
6.903500
7.376537
5.141362
8.400494
8.637562
7.880825
5.889554
6.095737
8.921873
6.724418
8.884274
5.446791
5.582904
7.839198
8.706534
5.410413
5.536149
6.181677
5.387829
5.451674
6.435835
8.822626
7.399121
6.675222
6.348430
6.590258
5.101810
5.200568
7.824549
7.145085
8.034883
7.653768
8.743522
6.357585
5.410901
8.650624
6.308023
8.866695
7.201971
8.148534
6.560472
6.691824
5.181524
8.539171
5.798853
6.776910
7.306833
5.359508
8.265358
8.335673
8.808954
7.494095
6.483932
8.880123
5.370495
8.744865
8.621815
7.800745
7.048784
6.180227
7.127033
6.179617
5.665685
4.903333
7.441862
5.522614
5.393216
4.960829
7.614841
6.612003
8.170888
6.794015
8.502686
6.485656
6.861766
8.576662
7.281823
8.229118
6.628849
5.499054
7.727149
8.615116
7.959944
8.733039
7.576754
8.111438
7.715918
4.950087
6.357723
7.129963
8.577517
7.271325
7.047563
6.393857
5.265770
6.519593
6.946974
7.295984
5.910443
5.653722
7.138020
6.125050
4.942152
6.255547
7.904279
6.034227
5.882855
5.947554
7.485076
8.626347
6.409970
7.615329
7.542940
5.031144
8.068712
7.309046
6.715033
8.351314
7.007523
5.700476
5.626988
7.347743
8.113392
5.968551
8.741340
7.245445
6.918287
6.991043
6.417905
5.528596
5.656285
6.714423
6.560121
8.605228
7.842875
8.579836
7.221641
5.211936
5.752480
5.877239
7.548921
6.437681
5.170797
4.906384
8.435545
8.238395
5.794107
5.814859
8.261589
6.319391
5.652623
5.992721
5.094745
7.260460
7.932722
4.896130
6.726630
5.756508
6.571352
7.175985
7.920270
7.852519
5.000748
6.985549
8.243522
6.043626
8.414792
6.343806
5.864055
6.119190
7.934431
6.427427
8.679327
7.623020
5.047014
8.668584
6.157643
5.805582
6.693915
8.530885
7.266076
4.944472
7.380703
6.841624
7.857891
6.906201
8.686895
5.553011
4.897229
8.824961
8.548463
8.807993
8.894299
5.774331
6.689032
8.185049
7.925275
8.306513
6.575014
4.999771
6.615665
6.731635
8.267449
8.534669
5.457305
8.017319
8.549440
7.072344
7.837504
5.177389
6.700629
6.612003
8.153310
5.030290
8.296136
6.136769
8.387936
6.198050
5.402127
8.313349
8.521851
5.222678
5.547395
6.495178
# Label of molecule (19)
0.725066
# Number of Instances of molecule (20)
3
10.512914
9.033489
9.589756
10.627194
12.430549
8.950319
11.511553
9.384715
10.341701
8.869779
8.723959
9.990497
9.596625
9.787904
12.696488
10.511125
11.693793
10.949192
11.770906
11.521044
11.900087
8.799677
11.167267
9.590664
9.661298
12.175590
10.642496
10.035517
10.856842
11.627531
12.453375
11.993675
12.095174
11.132574
11.325559
11.033051
9.870427
9.830728
9.159594
11.886327
9.930732
10.198836
12.463161
8.832969
8.850885
12.139090
11.513516
9.885418
11.467282
11.322480
12.538533
8.447955
9.437528
11.764692
9.290696
10.826062
8.237582
12.195411
9.667368
8.683530
9.842339
12.440872
10.810132
8.442522
10.906145
9.592265
10.392242
9.170953
10.443932
9.818511
11.729959
9.879359
9.505261
9.695283
8.385252
8.814075
10.803725
11.326249
8.655893
9.746522
11.462170
9.264131
9.810822
8.929727
9.536448
9.387392
12.049297
8.592350
10.870467
10.178100
11.283488
11.357945
12.290372
9.292405
11.836087
12.453613
11.906478
10.312717
10.892135
11.818124
8.711277
9.191205
9.010549
11.981889
9.350538
6.622756
6.930067
8.888277
11.895850
8.093777
10.771753
9.480082
6.924827
10.929091
9.051359
8.777012
9.108555
9.906358
11.809651
10.544772
7.530538
8.777635
8.868738
9.034922
6.877899
9.698606
9.425663
8.201456
9.163052
8.625065
8.934019
6.326122
8.421743
7.190999
8.968835
11.052743
8.370254
11.372401
8.533563
10.659276
10.960433
9.883962
10.650390
10.604951
7.347407
8.704106
8.665523
7.945313
10.478766
8.855853
