# Number of Dimensions
30
# Number of Examples
60
# Number of Instances of molecule (0)
5
10.439476
8.906252
9.676434
10.513259
12.343070
8.995019
11.258157
9.142041
10.583681
8.740183
8.748219
9.998374
9.491029
9.525856
12.583009
10.813290
7.368779
9.248117
10.499215
7.396866
9.031655
7.556005
8.961494
8.919046
7.681581
10.366927
7.872821
7.883964
8.802273
9.510206
10.421705
10.178777
9.602710
9.323038
8.881619
10.117496
9.668142
9.427656
10.270089
9.729057
9.990051
11.711173
8.110111
8.297128
8.362560
9.615528
9.035798
9.923032
10.111637
8.876736
9.255654
10.389477
11.601306
8.072512
11.572497
8.487320
9.983581
11.569201
9.831477
11.176733
7.005905
9.290765
6.499664
8.675268
5.803232
9.168569
8.182943
6.228294
8.642918
7.563662
5.715094
9.315302
7.246879
8.573092
8.158040
5.642705
6.694128
5.935438
7.944533
7.753975
6.822184
8.082965
6.823160
7.264580
7.183401
6.654454
7.045701
8.496551
6.431303
5.845347
9.212226
8.166662
8.060579
7.741722
6.234474
8.791559
9.244209
9.518876
7.395276
8.862239
6.023530
6.003388
6.834346
9.132756
5.696860
6.760247
7.794458
6.322855
6.272683
8.233680
8.960509
8.357707
8.852962
5.670614
9.353221
8.068392
6.257302
7.443129
6.653432
8.729057
5.760247
8.733604
5.778191
6.753685
8.879604
7.210242
8.704306
6.702658
6.965850
8.895474
8.877529
7.100986
8.795618
7.043489
6.800562
6.965117
7.493942
6.699362
8.526933
7.734550
7.811945
6.124882
8.480422
6.881619
6.957671
7.687063
7.517624
8.921476
7.857967
7.582324
# Label of molecule (0)
0.870330
# Number of Instances of molecule (1)
4
10.489181
9.089524
9.582640
10.657843
12.425150
8.981150
11.214086
9.194857
10.561018
8.786314
8.592812
9.617553
9.306925
9.943276
12.411210
10.262607
10.936331
10.470025
10.945979
10.677793
7.722488
8.089871
9.609758
5.966822
7.667179
11.042249
8.342559
9.201479
8.928417
7.919304
8.699667
8.210028
6.593524
7.180212
5.382305
8.784753
7.416425
7.868221
8.300241
6.621967
8.877529
7.083163
7.240883
5.540269
7.678396
8.872036
7.930113
7.088656
6.529191
7.773980
5.834223
6.241462
7.134556
5.528062
7.423505
8.335154
6.577288
6.209113
8.270943
9.122898
7.615131
6.073092
6.546739
5.406568
7.245491
9.272774
6.415632
9.239570
5.875454
7.598895
6.869503
8.418012
9.324900
6.981445
8.843318
8.027619
7.675314
8.420331
7.323374
6.330302
7.261238
6.117771
6.020722
7.408582
9.120060
5.853847
6.442854
7.239143
7.278329
5.476638
8.863918
8.001221
10.306955
8.598651
9.734428
9.505295
11.856929
9.118320
8.202887
8.904447
9.507126
11.753533
9.964904
9.208167
8.019410
10.346873
10.802210
9.335978
11.750359
10.101993
10.760704
8.687521
9.010651
8.163213
9.788751
10.954558
9.826716
10.628498
10.210761
9.049226
# Label of molecule (1)
0.880818
# Number of Instances of molecule (2)
4
10.432517
9.153365
9.756497
10.755090
12.528742
8.918740
11.305127
9.274207
10.426249
8.925256
8.507718
9.868497
9.499860
9.775711
12.612091
10.243127
8.362287
7.518081
7.459816
10.798121
10.979596
5.452673
7.500770
6.247134
8.324057
8.435163
7.955103
7.871405
8.400286
8.346518
9.119327
5.767663
6.790155
8.077670
5.708457
9.272774
6.246315
8.789850
7.442518
5.613605
6.211158
5.776818
8.396771
5.987396
9.198798
6.251930
6.736320
8.771416
7.950957
6.215552
6.161229
7.258675
5.893033
8.469039
6.592883
8.793146
8.020905
9.463088
5.978729
5.676107
9.723960
8.859798
8.626148
6.307840
9.812708
8.982482
7.801050
9.518876
7.027345
8.661428
6.607654
9.012146
9.429762
9.701987
7.474258
9.731895
8.510788
7.132084
7.740013
9.921842
7.073733
6.626942
8.048616
8.324992
7.358165
8.329630
6.172948
7.221442
9.281930
9.446974
6.547624
7.865780
6.425550
7.239662
7.252846
7.928770
9.798578
9.263283
8.969817
8.836879
8.877529
8.254219
8.714682
6.597064
9.723624
8.231880
9.773431
5.982421
9.491928
8.526200
8.021058
7.643483
8.763634
8.166570
9.484359
8.616413
8.307443
9.105441
9.020112
8.607013
# Label of molecule (2)
0.901802
# Number of Instances of molecule (3)
3
10.478989
8.962618
9.494544
10.700073
12.345531
8.960408
11.003941
9.464297
10.237412
8.626931
8.431334
9.762606
9.701171
9.967051
12.565175
10.416188
8.967012
9.339259
7.843693
8.499661
8.073202
6.160645
7.350072
7.601551
7.895365
8.018183
8.821965
7.011019
9.640811
10.507538
9.394269
6.079348
7.950865
5.900266
5.993164
8.223823
6.728782
6.122929
8.719932
8.076968
8.877529
9.673696
8.766442
6.120731
8.597369
6.833766
9.676748
8.799280
7.923154
9.528916
9.833125
8.724448
7.487106
7.765313
8.339915
7.312540
6.118168
9.184912
6.681417
8.725547
10.670858
10.133366
9.469039
10.604083
8.209357
8.320200
10.282418
11.049165
9.369427
9.643605
9.684744
10.781823
10.326121
9.374554
8.982818
11.284524
11.649892
11.429426
11.829340
11.460921
10.479202
8.513443
8.173467
9.510544
11.093356
11.695425
10.048280
10.920621
10.256539
10.285104
# Label of molecule (3)
0.787486
# Number of Instances of molecule (4)
4
10.601331
8.913056
9.609176
10.589012
12.380976
8.833089
11.605465
8.996992
10.581419
8.510535
8.381511
9.612358
9.544276
9.551093
12.371099
10.442193
10.520540
7.577173
8.643753
9.117337
9.058022
7.132857
8.469349
6.126653
8.030500
9.641992
8.153826
8.703246
8.436500
9.880003
9.558351
9.290765
7.376400
7.368343
9.814951
6.725745
8.752297
6.052263
7.667425
8.969832
8.704077
7.723212
7.120899
7.572939
6.522248
6.284936
8.692602
5.954970
8.973495
8.170614
9.431272
9.730964
7.049486
8.289514
6.365749
6.872356
8.834819
6.747353
8.258873
9.080432
6.316309
7.520447
8.128864
7.596622
6.068987
7.635563
8.431974
7.215018
7.949171
9.061144
6.139546
8.033647
5.906629
6.484771
7.149586
8.263756
7.587710
9.475585
7.112964
8.876324
6.290551
5.996597
5.620853
6.236351
7.352840
6.754921
7.509705
8.511078
5.841319
5.760750
6.703604
6.754143
5.922330
9.622028
6.572253
9.191473
8.939634
9.518876
8.301187
7.368175
7.313120
6.241310
7.503922
8.453658
8.016755
7.401868
6.173925
7.009400
9.554643
7.103030
8.578417
9.691244
9.586383
7.259407
6.581530
7.784448
6.668203
9.693197
7.273690
8.952696
# Label of molecule (4)
0.769591
# Number of Instances of molecule (5)
4
10.381577
8.944701
9.510575
10.587526
12.506981
8.953717
11.498937
9.326566
10.154534
8.959332
8.458186
9.986702
9.191275
9.666304
12.244990
10.388805
7.310168
9.089536
10.165004
7.638676
9.117758
7.370644
8.298957
5.881748
9.080729
8.195949
9.137129
8.939076
8.152291
10.441111
8.856883
8.270806
7.405179
9.308679
9.051592
6.514649
7.578890
6.135975
6.627445
8.387753
7.065447
6.989883
9.747536
6.421506
7.560701
8.215018
7.490265
6.733039
9.211631
8.171438
8.926954
7.524567
9.313196
6.433958
8.032029
9.699683
5.778787
7.295801
5.806375
7.472320
6.374523
8.232368
5.171117
9.120212
6.098270
5.207495
7.187048
6.165899
7.916074
7.632862
8.877529
7.894711
8.502518
8.521928
8.620685
6.654317
6.460829
6.751488
7.476363
7.929991
6.585589
6.997833
8.570757
8.479934
8.961394
6.791528
8.253121
5.776360
6.273202
6.563005
7.436583
9.290765
5.993179
9.580569
6.519074
9.221915
8.882916
8.603488
9.335566
6.546785
8.220908
6.885418
6.417264
9.230705
8.161580
7.997024
8.735206
6.877972
9.271477
7.266655
9.150868
8.108478
8.601047
8.854717
7.702948
8.047929
6.529695
9.131703
8.104450
9.812387
# Label of molecule (5)
0.837967
# Number of Instances of molecule (6)
3
10.358143
8.881924
9.473806
10.743857
12.500854
9.098749
11.616244
9.105798
10.122128
8.782137
8.320880
9.948642
9.619276
9.778258
12.696798
10.254430
8.582710
9.716515
7.500630
8.939556
7.974031
7.933944
8.968907
6.865822
8.473798
8.257038
6.768566
6.673570
9.194794
10.041161
8.231635
7.041902
7.324747
6.187140
5.185278
6.461318
7.515549
6.460463
8.790124
8.113224
8.877529
5.806146
8.318674
6.985260
7.082064
8.462477
8.738853
6.438490
5.301126
8.456374
6.962432
7.653615
5.155492
7.265297
8.212714
7.851741
5.968261
8.690146
6.382336
5.662343
6.723914
6.480010
7.390561
9.380612
7.963210
7.399228
7.740791
7.705512
8.666601
9.061144
8.097980
7.913770
8.464080
7.510804
9.012436
7.142506
8.957991
9.396970
7.655828
8.517426
7.409482
6.106220
7.707099
7.000778
9.543580
7.670965
8.544038
7.452818
9.344356
6.824992
# Label of molecule (6)
0.797356
# Number of Instances of molecule (7)
5
10.669151
8.998965
9.721028
10.576556
12.502286
8.882572
11.490070
9.204343
10.538070
8.681138
8.418561
9.702741
9.472912
9.689172
12.846714
10.413741
7.524844
9.094321
10.291009
7.721971
10.455042
6.444700
7.675698
8.655830
7.987906
8.886334
9.753278
9.128197
7.106815
9.928408
8.987533
6.388699
8.625340
8.208090
6.985641
7.630558
8.684668
8.323206
7.733100
9.061144
8.813456
6.398343
8.670995
6.644078
8.478484
7.211112
6.804971
9.706915
10.033219
9.127918
6.214621
8.701514
8.941755
9.782968
7.335994
8.270837
6.214011
8.749977
8.392666
8.493622
6.306421
6.140889
5.660527
8.541719
5.727302
9.083972
6.996384
8.688696
8.894147
9.061144
5.276849
5.991348
5.586306
8.571505
5.399289
7.768136
7.879101
7.098193
7.846873
5.140858
6.338649
7.807932
7.099902
7.151906
6.993698
8.554292
7.258965
6.872723
7.453551
8.060259
9.051332
8.658254
6.509995
5.976775
8.379803
7.451430
8.457686
9.518876
8.112705
8.294595
7.746605
6.254006
7.462172
7.440077
9.548662
8.010285
8.165807
9.246040
8.819880
8.133824
7.370983
7.812403
8.901181
8.043733
6.292581
7.922147
8.327311
6.778069
9.019105
8.161412
10.207221
9.460372
9.025788
10.557085
11.849849
9.737602
10.717368
10.716758
8.967559
9.000275
10.418531
10.698691
11.298807
8.473281
8.418836
8.809229
8.837550
8.108158
10.491897
10.087832
9.405927
11.157079
10.682211
9.298746
10.998871
11.050996
9.302408
11.915769
11.277566
11.457991
# Label of molecule (7)
0.871305
# Number of Instances of molecule (8)
5
10.640554
9.028814
9.484457
10.535559
12.493156
9.204973
11.370892
9.070510
10.416989
8.704122
8.546109
9.620700
7.371241
8.389499
12.598423
8.606096
7.266268
9.375427
8.832874
8.829727
8.751177
7.128913
9.424208
6.844275
6.759949
10.770757
9.023159
7.545892
7.678756
10.951502
6.326197
9.290765
6.652989
6.695959
6.409940
9.054308
9.152821
5.727058
6.110004
7.978469
7.508850
6.683020
6.252220
9.119861
6.890301
7.852367
6.131367
8.917585
8.128864
6.687170
5.960341
8.354946
7.586123
7.523865
5.622440
9.332392
9.012680
8.451140
6.605869
5.625248
6.733070
8.547090
6.558504
8.688696
10.108173
8.232383
8.499847
7.592105
8.294641
9.061144
7.201956
9.034898
8.747414
9.739021
8.218711
7.343074
6.510773
6.553255
8.480926
6.924970
9.605960
8.722755
8.602268
9.678228
7.720893
9.957045
8.174520
8.545503
7.081591
9.602420
8.437101
6.809732
8.715064
7.057787
6.674352
8.736671
6.757729
9.339961
9.838633
9.061144
8.057817
9.281365
7.231498
8.981796
8.522065
7.840281
8.366420
8.978256
6.649815
8.474334
7.291192
8.347865
8.274865
8.236167
9.217277
7.953444
9.299432
10.016495
10.327296
9.556276
7.246864
6.719871
6.454726
6.499039
9.402326
7.004913
9.118381
8.337840
9.269631
6.963164
8.877529
8.212104
9.216895
9.129978
5.961058
8.305246
7.944761
6.520646
9.905393
7.218421
7.746879
6.355602
8.733238
6.752709
7.076571
7.994079
7.126011
6.841090
9.292215
8.456008
# Label of molecule (8)
0.754746
# Number of Instances of molecule (9)
4
10.596891
8.903644
9.701562
10.675356
12.295123
9.055080
11.459198
9.392977
10.096748
8.609183
8.340684
9.648147
9.382707
7.711500
10.479434
10.096370
7.672175
10.454557
10.944370
9.900219
9.430553
7.894216
6.952196
7.600742
8.570936
8.785915
8.176062
7.366632
9.156048
8.193100
7.904813
6.371807
8.239174
5.874111
6.443098
9.272774
6.412946
9.261666
6.270608
5.971160
6.142064
9.097720
9.127140
7.246345
7.842067
6.613514
6.130955
9.114200
8.681692
7.251106
5.878750
6.882443
8.741020
9.103702
6.754997
8.196936
7.317392
9.537065
6.827876
6.954344
8.975860
8.228278
9.443770
10.219428
9.003327
8.464614
11.739860
8.892483
8.160039
8.862087
8.234870
10.031678
10.053774
10.428053
8.350963
8.211432
11.370098
8.621723
8.681661
11.775872
10.159490
11.846553
10.837001
9.216346
9.334269
9.933042
8.437269
8.730369
8.752709
10.491043
7.398007
9.137440
9.642949
10.039323
8.218711
6.665807
6.926679
8.660985
9.030137
9.061144
7.309137
8.654881
6.151753
9.527223
7.812571
8.657567
6.180441
8.435270
8.548799
10.133930
6.463775
8.253014
6.251610
9.692511
9.786386
9.465087
7.958327
7.581240
6.639439
9.362667
# Label of molecule (9)
0.773635
# Number of Instances of molecule (10)
5
10.558150
9.089471
9.709314
10.522724
12.422092
8.834518
11.106259
9.432519
10.632332
8.515032
8.501656
9.882316
7.011003
8.113730
12.741643
9.797480
8.338384
7.148838
10.008993
10.664988
8.152655
8.358631
7.231794
8.018124
8.773689
8.353513
9.038520
7.784629
8.819334
8.096636
9.810144
6.675039
8.643361
6.233619
7.231208
7.218757
8.088900
9.518876
8.955504
8.427778
8.384442
8.856624
6.486923
6.306497
8.447676
7.696432
6.427107
8.284585
6.641346
7.512955
6.278054
6.124607
8.964049
8.865169
9.238960
6.978515
7.421033
6.043062
7.869778
6.967284
7.952300
9.113346
8.728080
9.122868
5.692709
9.272774
5.517411
8.320841
5.966887
8.264809
7.228889
7.240242
6.382550
5.475295
8.998596
8.272988
6.859127
8.133457
8.966247
5.722129
5.868984
7.906888
6.403668
6.050264
6.671865
6.645497
9.023011
8.712088
7.415296
7.648824
7.543138
7.395306
8.527421
6.485244
8.997284
8.723716
8.261055
6.108890
8.557695
6.307627
8.877529
5.988281
7.904233
9.508652
8.450026
7.801202
9.743278
9.448714
7.114292
8.523270
6.486099
7.294473
7.134190
7.863826
9.921873
6.687887
9.147313
7.285928
7.754326
6.700095
6.489044
9.290765
8.908307
8.832621
8.910627
8.013016
8.421110
5.941908
8.102741
6.419828
8.416105
9.456542
7.786325
6.441435
8.622410
8.683691
6.923139
7.187307
9.390622
9.115467
8.832743
8.916608
5.694830
7.051683
6.301416
8.156331
8.317347
6.807901
8.558809
8.344081
# Label of molecule (10)
0.752707
# Number of Instances of molecule (11)
5
10.448857
8.914381
9.612975
10.688482
12.043822
9.119616
11.601378
9.235607
10.578904
8.793363
8.008971
8.335344
7.859300
8.574148
10.618388
7.731954
10.478823
9.721634
7.290699
9.777699
7.755740
5.735092
8.947442
8.362469
8.928741
7.918600
6.815292
8.390293
7.574296
8.998544
6.906537
9.290765
9.435667
7.032517
5.779061
5.803842
8.883648
6.962691
8.211631
7.913892
6.881634
6.976119
9.053575
6.818155
9.027207
6.952315
7.669988
5.952773
7.376644
6.932905
7.286187
6.869549
9.442015
7.106250
7.481506
8.295495
7.774728
7.658269
6.206809
7.244194
5.930189
9.290765
7.478820
6.036515
6.902875
7.493835
6.873577
8.291589
9.381954
8.309046
8.313562
9.016709
8.567232
8.746315
6.057024
8.753151
8.091998
7.112232
6.208151
9.357051
7.055589
6.825846
6.900678
9.420652
7.203909
8.414396
6.069475
6.561068
8.635105
6.563509
8.768532
7.464293
7.676824
8.834941
6.753700
9.129627
6.265893
8.197836
9.197623
9.061144
7.010422
8.478240
6.244163
8.799661
9.173696
8.347987
9.888806
7.741523
6.750649
8.446013
8.698096
8.891461
7.841258
6.237449
9.678716
7.795969
8.607395
8.739967
7.669500
9.531129
8.496063
8.483612
8.846782
9.998428
7.078173
8.617893
8.424284
6.861614
8.827128
9.061144
7.632878
8.900372
9.424924
6.603793
7.084277
6.385525
9.322382
7.950636
6.508698
7.708197
8.147786
9.410886
7.314875
9.674932
9.261834
6.768715
8.736305
8.671728
6.838054
8.209799
# Label of molecule (11)
0.651858
# Number of Instances of molecule (12)
5
10.428396
8.994857
9.670455
10.670085
12.027818
9.059697
11.036359
9.051440
10.493608
8.551834
8.446920
10.065727
9.443045
7.841198
10.619154
10.739595
9.208350
7.266132
7.516150
10.218517
10.496227
6.085904
7.772180
7.540047
6.111957
11.292939
8.294221
8.411883
7.875236
8.846974
10.367260
10.487136
9.321574
8.252083
11.397198
9.612110
10.800378
10.319407
10.987274
10.415113
10.402173
9.776299
8.584124
9.235878
10.002991
8.266732
8.165288
10.806238
8.403211
8.322520
9.805109
9.184606
10.498978
11.294412
9.420331
8.277963
11.320536
11.806391
11.570788
9.322916
7.892758
8.407910
6.939482
7.411420
7.817927
9.185644
8.752281
7.335612
6.012207
5.712638
8.877529
8.444411
9.327982
8.708579
9.197119
9.118625
7.707327
6.171026
7.169225
7.732475
7.685232
7.499802
8.437696
7.272378
9.072970
6.203619
9.308206
7.478439
9.695425
8.570635
8.676366
9.290765
8.928327
6.753212
7.441099
7.702948
5.905042
5.562136
5.572146
8.301111
6.194357
6.699988
8.047075
8.528047
9.152455
5.378536
8.991073
5.491577
7.864208
5.408444
7.118580
7.275933
9.190298
6.505158
7.353816
5.835582
6.679601
6.118427
5.505860
6.854289
7.110279
6.172506
6.579012
9.244499
7.893139
6.747963
9.159047
9.387692
6.278588
9.061144
6.612217
9.103870
8.087237
5.621830
9.238029
8.529389
5.846568
8.492401
6.716712
6.504913
8.169515
7.784249
7.594180
6.568758
6.311670
6.742225