9.994555
8.607560
6.762893
12.649214
10.544032
10.427319
8.359111
10.826338
11.505751
7.825327
8.682634
7.615474
7.838977
6.857269
8.063407
6.376480
8.816263
8.763771
9.027573
5.811289
9.041002
5.687750
8.685034
7.711737
8.963240
6.301782
5.725349
6.073382
5.596072
8.585421
6.148091
5.853893
8.487762
5.335810
7.286798
5.605960
6.349269
6.916059
8.543794
5.720222
6.863567
8.587252
5.990493
6.193503
6.547395
5.804086
6.711341
8.293298
5.544557
6.845012
8.763649
8.497284
8.222495
6.152852
6.630161
7.080493
8.449065
7.763009
8.039995
7.726386
8.425016
6.190817
6.029069
6.536042
5.943861
6.156636
8.120685
6.810587
6.959151
8.519745
6.495880
5.982925
6.329005
7.799997
7.032640
7.071703
5.617069
8.660009
9.086535
9.034776
6.822062
6.722327
5.888195
8.395230
6.912763
9.098987
5.434568
6.516999
8.042436
8.005325
5.744758
6.902753
8.317103
6.836833
8.360927
8.890240
7.995560
8.079669
7.963820
6.123310
7.991531
6.433988
5.982437
8.170492
7.557802
8.522065
6.069964
5.666021
6.022965
6.557649
7.322077
5.351924
7.460143
7.351863
9.111682
7.391049
5.158071
8.029008
7.417539
7.329157
8.773537
7.828806
8.518891
7.081835
7.037400
7.369808
7.931593
5.317866
8.891827
8.748512
8.463591
7.617496
7.929884
7.849315
5.260369
6.777871
9.017563
8.240562
7.719062
5.643559
5.967421
8.031327
6.143574
8.834208
5.145375
9.064684
9.018662
7.745430
7.879101
7.820994
6.773476
5.199454
6.547517
5.407956
7.915601
8.118366
7.225394
8.011429
7.404233
6.595492
5.756478
7.181692
9.142689
7.741035
6.132588
7.331111
6.461577
6.675329
8.050981
5.817881
6.470733
7.046434
8.527680
8.990219
6.151875
5.444945
8.439543
5.566652
6.068987
8.094073
8.871807
8.727760
8.033998
8.181829
5.252907
6.130619
8.284738
8.247627
5.205908
5.763298
6.477798
7.661794
7.287393
7.206458
6.721946
6.708884
7.481857
6.997101
8.765099
5.380352
6.580584
6.180425
5.544542
8.607501
7.711356
7.412519
8.667806
7.828059
6.487075
7.336711
6.696066
6.266243
5.645375
6.608905
7.109897
5.297098
8.056459
5.945311
6.826930
7.271767
7.971862
6.569842
6.151738
8.179388
6.392102
7.433882
7.028596
7.519944
6.424940
5.584948
6.474380
8.762413
6.511490
8.059511
6.067385
5.764153
7.394696
5.672231
8.363720
8.526811
6.704489
5.081149
5.119724
7.661550
5.036103
5.499130
8.194647
6.942656
5.393780
8.430738
8.005921
7.319620
5.878903
6.805200
6.416395
7.767022
7.493576
5.885495
8.924650
6.343760
8.936857
6.323374
7.035920
6.840114
6.268807
5.739860
7.687429
6.383679
5.316263
5.202368
8.602863
5.382794
8.695517
8.977142
8.452834
7.180456
5.327006
7.928159
6.693503
8.793298
8.318918
6.941435
5.961180
6.113041
5.090304
6.745994
7.895688
6.943144
5.613880
8.509720
7.268715
7.245888
8.649251
7.582324
7.292276
7.976012
7.843806
8.763390
8.981658
7.875179
5.576891
5.466659
5.446883
5.602527
8.419752
7.160314
5.991089
6.575823
8.087588
5.453230
8.886929
7.898618
5.760247
7.206946
7.707450
8.748619
7.644215
5.043428
6.088504
7.601489
5.650746
5.629505
5.793939
5.666616
7.068880
6.106937
6.961333
5.907102
7.102573
7.046907
5.402203
7.022614
8.152287
8.304025
5.832148
5.766717
7.712455
8.141545
7.905576
6.975738
6.761986
8.007385
7.929868
6.683615
8.521805
7.331706
5.134129
7.697928
# Label of molecule (20)
0.622604
# Number of Instances of molecule (21)
4
10.357304
9.067647
9.539755
10.757885
12.305369
9.106947
11.179969
9.128198
10.373243
8.883116
8.625753
10.099110
9.398656
9.728948
12.685907
10.565902
11.557730
11.160602
11.481529
11.841984
11.719155
8.941414
10.935853
9.573083
9.632276
12.448692
10.637691
10.018114
10.942089
11.774455
12.343