6.632237
8.474456
6.785440
8.788919
# Label of molecule (12)
0.762778
# Number of Instances of molecule (13)
4
10.644434
8.882265
9.674008
10.560606
12.340959
9.216647
11.546853
9.123788
10.199246
8.587314
8.364757
10.135479
9.246580
7.443686
9.959069
9.429160
8.034642
9.848833
7.777702
8.553076
8.807880
7.415469
8.327281
7.635541
8.598310
10.551747
7.714272
8.542151
9.205251
9.141911
5.361064
5.809565
7.821467
8.571856
8.036561
7.351604
5.669424
6.354991
5.898801
5.569811
8.877529
8.292795
6.623798
9.056001
7.712088
6.373180
5.712027
7.587695
7.855281
6.161504
7.363079
6.487564
5.772820
7.233680
7.932188
6.849025
7.606128
7.663503
5.351299
7.505051
8.251289
6.980743
7.350139
8.061464
5.957030
7.100253
6.412366
8.956877
6.247444
5.638173
8.877529
7.158727
8.896329
6.535783
6.218024
7.713431
5.889523
7.072298
7.927061
7.240761
5.485702
7.661916
7.574633
7.304483
5.861446
6.517106
7.387005
6.837672
5.718863
7.054109
9.503174
8.192099
6.109516
8.102252
8.955794
7.765938
6.523225
8.364711
6.505524
9.061144
7.482238
5.942885
6.368679
8.836894
5.758553
9.160268
6.860027
8.842998
8.250816
7.409726
7.641057
9.053819
8.726417
9.462035
9.553346
8.769631
6.090350
7.827952
6.412626
7.459166
# Label of molecule (13)
0.708556
# Number of Instances of molecule (14)
3
10.556210
9.142680
9.603951
10.537811
12.195990
9.010024
11.136888
8.937511
10.561568
8.681155
6.297013
10.103440
8.231330
9.364824
10.889512
8.860123
9.256962
7.572499
8.692614
9.810694
11.028831
6.794262
9.064171
8.421344
7.942657
9.990711
8.071007
9.220266
9.648406
10.769781
8.269082
6.057588
7.714621
8.392132
9.819666
9.272774
9.413038
8.142613
7.378674
7.617084
8.017731
6.493027
7.748314
8.742973
9.062929
7.947417
8.525071
7.140141
8.644215
9.004578
6.210547
6.253517
9.601886
6.366680
6.186254
8.126255
9.758995
7.109378
6.432356
8.939512
9.327631
9.290765
9.151112
7.108692
6.619175
6.799722
8.886944
8.394253
6.403836
6.379177
8.610813
10.111469
8.707862
9.262566
7.789987
8.624485
6.504669
8.125324
8.449431
9.866588
9.262200
7.892285
8.292688
7.736152
7.356014
9.065783
8.877056
7.453673
9.224967
7.954787
# Label of molecule (14)
0.690069
# Number of Instances of molecule (15)
5
10.366521
8.957480
9.337711
10.364640
12.460295
9.119425
11.236725
9.332326
8.974350
6.428289
6.878762
7.808760
9.020218
7.743508
10.027890
8.583082
8.914492
9.729647
9.044645
8.114681
7.973681
6.421229
7.343434
6.485869
9.090535
9.509295
9.232946
8.315662
7.665657
8.102759
8.533540
6.843547
9.883557
9.690558
7.525819
8.215659
9.592410
8.910382
7.520203
9.061144
8.523774
9.905042
9.192740
7.370052
8.293054
7.307794
6.372829
6.182760
7.733345
9.925916
8.225059
8.585177
9.666509
10.028947
9.952528
9.758675
6.634556
7.379452
6.400540
8.961043
9.181127
6.557756
8.813684
6.967193
8.206610
7.497238
10.005005
8.115421
9.724479
7.814020
8.877529
10.085208
8.272530
10.087771
8.438063
9.792718
8.648152
8.444166
6.985260
6.417982
6.775903
8.488479
7.068392
9.130955
10.100223
7.292886
6.406018
6.558977
7.875179
8.313791
7.235481
7.620258
9.318186
6.872188
8.384564
9.272774
7.901395
5.901700
7.865505
7.313486
8.333537
8.078768
6.172338
7.130741
8.856624
9.571490
8.663625
7.654805
6.578600
8.401166
9.118229
6.228858
8.619678
6.606677
7.814966
6.534043
8.218909
9.149358
6.511216
8.444868
9.036332
9.030839
8.353694
9.678686
7.820841
7.525788
9.535249
7.901776
9.876812
8.277886
7.192404
8.627873
9.747536
9.702124
8.646184
8.245415
6.946547
9.252159
9.157552
8.086108
8.200858
9.227866
9.261437
7.026139
7.217917
8.638249
8.060961
9.829814
8.351253
7.994186
# Label of molecule (15)
0.577227
# Number of Instances of molecule (16)
5
10.531512
9.066339
9.559557
10.271480
12.329270
9.006103
11.048386
7.212126
8.043731
8.891983
6.476332
7.706720
7.542269
7.587167
12.565380
8.117074
8.500655
6.985583
10.379994
8.742048
8.482717
8.064091
6.832036
5.842397
6.925624
11.250141
7.965200
8.669304
7.093056
8.764489
7.670431
9.120548
6.863887
9.790613
6.177343
6.305277
6.849116
9.518876
8.251015
7.596454
6.135838
7.619892
9.016785
8.003449
8.459639
8.698660
8.130894
9.124943
7.179205
6.659047
9.463210
8.856624
6.752312
7.846950
8.834773
9.060854
9.954314
8.089877
8.685476
6.571886
8.198065
6.564226
6.088137
8.645711
5.843013
5.747917
9.360576
5.815058
5.995605
7.541429
8.877529
8.426588
7.464766
9.564928
7.501511
8.020814
9.585925
9.600818
7.307779
8.731407
8.841884
9.491195
9.498154
8.113590
6.537980
7.993469
7.056185
6.872829
6.406873
7.974181
6.807642
9.101413
9.041719
6.540300
7.658254
8.677816
6.350963
6.450209
5.814447
6.826685
8.877529
7.064486
5.987671
5.621937
7.579028
8.454054
8.911710
6.374523
5.715934
8.075137
8.900845
7.715995
9.202979
7.286905
9.463363
7.642750
8.701254
5.765862
7.843440
6.897000
9.307855
8.997177
5.806284
5.544435
6.415311
6.657018
7.261895
7.665960
7.234428
9.061144
8.686377
8.697485
8.597140
8.581027
6.101825
6.833659
6.353786
9.399167
8.423063
7.947951
5.870006
7.780709
6.245628
5.796152
5.575198
7.305231
7.377132
9.120350
8.444060
6.433988
# Label of molecule (16)
0.567321
# Number of Instances of molecule (17)
5
10.642880
9.105608
9.713467
10.511039
12.174565
8.972163
11.198478
8.696758
7.814029
8.214394
6.560612
9.754495
7.758484
9.527270
10.375164
9.709406
8.672235
7.035104
10.579922
9.809425
9.541624
7.328319
7.761115
7.274100
9.117909
9.765843
8.078311
8.598409
8.950542
7.600454
6.199469
7.869564
6.435438
7.700613
8.286447
7.382733
6.080691
8.759972
9.087863
8.706503
8.877529
7.894467
7.101596
8.897427
6.049318
8.345042
6.285531
5.584460
5.584216
5.234107
8.702841
6.632588
7.814020
8.991058
8.129826
8.548051
5.892087
6.706809
5.998169
5.501450
9.496216
9.290765
8.921491
6.773110
6.520173
7.434141
6.222678
8.878643
7.557436
5.977798
6.211203
7.564516
6.934492
5.948866
7.015671
6.344752
9.512207
8.036576
6.322047
7.048509
9.518799
8.693335
6.640660
9.183096
9.344356
7.977981
8.471282
6.225974
7.671331
7.016282
9.024842
7.662130
8.609302
6.770501
7.864284
7.982452
7.724998
9.518876
9.224677
8.072176
7.007202
8.178747
9.105045
9.897427
9.083438
8.256264
8.613086
9.676595
8.431196
7.506119
6.985473
8.418378
10.332987
7.232063
9.570391
9.203070
8.728935
7.516984
8.144566
7.079836
8.862117
7.376476
6.379864
7.796777
9.692221
6.780023
7.640645
9.518876
9.509720
7.850978
7.240364
7.059816
7.830348
6.463851
9.899136
9.636677
9.352123
6.834712
9.980071
8.148228
7.164068
6.497543
8.131504
6.413678
7.915799
7.022462
9.827723
7.339976
8.322550
8.350871
# Label of molecule (17)
0.609956
# Number of Instances of molecule (18)
5
10.644318
9.082546
9.784699
10.488497
12.174066
8.806536
11.461544
7.446523
9.391425
8.423292
8.841530
8.461683
7.615631
7.783194
10.627032
10.499648
7.837664
7.708712
10.032906
9.991474
10.155781
7.372471
8.119270
7.007344
6.080803
10.716483
9.099533
7.642633
7.615023
10.979460
5.370586
5.159398
5.315531
8.757530
9.096286
6.388928
8.915372
6.079348
8.873989
7.382611
8.877529
8.278512
7.300089
5.826777
6.996368
5.265358
5.992676
5.136814
8.116153
8.364818
7.442305
6.474258
7.242592
5.860591
8.605304
8.662435
5.586901
7.875668
8.114078
8.375072
7.854549
7.849055
8.434278
7.659841
9.537950
9.246193
6.406629
6.122684
7.259438
7.159948
8.877529
9.353984
8.430006
6.150639
6.508072
8.885952
8.071352
6.800317
8.942839
8.426954
9.105686
7.417890
7.859432
8.593707
9.385357
8.641560
7.949278
7.978454
9.341533
9.316141
7.695975
7.589160
9.439802
5.982299
5.680654
6.171758
7.053377
7.907773
9.219214
5.717032
8.877529
9.295633
7.504929
7.252724
8.159246
6.643452
9.432966
7.621509
8.562334
8.887295
6.325083
6.872829
7.154698
7.319987
8.399121
9.554430
8.326853
8.847255
8.853359
8.275094
9.869686
10.342845
8.017945
9.180090
9.858821
9.300821
11.275613
8.936796
8.196295
8.110721
9.782037
10.402295
8.827784
9.861751
9.088900
10.383862
10.989471
10.750572
8.097659
11.888424
10.372265
9.161657
9.985900
11.229102
9.027619
11.645131
11.061495
11.468612
11.890011
8.168096
# Label of molecule (18)
0.581090
# Number of Instances of molecule (19)
3
10.433492
9.071101
9.461177
10.417064
12.421109
8.822130
11.514150
9.463489
10.459500
7.699101
6.854960
9.381436
8.532339
8.733541
11.227268
10.833690
10.740617
8.570280
7.700099
10.158180
9.767849
7.881615
7.279039
8.181192
9.140891
9.751378
9.280854
9.341607
7.756027
8.771189
10.587848
8.980132
8.867336
11.002045
10.553423
10.471633
9.579394
8.322275
10.479812
10.267159
10.151799
10.773522
10.359691
11.683218
10.041566
11.681631
10.379589
11.754021
10.928922
11.381329
11.374859
8.031129
10.198920
9.997620
10.182073
9.314493
10.759606
8.843654
10.266060
11.186010
8.060625
9.290765
7.322687
6.190817
7.002243
6.840861
9.252678
7.913404
8.623997
6.211814
8.447844
9.557619
7.761299
8.180990
6.705725
8.196982
9.236076
8.676611
6.309107
8.441618
9.999649
9.515870
8.694311
8.656590
7.172292
8.072344
8.457488
6.797037
8.358608
6.748207
# Label of molecule (19)
0.640789
# Number of Instances of molecule (20)
3
10.429960
8.976740
9.615492
10.498360
12.439086
9.195251
10.461444
7.359322
7.721399
6.777769
6.834800
8.936037
8.527028
7.974318
9.609935
8.407127
8.037975
7.813765
10.483924
10.224516
8.275743
5.816086
8.960830
7.048515
6.130240
9.692800
9.625021
6.740312
8.654665
7.831852
8.458663
7.191778
7.932524
6.678457
7.681417
9.272774
9.828578
6.575060
6.487167
7.836695
8.721610
6.972289
9.730918
7.393689
6.586901
7.244636
6.785638
9.962249
8.491501
6.356059
6.155736
8.112827
7.686300
8.276772
7.019044
7.349620
8.317667
7.670675
8.573901
9.200629
8.234550
8.563295
9.701025
8.222953
8.539979
7.670812
7.586703
8.542665
10.173818
6.574465
8.254326
8.286309
8.607852
10.156240
6.833140
8.744942
7.765786
7.567537
8.571352
6.780038
6.573489
6.462401
7.366359
8.926710
9.439177
7.563997
8.912915
8.769723
9.537324
6.944105
# Label of molecule (20)
0.469585
# Number of Instances of molecule (21)
3
10.580802
8.878008
9.676816
10.540843
12.017344
8.866786
11.306544
7.158689
8.583289
7.436733
8.625703
9.574529
8.289300
7.264773
10.449784
8.777778
8.304022
10.009306
10.586705
8.528041
8.879982
6.438832
9.846536
6.796022
8.729461
7.857511
6.992532
7.934410
9.273717
9.018183
7.306772
8.054109
6.249855
5.584796
8.604663
9.272774
8.596606
7.517960
7.482803
8.086825
8.825129
8.610645
7.598041
7.340220
9.341258
5.543779
6.900632
8.550096
8.582080
8.243080
6.240944
9.312449
8.494308
8.233070
8.312662
7.325694
7.285409
5.797205
6.305765
6.905026
7.959655
6.177374
6.372448
6.481460
8.514847
6.957793
6.166753
8.854701
6.621357
5.862423
8.877529
7.884335
8.339549
8.295846
8.108463
6.458510
9.284158
7.862362
5.975097
7.080355
8.419507
9.210913
9.270852
7.161046
7.189978
8.494339
5.904660
8.116886
9.360942
7.322916
# Label of molecule (21)
0.553748
# Number of Instances of molecule (22)
4
10.643266
9.147172
9.694074
10.571967
12.231034
8.909107
10.985840
7.269019
9.468888
6.313799
6.442704
9.714368
8.823446
9.494429
10.949032
10.257079
7.800429
7.206038
7.513046
8.362028
8.171672
6.936048
7.190745
6.709936
7.320099
10.860776
6.454905
9.006441
8.571229
8.327687
8.583544
9.105533
7.719016
8.327067
5.824671
9.272774
5.974578
7.357677
9.242500
7.786889
7.265755
6.687857
6.767449
5.928922
6.549913
7.793359
8.086215
6.952879
5.642537
8.898007
6.358379
5.625690
6.384014
8.478561
7.553240
8.042024
7.611957
7.481582
7.276131
8.085482
8.994369
8.945662
9.359737
9.193472
7.353572
7.881909
6.026627
5.513184
6.912275
9.061144
6.110858
5.946303
7.568056
6.243309
6.433134
8.164632
7.000900
8.142293
7.542787
7.537049
7.829539
8.652806
5.822886
8.822489
7.384091
6.352199
8.399991
7.573672
5.970962
7.650945
10.058290
8.517228
9.311197
9.605152
10.939909
9.840266
10.015198
9.494797
11.041841
9.089022
8.313364
9.957945
10.697226
11.597034
8.108036
9.706351
11.548936
8.130985
9.401532
11.598010
9.142735
9.807550
11.338481
10.517411
11.139012
11.281106
9.052644
9.967345
9.013581
8.581317
# Label of molecule (22)
0.583079
# Number of Instances of molecule (23)
5
10.357593
8.948461
9.694386
10.385493
12.685110
8.974985
11.019763
7.374830
10.239876
7.632930
8.469424
8.661759
8.892307
7.339150
12.404982
9.301564
7.934085
7.675215
10.737428
8.515697
9.953473
6.589661
9.892343
8.194343
7.748484
11.485888
8.009671
7.522123
7.412489
8.459502
8.610569
7.541810
7.288873
6.774209
7.246757
5.135243
6.347560
6.606967
5.536256
9.061144
7.839793
8.306238
5.239616
9.041490
7.088061
5.346431
7.012009
6.140645
8.959578
5.535035
6.693640
5.682623
8.121662
6.097797
5.874157
5.972549
8.008255
8.256554
7.104663
5.699591
7.098758
7.858303
6.262185
8.106357
8.505661
9.272774
8.513840
6.845210
9.110172
7.080935
8.098788
6.807611
7.526872
9.743370
7.910428
9.336619
8.246010
7.933378
7.336436
9.573321
6.610462
6.392315
6.700919
7.979644
7.067995
6.589587
9.419263
8.353435
9.070742
7.061647
8.241646
5.548814
7.172399
8.653157
7.724052
6.347545
6.085208
6.137944
8.735435
6.396619
8.877529
6.669820
5.838740
6.112918
6.857448
7.429609
7.952330
6.497940
8.276803
6.360729
8.015687
7.929624
6.960356
6.130131
8.928312
6.759789
7.648244
7.580248
8.137150
8.590899
9.029267
6.889187
6.377453
5.713736
6.814112
7.120029
8.216498
8.643635
5.996582
6.002441
8.877529
8.660848
8.181341
5.129002
8.927580
6.752709
7.308878
8.548051
7.825861
7.134190
8.008850
8.492141
8.741905
5.645375
7.226478
7.914853
7.084506
6.642354
5.497421
6.703513
# Label of molecule (23)
0.567503
# Number of Instances of molecule (24)
5
10.409093
8.884820
9.743259
10.495156
12.455112
8.994081
11.508231
9.029781
10.367324
7.325504
7.686248
9.315799
9.055144
9.559555
12.386163
10.780282
9.154451
8.950318
7.903821
8.836995
9.865736
7.169506
8.786123
7.095959
8.675938
7.941194
7.835225
8.592908
9.441028
8.560240
8.836161
8.816507
8.786599
6.973312
8.011673
8.490326
8.141316
8.477752
9.276360
9.061144
8.314539
7.697333
8.230064
8.143880
9.812632
6.398709
9.170278
6.644810
7.799142
6.873211
8.696875
9.953749
9.367916
8.938459
10.121845
6.847819
9.307855
6.588412
7.558657
7.481994
7.824366
7.096438
6.227515
9.197821
5.481399
9.272774
8.280801
8.196570
8.763848
8.978088
8.343425
6.213599
6.103000
7.617328
6.634144
7.818751
6.999512
8.335734
6.994385
9.274728
8.564623
9.398755
6.597644
7.226081
7.867946
6.283547
7.152348
6.036836
6.964232
7.856716
10.029603
8.566179
9.843074
8.407971
8.153325
10.697470
8.731468
9.352702
10.983367
10.386303
10.036805
10.249458
9.001984
9.671316
9.659352
11.065279
9.631031
8.280282
11.586535
8.128056
10.712119
9.198401
10.040345
10.503250
10.791223
11.946532
8.118046
10.018250
11.082858
10.946257
8.215613
8.572069
6.420637
8.504685
7.275765
6.907590
9.140202
9.518876
9.418165
6.975951
7.651021
9.799646
8.394208
8.292764
9.503616
9.305002
6.266335
9.512650
6.300150
6.521958
9.825282
10.183569
8.280557
6.530015
6.811762
7.213996
6.398541
9.714560
8.819269
7.424940
# Label of molecule (24)
0.734496
# Number of Instances of molecule (25)
4
10.565932
8.955407
9.369591
10.794712
12.560938
7.466931
9.873993
8.119849
8.121099
7.079272
8.367525
8.633828
8.018446
8.520030
9.716174
7.830058
9.175482
7.546236
9.672138
8.262351
9.277831
5.811853
7.740425
8.899623
7.266372
8.157455
8.036956
6.517457
9.568052
7.955117
8.470428
7.006394
8.855083
8.260216
9.150380
7.813547
9.065783
7.258232
7.352718
9.061144
5.314814
6.921430
8.079058
5.506104
7.323664
8.749367
6.868084
6.387234
8.178060
6.086566
7.925733
6.884686
7.767891
8.220664
6.966475
9.073595
6.874065
9.158315
8.141072
6.242821
7.444838
7.479141
8.299966
6.508652
9.858608
6.261574
8.981506
9.518876
6.909055
8.259194
8.658742
6.880490
7.606830
7.785424
6.824946
8.889706
9.448195
8.100131
9.006531
6.496323
8.733451
9.307321
9.888760
9.339183
6.595813
8.745048
10.091159
7.459975
8.116489
7.743553
9.722159
8.446486
9.617176
8.584185
9.306497
7.637745
7.580493
8.308420
7.788751
8.785730
8.877529
7.584155
7.031526
9.728996
7.367718
6.222663
8.832728
7.217444
7.110996
8.998016
9.430891
9.247291
9.182470
9.619007
8.721885
6.888943
7.133824
9.380840
7.560595
7.482223
# Label of molecule (25)
0.412173
# Number of Instances of molecule (26)
4
10.299958
8.754542
9.400544
10.319730
12.030008
6.947889
11.299962
6.975070
8.195011
7.100728
7.613233
8.604129
7.064427
6.838064
10.662463
6.597900
8.380790
10.130606
9.503251
10.431715
7.795758
6.637084
10.133879
8.636408
9.206262
11.641658
8.948826
6.929433
7.322008
7.303784
6.334620
9.290765
7.528748
7.813303
7.081225
8.937849
5.724738
9.096667
6.168111
7.737495
7.413266
8.337733
8.390469
6.062029
5.592410
6.968795
7.884228
7.320734
9.340693
8.636448
9.336543
8.148640
7.662786
6.792154
6.688513
7.243461
6.017838
6.370876
9.205191
9.227409
7.023728
6.142109
8.088214
8.851543
8.635838
7.535096
6.510773
8.597873
9.730232
9.061144
6.666662
7.886059
6.533113
7.239921
9.225944
7.481140
9.077258
6.295923
9.746834
6.498688
6.847942
8.034867
8.460906
9.184805
6.925092
7.367977
7.737007
8.779031
6.489166
5.861461
7.179373
9.290765
7.290094
8.023148
7.527772
7.927808
7.578555
7.003464
7.467223
8.059526
6.355129
6.099872
6.624302
6.946455
8.680029
7.753975
6.396268
7.722114
8.810526
6.394559
8.036210
8.956282
5.923109
6.404935
6.230857
6.867962
6.515656
8.174276
8.045488
6.561068
# Label of molecule (26)
0.341267
# Number of Instances of molecule (27)
3
10.260580
9.042756
9.393928
10.307866
12.312876
8.172577
8.632993
6.784806
8.086159
6.898267
8.463749
7.652628
8.126398
9.072777
11.480259
7.641781
7.880531
8.356947
10.271349
9.538773
10.001542
5.952486
7.271515
8.316644
7.922331
11.266997
7.440894
6.429955
7.343693
9.235486
7.632069
6.664388
9.888852
6.961150
7.940306
6.540971
9.837092
7.541734
8.608783
8.955962
7.020722
6.164251
6.161077
5.906308
6.265328
9.362468
7.830073
9.704031
8.158086
6.830164
8.495621
8.571673
9.387738
7.874874
6.272530
6.920499
9.173376
9.236854
9.121738
7.181372
6.384915
7.592349
7.627018
8.054888
8.463958
7.659734
6.403104
5.650029
5.906995
9.061144
8.459563
8.102985
5.760506
6.340236
7.329768
7.718085
8.447111
7.164113
6.445097
6.863201
8.392178
5.856700
6.663488
5.859020
8.299524
8.614475
6.884075
9.236808
7.448912
7.273858
# Label of molecule (27)
0.369911
# Number of Instances of molecule (28)
5
10.288241
9.258013
9.556525
10.391279
12.382357
8.866462
8.415483
7.490035
8.834205
8.746767
6.526053
7.295309
7.013118
9.124377
9.901926
8.430492
10.098658
8.652520
9.271016
8.891333
8.930968
8.228098
9.842996
8.783695
7.615188
11.437352
9.380323
8.440117
7.243746
10.358048
9.161321
6.418928
8.220008
5.398511
5.575762
9.272774
6.279763
7.513443
9.206488
6.217383
6.384991
5.765099
5.846767
7.233283
6.788812
9.237861
6.530381
8.971984
8.112583
6.229591
8.940245
8.659963
8.110019
7.902860
8.498459
9.088443
8.800104
7.956572
8.010163
6.064425
9.116031
8.075472
8.402142
6.271828
8.155553
9.272774
9.130558
7.127445
8.997986
6.826655
5.776452
5.819788
6.139500
6.456404
8.770928
6.904904
6.625233
7.189459
8.314615
9.007630
9.395947
6.452010
8.581225
7.159917
9.314768
7.247322
9.286569
6.161473
6.748894
6.792962
9.504883
7.919019
6.502472
9.001938
8.449675
9.058824
9.002915
7.430601
8.547578
9.061144
8.478607
9.620975
5.716559
7.728095
7.006638
5.693609
7.231986
6.306299
7.336604
8.194662
9.010849
7.766060
6.530427
9.119495
8.576144
6.165670
7.969802
6.961837
6.576327
8.477752
7.729804
6.245872
8.321375
9.315058
6.094256
8.474090
6.306543
8.571139
9.475951
9.061144
7.260430
8.488128
7.933058
8.235191
8.374844
6.845744
9.189932
9.306635
7.916700
5.704474
5.858531
6.132710
6.305078
7.116993
9.340938
6.671422
8.556490
5.865001
7.284845
7.993240
# Label of molecule (28)
0.412496
# Number of Instances of molecule (29)
4
10.389832
8.793567
9.701692
10.341418
12.643192
7.096859
9.332199
8.065969
9.103360
7.311515
6.213748
8.162361
8.079206
9.132256
8.244208
8.314181
8.865535
10.141957
9.552227
10.488937
11.075149
6.937780
8.064723
6.381979
8.647441
9.345874
9.540161
6.678967
7.342702
9.185117
8.010208
9.290765
9.069079
5.954970
8.040361
7.821360
7.430235
5.926038
7.392270
7.113697
8.174764
7.678777
6.178610
8.996200
6.681677
8.491424
7.367244
7.676336
6.821207
9.522462
6.621738
5.693976
6.042253
7.587222
8.229453
9.240959
7.483459
8.489837
6.488922
6.722205
6.283822
8.785241
9.205786
7.187048
8.121403
7.595264
8.688314
6.432630
8.247383
6.466811
8.877529
7.661550
6.232429
8.749718
7.092318
9.257302
6.638936
9.075045
7.498825
8.229438
8.049013
8.746055
8.884610
8.928678
9.180639
9.495224
6.456923
8.314646
7.461837
9.483261
7.311823
7.284845
6.914838
6.399808
6.289941
6.524323
8.460662
8.885723
6.513703
9.061144
7.010788
9.788949
9.355342
7.234428
7.918409
8.816996
8.814798
7.068041
7.238701
6.549593
7.737373
7.097339
6.191671
6.090960
6.114765
6.564241
6.647862
6.275781
8.848857
6.853923
# Label of molecule (29)
0.353512
# Number of Instances of molecule (30)
3
10.424481
8.964025
9.577191
10.626547
12.252330
8.532892
8.705090
6.997668
8.126091
7.629582
8.837803
7.297817
9.032100
8.857025
11.281129
8.239950
10.971497
10.410154
9.882069
8.836764
8.631940
7.260311
7.893999
8.257871
6.047914
8.019976
9.248736
7.188307
9.164194
7.333359
7.132572
9.087710
6.945067
6.395611
8.119785
9.272774
5.746055
7.973174
5.681478
7.981475
7.529801
7.687643
8.543748
8.916196
7.307871
5.946989
6.421003
6.692129
7.956694
6.152318
7.719260
6.675405
7.743675
7.375134
8.605518
7.843287
9.409497
6.495224
9.320383
7.043703
7.868725
9.290765
6.337306
7.306452
9.392575
8.895611
8.181967
8.733863
9.033189
5.745613
8.640599
8.558687
6.912397
5.858531
8.705176
8.158406
9.043809
6.520173
5.978286
7.227958
8.471404
6.810099
7.137501
6.643956
8.778176
8.149739
8.954207
7.791086
5.835093
7.249321
# Label of molecule (30)
0.447408
# Number of Instances of molecule (31)
3
10.763922
9.063341
9.588986
10.778888
12.416056
7.730895
8.677736
6.748826
10.464012
8.759040
7.933584
9.765388
8.053732
7.604189
11.739427
9.737420
8.011658
7.742765
10.255714
8.206975
10.420508
7.057250
9.211660
7.673981
7.704257
10.748163
8.979762
8.317946
7.895490
10.325816
11.791131
10.772912
11.290994
8.167241
8.545061
10.398633
8.248177
10.894742
9.661550
9.348308
8.875881
10.700522
8.069338
9.230628
8.021851
11.101291
9.177160
8.256966
9.999451
9.824274
10.772912
11.581164
11.827631
11.190649
10.947722
8.192389
8.931181
10.738365
10.416700
9.240638
6.721702
5.769768
8.232490
6.169683
8.049013
6.101810
7.463546
8.624104
7.634083
6.336436
8.877529
5.557848
7.002350
6.718772
7.822810
5.692618
9.014496
7.342814
8.938200
6.800684
8.453200
7.428266
7.578784
6.524552
5.634754
6.151982
8.705771
8.439650
5.418073
7.909604
# Label of molecule (31)
0.499195
# Number of Instances of molecule (32)
5
10.180396
9.010639
9.592403
10.444344
12.250660
8.812885
9.534762
8.176122
10.311581
6.368040
5.894644
7.188759
8.559668
6.797566
8.327847
9.245205
10.880593
10.108572
9.993013
9.629336
11.174320
7.859780
10.233459
7.708375
8.915667
9.112279
8.167683
7.405349
9.546038
9.941578
7.788995
9.015961
6.739280
9.940550
9.087130
9.296731
8.810999
8.993377
6.642109
8.287179
8.877529
9.518174
6.628437
9.868892
6.976348
8.060610
8.061708
7.361126
8.375317
8.674642
7.949889
9.324320
7.267129
7.908261
10.000855
8.822108
7.707450
7.188269
7.757866
9.521470
6.575350
7.536195
5.617191
6.615757
6.101825
9.186514
6.298120
7.011277
9.161245
9.061144
6.588168
9.575930
9.220450
7.073168
8.635716
7.088183
6.333766
8.898663
9.159291
7.878246
9.232170
5.965346
9.580447
6.500763
7.966506
5.904553
6.397244
8.807108
7.982376
6.836711
6.492096
6.863811
7.534364
8.571993
6.056291
6.176046
8.504242
6.945479
6.161763
9.061144
7.601382
7.753243
7.786935
7.307672
8.054399
7.601016
7.743599
8.291833
8.501556
8.188681
5.703619
9.153188
7.560976
8.671117
8.780496
8.433439
7.643132
7.418027
8.540498
8.551119
7.755165
8.922193
6.480224
7.037004
9.151204
8.485534
7.777871
9.195517
9.579073
7.554109
8.375668
8.372005
9.747536
9.636448
7.550447
8.592593
6.944716
9.151570
8.329035
10.021104
7.002457
7.794961
8.495544
7.006363
8.815256
7.363063
9.840922
6.530396
8.288873
8.415586
# Label of molecule (32)
0.437892
# Number of Instances of molecule (33)
4
10.760177
9.056293
9.749621
10.303672
12.225851
6.816256
8.631875
8.559488
10.505287
7.413818
6.638032
7.291481
5.981351
8.964542
9.409692
9.526270
7.650340
7.267579
9.819067
8.476011
10.031409
6.311859
7.174259
7.084427
7.448798
11.295330
8.967194
7.704808
7.934236
10.277758
7.539567
8.533006
8.021760
9.680013
6.560533
6.040376
9.858608
9.518876
7.703635
8.156529
7.835841
9.643757
9.447218
7.161260
7.602191
7.451552
8.329508
6.264626
9.529984
6.750237
7.687643
7.488662
6.137425
6.152562
8.858821
7.791528
9.911832
8.899960
6.216529
9.309885
9.689917
7.863689
9.741798
6.759774
6.510987
7.971969
7.815836
7.155904
9.638524
8.324519
8.069018
9.662694
8.801706
10.156240
6.351924
7.309351
7.613681
8.471618
8.781808
7.720130
6.498169
6.364742
6.852184
9.444914
7.078387
8.580752
9.943831
6.720954
7.400418
8.195486
9.185339
8.103153
9.803888
9.703665
11.583361
8.288827
10.609699
8.870998
10.056093
10.008606
8.951689
8.674459
9.427290
10.420972
10.476272
9.494797
9.728935
10.794031
8.138920
9.991150
11.315043
9.262490
11.002899
11.369366
8.438368
11.827143
9.435347
9.081088
8.661519
11.471664
# Label of molecule (33)
0.391693
# Number of Instances of molecule (34)
3
10.259943
8.692175
9.596311
10.627032
12.481417
8.437586
8.636857
8.245954
9.391713
6.715803
8.094353
7.780473
8.679388
8.052196
10.244751
6.652495
8.001544
9.998622
8.908638
8.631641
9.815335
7.050613
9.204136
7.907760
5.913698
11.231014
8.315490
6.664747
9.946594
11.057208
5.733848
8.832575
7.452528
7.940214
5.940886
9.272774
7.740867
7.373058
6.224708
8.918516
6.819941
8.713309
8.497482
7.788720
6.929685
8.861385
5.959929
7.797266
6.455061
8.563768
8.734916
8.926939
8.070345
8.363445
5.740318
7.800195
8.312662
8.387005
8.682669
7.025269
7.019211
6.669958
9.573733
7.080004
9.889294
8.356655
9.680670
8.221519
9.588870
9.061144
7.707465
8.916486
8.859722
9.379025
8.401700
6.515168
6.572787
9.344356
6.839274
10.225974
9.797617
6.289941
8.507050
10.252586
9.114368
10.106830
9.812754
9.769051
7.043016
8.276940
# Label of molecule (34)
0.400487
# Number of Instances of molecule (35)
4
10.193954
9.017659
7.474428
9.601196
10.190684
8.231555
8.626587
9.284124
10.599933
6.750820
7.720723
6.199397
7.831151
8.609409
11.467616
7.346689
9.423141
9.496505
10.496456
11.019742
8.897483
5.963452
8.486056
8.631856
6.772104
10.374697
8.854835
7.043508
9.387202
9.696318
6.245613
8.427320
7.498215
8.890469
7.143223
5.359478
5.748405
8.235298
6.387951
5.323466
8.877529
6.936064
8.510697
5.237892
7.166784
6.609027
5.066256
7.217689
7.278970
6.123905
7.869564
6.529801
7.771172
7.791070
5.629383
5.980590
7.443892
6.665059
8.356761
5.605701
7.023804
7.645161
6.800775
7.725486
6.229591
7.052736
8.545091
9.518876
8.799738
6.974853
8.347209
8.369915
6.623157
9.993988
8.970153
6.970824
8.656178
8.572069
6.069308
7.044679
7.844996
8.945128
8.893979
8.969787
6.447981
8.446211
8.823542
9.521439
8.131016
7.134281
6.246361
7.637761
6.272851
8.895611
6.457793
5.875256
6.199728
9.033921
7.619327
9.061144
8.041704
8.804666
8.571749
5.160146
8.386319
6.444609
8.766091
8.200888
6.725623
8.499237
8.873882
6.106342
7.345149
6.883343
8.796976
8.955550
8.046587
9.061754
7.449889
6.549226
# Label of molecule (35)
0.293551
# Number of Instances of molecule (36)
4
9.954406
8.852452
8.973810
8.752507
10.773594
8.945303
8.562829
8.322609
7.989497
8.003694
6.770001
6.161018
7.396480
6.362773
8.506797
9.768602
10.795665
9.918608
8.888059
9.154370
8.509085
7.955683
10.039278
6.879074
6.844217
10.332377
9.061077
7.776844
9.047406
9.587955
8.371136
6.726188
8.258339
7.060305
6.268899
9.272774
7.213019
8.890072
5.836024
8.481368
8.568773
7.072024
8.959288
8.620899
9.058412
9.328440
6.455061
9.388256
6.776971
7.562395
5.777429
6.171484
9.120060
9.243965
9.153508
7.149174
7.836329
8.566454
7.024049
6.600085
6.360958
8.495911
8.997147
9.582369
6.557985
7.572909
6.641850
7.332545
8.211722
7.702307
6.381832
6.958998
9.747536
7.008927
7.900433
9.959822
9.204672
9.557711
8.021409
7.744789
7.880413
6.803842
10.082873
9.708472
7.403836
6.879650
7.429350
10.074206
9.114338
7.092181
6.401593
6.788812
7.940458
8.318766
8.189611
9.272774
8.609424
8.943175
9.173040
6.876827
6.940428
8.129673
8.034333
8.926206
8.036775
6.246193
9.254463
6.697134
9.419141
8.803400
6.692495
8.055940
7.837550
7.213630
7.598773
6.932371
7.200812
9.324168
9.929289
7.005371
# Label of molecule (36)
0.220322
# Number of Instances of molecule (37)
4
8.534198
7.508726
9.348315
10.782002
10.370024
7.395757
9.077675
8.651031
9.055173
7.923190
7.049780
6.414566
6.437625
8.934733
8.284934
8.877392
8.395730
7.477128
10.650742
7.623217
9.394619
6.948457
8.300948
7.718896
7.454416
8.257038
9.471736
6.379924
9.702342
7.488856
5.406110
5.918577
6.615986
6.301645
5.520249
8.074770
7.536546
5.610706
8.923795
5.646107
8.877529
6.799829
7.372600
5.981567
8.027650
8.888028
7.097934
5.901975
6.479629
7.015656
5.818720
5.387677
7.963805
6.330454
6.591571
8.381909
8.356029
7.178991
7.870174
6.587909
7.606372
8.587115
9.412091
6.587542
6.037721
7.425092
5.598376
5.861568
7.359539
7.364544
8.877529
8.521561
6.558977
8.580157
6.789087
5.683706
5.609973
6.496109
6.707663
9.207251
7.674123
6.910672
6.662740
8.516800
7.136387
7.237709
8.935759
5.731925
6.853786
7.740654
7.952696
6.598529
8.764122
5.698233
7.765069
6.889798
6.857326
8.117740
6.746605
8.841762
8.877529
8.098941
8.459792
7.923643
5.609607
8.074404
9.465072
8.131901
8.903287
7.340129
6.709494
6.551286
7.181433
5.817011
7.751274
7.035310
6.724021
9.116794
7.193884
6.876247
# Label of molecule (37)
0.179395
# Number of Instances of molecule (38)
5
10.123016
6.688448
9.785888
10.476777
9.657868
7.699272
11.353247
8.996999
9.967266
7.344815
8.353294
6.647010
6.872296
6.388367
9.671309
8.133781
8.494449
10.293527
8.790796
10.641337
8.116837
5.559830
8.905286
8.459683
6.212057
10.206494
7.324131
8.809847
8.138311
8.441480
7.755318
6.944258
8.841899
7.125538
7.704779
6.461577
7.031541
5.839122
6.052263
9.061144
8.144124
6.056169
8.263024
7.298517
6.900800
6.042131
9.383419
5.755501
9.628544
7.346980
9.478515
5.922987
7.895947
9.405393
8.185995
6.859661
7.454772
8.345424
6.262963
7.997635
10.302683
8.776025
8.448866
10.496902
10.675741
9.654347
8.231819
8.876247
9.125156
9.435591
9.623341
8.177374
9.817072
11.201758
8.316904
9.783624
10.276193
11.790765
10.232978
10.062197
10.260567
11.368267
8.092166
11.151219
10.753746
9.773003
8.294565
10.957366
10.947600
8.010010
6.530869
8.704886
5.562090
6.087741
8.536424
9.272774
8.056551
7.062014
6.169652
5.726157
6.514878
9.397900
8.766533
8.767510
8.821955
8.440107
6.298563
6.084567
7.210211
7.716941
7.685934
8.611621
5.771569
5.914274
8.226112
6.560900
9.272774
6.060396
6.015229
5.604450
8.923566
7.264946
8.251061
5.299554
5.879650
5.772591
6.059221
7.594790
7.638127
9.061144
5.606815
5.462645
7.172903
8.545747
6.188375
7.053636
8.871563
5.358760
9.067492
7.400571
8.284753
5.296625
7.925489
7.580508
7.992996
6.538972
7.614933
7.087573
5.465087
6.518342
# Label of molecule (38)
0.358156
# Number of Instances of molecule (39)
3
8.291079
6.944545
9.343680
10.112623
9.381159
7.494112
10.934394
6.846573
10.123729
8.789937
7.964756
9.646031
6.236993
6.883085
10.072609
9.040313
10.501692
7.753560
9.691683
10.795814
10.038060
6.627753
9.289775
8.140628
8.202508
8.470071
9.369581
8.609101
9.708946
10.416850
6.573153
9.290765
7.349055
7.042528
9.399411
7.471252
9.651372
9.312616
9.532350
8.201743
8.263268
8.260094
7.096240
7.252739
9.477294
7.010300
9.892834
8.106281
8.366665
6.781411
9.723640
6.278954
8.322596
7.626164
9.484741
7.951003
7.801584
7.165212
7.410947
9.773812
7.174444
9.064760
6.774285
8.332438
10.222877
9.272774
9.356517
8.707694
7.709372
6.565661
8.274087
7.348521
7.752831
9.780480
7.156011
7.702536
7.380627
7.586200
9.611774
10.024628
9.537309
7.745750
6.954711
8.556444
9.868007
9.680868
8.138462
9.698202
7.649068
9.218574
# Label of molecule (39)
0.227630
# Number of Instances of molecule (40)
5
9.181906
6.578106
9.258801
10.807923
10.243922
8.864632
8.573099
6.751042
9.426845
7.317437
6.441518
7.819094
7.070863
9.148075
9.938397
7.280118
9.738949
9.028552
7.306334
9.423983
10.270585
8.077847
7.951645
8.197782
8.347959
11.158210
8.216773
9.007479
8.849164
9.083686
8.629322
6.593249
8.453902
7.331431
9.996063
9.272774
6.035371
6.746818
8.527879
7.403211
6.084323
9.739097
8.850032
7.818628
6.598498
7.567278
6.162694
8.231117
6.312967
9.744224
7.376354
9.330882
6.754021
6.193335
7.552995
7.096072
9.286081
7.556413
8.527268
6.688833
8.107624
8.839091
9.020371
8.577975
5.574465
8.929426
7.421445
7.912427
9.251457
9.061144
6.403836
8.217368
6.486114
5.935560
6.193258
5.758675
5.821909
6.832438
8.968001
9.473632
9.071886
5.895520
9.349849
6.815714
5.695807
7.631291
6.888226
6.749428
8.360195
6.991501
5.913572
8.782067
5.485214
8.165105
8.473830
7.587451
6.663106
8.284249
7.958678
6.045656
8.877529
7.023469
5.657338
5.570177
8.551469
8.248970
6.175665
7.351115
8.774987
8.416211
8.446852
8.830164
6.234016
6.102786
6.048219
6.385388
7.132481
7.689627
7.696707
5.602161
7.427046
7.134068
7.752251
7.859432
7.557787
5.755364
7.522874
8.300729
8.748253
7.412885
8.877529
8.017518
9.447127
9.074923
6.404431
9.070162
9.040986
6.186529
5.574694
7.526048
5.803095
9.330912
6.107181
6.680441
7.146641
6.101444
9.328349
9.424909
7.057161
5.561144
# Label of molecule (40)
0.201683
# Number of Instances of molecule (41)
4
8.351883
8.769586
7.705529
9.556441
12.367055
7.296879
8.406738
6.815645
10.157901
8.512207
7.097638
6.912040
6.218490
8.060419
10.177280
9.812947
8.892197
8.479806
9.821366
7.807689
8.285543
6.288292
7.979195
6.160542
9.200951
7.936173
9.512017
8.632455
8.152731
7.927160
7.779107
5.671133
7.502609
9.103977
6.522843
7.514084
7.887997
6.334605
5.383160
7.310587
8.877529
6.579119
8.971038
5.887326
8.700644
6.942412
6.271615
5.882321
6.930448
7.032991
7.682302
7.986755
9.078341
7.091342
9.258766
9.179174
8.337840
7.298502
5.549669
8.825892
7.400372
7.534410
9.888852
6.698813
8.044191
6.575274
9.240150
6.733238
8.002197
6.892422
7.368389
7.492172
7.971801
9.384442
8.478774
9.017731
8.224494
7.476058
8.037477
8.914335
9.829890
7.798090
9.054598
6.414502
10.090640
7.857662
6.515580
6.624714
9.563890
8.577776
9.756478
9.290765
6.926679
8.413785
8.588717
8.783425
7.468810
6.086566
8.704321
7.966750
6.966720
9.833506
9.730964
9.780160
6.194723
9.352168
7.569765
7.904004
8.606174
6.461943
7.806589
7.876904
8.303552
9.106067
8.335047
8.204062
9.157949
8.535005
8.564302
7.333308
# Label of molecule (41)
0.203403
# Number of Instances of molecule (42)
4
8.955676
7.584526
7.195618
9.577314
11.515460
7.119335
9.162381
6.941750
8.044595
6.573763
8.051239
9.028673
7.306161
6.042177
11.662735
6.744745
10.522378
7.219726
10.555894
9.351648
10.838190
7.248480
10.220845
7.645252
6.686815
10.358200
8.150926
7.247576
10.088589
10.690299
7.729926
8.157674
6.293970
7.916089
7.325007
6.443632
6.685949
5.714118
7.715033
9.061144
5.766488
6.067888
5.827036
5.703131
8.702002
9.168935
8.259117
8.078692
8.397061
7.167165
9.271844
9.256829
7.372250
9.168569
6.772256
8.160604
8.823466
6.817911
6.164815
7.584414
8.105014
8.269448
7.073489
7.102054
9.069521
6.452376
9.014832
9.518876
9.018738
7.663106
8.409955
8.736381
8.826838
5.945524
8.237709
9.607257
7.753563
9.276437
8.273476
6.328959
5.873867
6.598621
8.904965
6.629261
7.498795
7.002319
7.128056
7.536760
7.464370
7.428968
8.445326
7.557848
9.888852
6.805139
9.470626
6.550249
9.151646
7.087863
9.762017
8.272958
7.272439
7.031953
8.109622
9.713431
7.760857
8.494400
9.904111
7.210913
7.481918
9.564135
6.002991
7.175878
6.409009
7.934202
7.590320
7.958617
8.557634
6.860805
6.902066
9.241859
# Label of molecule (42)
0.075046
# Number of Instances of molecule (43)
3
9.741206
8.098203
9.815059
9.827105
10.329581
6.946147
9.958800
9.241587
8.905526
6.598910
6.190539
9.130433
6.794583
8.342469
11.138163
8.596434
10.626154
10.142514
10.413564
7.829493
10.120429
6.436524
8.240758
7.909580
6.176511
8.027029
9.611164
8.424339
7.796864
10.920079
7.306207
8.157796
5.372066
7.367244
7.342463
8.318445
9.316889
7.130055
7.531068
9.061144
7.489441
8.525483
6.529206
7.113819
8.787332
5.611332
5.681402
8.176840
8.613498
5.717780
7.114429
8.551485
6.623447
7.180593
8.980819
5.947645
9.059313
8.942366
6.226218
8.347377
6.820460
7.361370
7.774834
5.409528
6.434828
7.566942
8.609210
5.520127
5.421369
8.174505
8.877529
8.142277
5.162816
6.599384
7.513108
5.870846
7.646901
8.287912
5.341411
7.725150
5.248878
6.282968
6.015259
8.319895
6.663472
4.970305
8.534745
7.903989
7.358440
8.878506
# Label of molecule (43)
0.213762
# Number of Instances of molecule (44)
4
8.819494
9.153122
8.681186
10.242712
9.672506
8.308218
10.576249
7.904505
8.916276
7.116606
6.496661
9.556374
6.941692
7.842097
11.319423
6.818329
7.802268
8.317775
10.517495
8.622412
10.680101
5.490476
8.119492
8.991982
6.159351
9.455738
9.833626
8.773933
8.162417
10.209598
9.254128
6.388562
5.521836
9.230567
8.913297
5.853877
5.598987
8.052553
9.280618
6.761010
8.877529
6.068606
9.302225
9.146580
9.432234
6.834498
8.572222
6.212165
6.566668
8.004456
6.773827
7.635426
8.860317
8.637654
9.300027
8.465041
7.081088
7.027619
7.928526
6.978179
7.270928
8.716773
5.716559
7.910230
6.807657
9.017197
6.631382
8.613376
7.038743
9.061144
6.058123
6.504669
7.753487
7.952345
9.014878
6.064348
6.948286
5.846568
7.400571
7.976882
6.204611
6.449370
7.480041
7.124073
9.247185
8.099200
9.233879
8.103351
6.556673
6.812174
8.978500
8.728492
6.511505
7.353450
6.805582
6.939497
6.312647
5.809091
6.201804
9.061144
8.247032
6.296777
6.518830
5.607913
5.744270
6.314722
6.373806
5.533326
8.268029
7.171194
6.965011
5.914563
8.236656
6.665075
7.567690
9.223746
6.812296
8.290613
6.084368
7.559755
# Label of molecule (44)
0.209850
# Number of Instances of molecule (45)
3
8.317122
6.450305
6.657287
6.563383
8.239657
6.161859
10.356428
8.098340
9.833878
5.871051
6.267531
7.436617
7.764240
7.319009
8.495978
8.205963
7.825253
9.789184
8.070294
8.704207
7.728322
7.333706
9.305818
6.029338
7.729179
9.303913
9.328011
6.330412
10.133939
7.807360
7.499527
9.115299
8.946471
8.668386
8.946104
9.272774
6.209326
6.237403
7.232917
6.737419
6.740226
7.423597
8.727836
8.169103
6.355449
6.741813
9.510453
9.065859
8.392132
9.780847
7.433119
7.560564
9.763756
6.572863
7.766381
7.084475
9.540361
8.020051
9.805750
7.772851
7.698050
8.371044
9.394879
9.651967
9.563219
7.217078
8.555986
6.197394
6.531266
6.423353
8.877529
8.119327
9.412458
9.467513
7.475631
9.209571
8.615070
8.318186
9.092135
7.830012
9.394513
8.668661
6.838649
9.220069
7.685965
7.037507
8.463820
9.859371
9.899411
7.612720
# Label of molecule (45)
0.153287
# Number of Instances of molecule (46)
3
7.601200
6.322760
6.984545
8.661213
11.109752
7.404144
9.556935
7.649534
8.611184
7.594513
6.737075
6.929729
6.753976
6.105803
8.632014
9.199349
9.326031
8.769258
8.438306
7.893176
10.741586
5.608407
8.867336
7.733463
8.831297
9.929145
7.323164
6.366741
9.145261
10.102736
9.606693
9.290765
9.219962
9.806772
6.898236
6.346950
8.420011
5.819224
6.337184
8.647679
8.087237
9.531495
9.443968
8.189047
7.224052
9.540895
8.034135
9.304315
6.895062
7.940138
8.327845
6.782388
6.409207
8.525361
8.925520
7.509949
7.558412
6.965621
8.526093
6.011856
11.454451
8.457411
11.343974
9.386761
9.721366
10.354442
10.190985
10.356151
8.370251
9.187292
10.336619
11.606922
10.145817
10.532792
8.716697
9.596850
10.240303
8.910672
8.325327
11.853145
11.840571
8.589007
11.334574
11.367534
10.540605
10.914396
11.270241
9.954527
11.498398
10.539140
# Label of molecule (46)
0.177066
# Number of Instances of molecule (47)
5
9.122587
8.315596
6.098695
8.462519
8.337001
7.754644
7.469847
7.503707
9.175603
7.039225
5.181057
7.840989
8.893522
6.503798
9.394496
7.950252
7.626666
9.763922
10.929539
7.641560
11.007013
8.203954
7.284128
7.238896
7.187007
8.090867
7.379021
8.388321
7.613923
9.462148
6.568194
6.912198
9.888852
6.340281
9.042390
8.614277
6.125309
8.393200
8.883816
6.600177
6.934050
8.328135
7.112278
8.328990
10.024110
6.997284
7.401227
9.809626
7.822138
6.926847
6.258614
6.596515
6.243843
9.605029
7.731559
9.840266
6.425367
7.513047
9.009186
6.267037
9.282083
6.946562
8.814905
6.273080
8.336253
7.825373
7.955748
9.238624
6.997833
6.641987
8.877529
8.883023
8.148869
7.444868
6.680563
8.341380
6.430067
9.328593
9.257546
8.512528
9.110080
6.366832
6.251106
7.784967
8.476638
7.600879
7.974059
7.504929
8.128117
7.955626
9.502976
8.929472
8.415662
8.434462
9.227454
8.130497
8.370251
10.265694
9.149205
8.030519
9.023469
10.851894
10.105899
11.486557
8.710959
8.579608
11.299783
10.397168
10.134587
11.189673
9.853328
10.574664
11.508164
9.938902
10.889370
11.668813
10.664266
10.507889
10.508744
9.022736
5.982513
8.272744
6.059664
9.509598
7.889554
7.925810
6.034394
9.518876
7.683004
7.896390
8.084628
7.388318
8.250526
8.068636
7.624653
9.725425
6.948973
6.864620
9.509476
7.580584
9.849208
7.052980
9.367748
9.049013
7.502335
7.611835
6.895993
7.613056
6.605701
8.520432
# Label of molecule (47)
0.120546
# Number of Instances of molecule (48)
4
6.932356
7.985201
8.886199
9.116526
9.175995
5.987819
9.743024
7.523794
7.756984
8.044046
6.815003
7.390376
7.424785
7.243049
10.116617
9.277897
7.606554
6.880864
10.693050
8.242623
10.612315
6.258761
8.481519
7.946099
9.201972
9.103671
6.491105
6.561883
8.047501
10.741593
9.426466
6.192114
6.880856
7.459120
6.310160
7.014039
8.620899
9.518876
8.321207
7.041749
8.519700
6.410382
8.053621
9.378857
8.531907
8.582324
6.132420
9.217475
7.734764
9.282418
6.896237
7.547136
7.804834
7.700095
6.134861
6.823969
8.236122
10.006928
9.757042
9.976165
8.401868
6.259468
9.888852
6.555010
10.033143
8.502091
7.900266
9.352947
9.482467
7.204199
8.763939
6.801599
7.027558
8.079470
9.560717
8.285897
6.972747
6.504349
10.084658
9.282998
6.269601
7.414655
8.756127
8.191900
10.192328
10.161565
7.277932
8.061892
9.941954
7.705069
7.130268
7.591098
9.297205
7.861492
7.576327
7.648350
8.330012
6.696661
6.388791
6.877697
6.937391
8.194998
9.747536
7.446928
6.295892
10.271477
7.354884
8.260308
7.385037
9.726051
9.994369
7.043474
9.337733
8.761422
9.142659
6.386593
7.533967
9.398038
9.512909
9.125690
# Label of molecule (48)
0.164019
# Number of Instances of molecule (49)
5
9.803871
7.795726
6.460891
6.992269
10.089081
7.650007
7.506342
8.500177
6.910783
5.712656
6.988459
7.778611
7.631518
7.762025
10.863903
8.947092
8.995513
7.442630
7.653077
7.289575
10.885559
5.540303
7.205682
8.551839
8.813014
8.526378
9.904415
8.082116
7.599173
7.842711
6.257714
9.290765
7.535096
9.943983
6.313379
8.053301
7.029954
6.194113
6.343654
6.923505
8.792947
9.119984
6.954878
6.174825
8.580050
8.376431
8.139241
6.563753
7.118580
6.066668
7.732734
8.554659
7.999588
8.229820
9.835093
9.289056
9.467650
7.257866
8.564913
7.170217
5.675893
9.092013
8.594928
8.406201
8.509232
7.281899
7.055940
6.199713
6.906644
8.889737
8.877529
5.847774
7.460005
9.190893
7.126865
7.559984
7.720389
7.533128
9.135838
6.927519
8.845180
8.999969
8.079775
6.348277
9.204077
6.816553
7.456099
8.382397
8.322825
7.372600
11.330180
8.531022
10.055727
8.769921
10.522538
8.335459
11.469588
8.969024
9.327677
9.897519
8.529679
11.277932
10.166082
8.463149
9.208655
8.178961
11.492294
10.440382
10.535966
9.970641
10.628010
9.500412
11.865596
8.128422
10.557451
10.420728
8.041261
11.599109
8.056642
10.545732
7.449629
7.653371
5.951415
7.791803
7.879330
6.619160
8.476760
7.993103
5.179418
6.461562
8.877529
7.385296
7.443037
7.365764
7.624928
8.443190
5.371319
7.268838
6.540422
5.390118
5.294900
8.398389
7.750298
7.498825
5.155492
6.552995
7.538255
6.320688
6.823878
5.000946
# Label of molecule (49)
0.151771
# Number of Instances of molecule (50)
3
6.458900
6.696768
6.845301
7.320513
10.801334
8.294090
7.759771
6.303512
9.374621
5.936850
7.646611
7.192586
8.335432
8.365802
10.920798
9.825894
7.753656
10.204054
7.402103
11.055852
7.914412
6.758093
9.648041
8.084484
6.616541
9.480723
7.837051
7.216228
8.073918
7.601147
6.808466
7.361461
5.514237
7.906156
8.174841
9.272774
7.447035
6.645497
5.993622
6.348003
8.211707
8.366985
9.234809
8.837214
7.423231
6.296731
8.299722
5.426222
6.812494
7.313730
6.434919
5.567339
5.401563
6.306253
7.888089
6.706046
8.608692
6.865474
8.680715
6.782952
5.767586
8.278649
7.562929
7.963454
7.091845
6.808267
6.693762
7.740791
8.825419
9.061144
6.716346
7.088794
7.783639
6.567171
6.393704
5.511475
7.303278
6.085467
7.038621
5.427610
7.093677
5.621464
7.626041
7.714911
8.829691
6.342189
8.835429
8.589694
7.362728
8.765358
# Label of molecule (50)
0.056061
# Number of Instances of molecule (51)
4
7.832191
6.176704
7.328970
7.825770
11.396002
5.478380
9.637721
6.375490
6.701739
5.603754
6.189132
8.487426
6.916003
8.072856
8.815948
8.446136
10.193699
10.457784
9.215027
9.982937
9.361134
6.204701
10.375415
7.651119
8.574204
9.841517
8.020735
9.286593
6.759094
9.484444
9.033143
8.144688
6.122410
8.555712
9.509598
6.008148
8.847224
9.518876
8.407880
8.111484
7.227424
7.305429
8.599170
8.670461
7.354991
8.529221
6.269875
7.817530
9.259346
5.730796
6.313700
6.589465
8.827204
5.846644
7.621601
8.845393
7.057863
6.293924
6.646352
6.988281
5.546632
6.299219
8.884869
9.021104
5.695318
9.166128
7.612613
9.517823
7.905225
9.061144
6.992477
6.134297
9.108753
8.504608
9.425779
7.826121
8.846538
6.866741
9.012680
7.502869
6.346706
7.293878
6.660192
7.934400
6.503449
5.562624
7.525208
6.274071
7.127491
5.739753
5.615238
9.290765
6.556307
7.434263
6.797891
7.898022
7.702460
5.556032
6.874310
7.398129
6.800089
9.092517
6.432035
8.334193
5.903455
5.808847
7.459899
6.533601
6.027848
8.952620
8.114460
7.970290
7.444273
8.596286
5.385861
8.557344
7.309748
8.597873
6.037248
7.744331
# Label of molecule (51)
0.123094
# Number of Instances of molecule (52)
3
8.617495
6.681940
6.726353
9.450811
8.502776
8.231947
9.094933
7.045843
9.223064
6.215114
5.657378
8.565217
7.295964
7.353751
9.854757
9.181439
10.406191
10.368311
10.967248
7.632446
9.173527
6.770310
8.679572
8.915607
6.826750
10.578406
8.903495
7.766257
9.181915
8.453263
6.870403
9.290765
8.784402
8.136677
6.107929
8.707495
6.869060
9.298944
6.195578
8.582614
5.951674
6.279199
8.879498
8.307825
8.824320
7.243706
6.556551
9.259148
9.315912
5.986953
9.012925
5.466796
6.510163
5.973647
9.090808
5.620975
6.581210
6.651402
8.161092
5.787118
8.249214
6.183233
8.808557
6.561663
7.845027
7.545824
5.449690
6.786889
7.883969
8.074404
8.877529
8.179388
9.291726
8.844935
6.100467
6.634053
8.578082
8.679525
7.191687
8.655843
8.513260
8.003845
8.943449
8.086489
6.732322
7.039583
9.140843
8.107120
7.144932
5.708731
# Label of molecule (52)
0.185860
# Number of Instances of molecule (53)
4
8.866181
8.078437
7.529000
8.920529
8.691562
6.692594
7.602607
7.915785
7.917927
7.066022
7.167655
8.842764
8.451051
7.527977
9.864847
8.151908
7.857201
8.453987
9.354138
9.340688
7.749673
5.334645
8.063616
7.074513
8.277787
8.303422
7.261076
7.671904
9.536131
7.495326
8.596637
8.027772
8.899380
8.485672
9.706656
6.478896
6.900052
8.164251
6.055788
8.038026
8.877529
5.891110
8.120304
9.553209
7.466353
6.058718
8.145329
9.491562
8.372021
7.561693
6.378430
6.468886
8.473098
6.276742
9.636708
6.399060
9.198218
6.347423
9.585559
6.133061
5.772698
7.135655
8.826502
6.474013
6.777856
9.059053
9.383526
8.809656
5.888058
8.122990
8.877529
6.600726
9.294900
6.798730
8.953948
8.009095
9.221046
7.703421
5.808954
7.069735
7.340251
5.567858
8.980193
9.108249
9.532945
6.823389
6.410657
7.963317
7.352092
8.677816
7.889676
7.875759
7.460097
9.322214
9.533525
9.128361
9.581622
9.518876
9.701132
7.802759
7.637471
9.623127
9.642903
8.461226
7.377575
6.784661
6.402936
9.839930
8.082797
6.897824
9.425367
6.253517
6.043184
8.956114
7.497208
7.619160
7.310190
8.211585
9.402905
5.970916
# Label of molecule (53)
0.180369
# Number of Instances of molecule (54)
4
9.504355
7.431313
7.111874
7.474334
11.740201
6.134175
8.787836
7.743766
8.728185
6.488515
7.332546
9.052347
6.175383
9.065890
9.523846
7.160679
9.987757
6.921260
10.246516
9.903218
7.602550
6.572539
9.439034
7.493716
5.932492
8.494459
6.812392
8.878146
7.831647
10.993785
10.305063
8.602741
8.994598
8.323069
8.225898
8.565264
6.462661
6.681295
9.874386
7.568407
8.877529
9.459212
9.402326
8.851772
7.020905
9.873531
9.689566
7.646901
8.661824
7.940489
6.624775
8.030824
8.785241
9.792474
10.003662
7.052034
8.627522
6.707175
8.917936
8.506180
7.026902
6.245994
8.023392
9.225578
6.505402
6.328761
7.870800
8.311121
7.236503
9.061144
8.751686
6.483428
6.869793
7.067797
6.092303
8.311975
8.310389
8.446623
9.677129
8.614231
9.437132
6.308252
8.814920
7.960768
8.437346
6.590976
9.312250
6.891888
8.635838
8.522675
8.956114
6.374004
9.831019
7.059328
6.286843
9.272774
9.199042
8.356120
7.643452
7.466811
7.732322
7.303232
6.641713
10.060640
6.720450
8.666433
6.180883
6.611316
6.681509
8.408368
9.598468
9.357494
7.467421
9.381664
6.442732
8.720511
7.173223
6.732780
8.739677
8.454024
# Label of molecule (54)
0.232017
# Number of Instances of molecule (55)
3
7.599055
6.215471
5.866454
9.977534
9.813553
7.379364
7.354940
8.362030
8.934882
5.940665
7.875030
8.841006
8.504760
9.259954
8.329063
6.835592
7.238686
9.979036
10.022904
9.623799
10.331254
5.936518
8.978312
7.184372
7.640826
9.862676
9.695487
8.506548
10.171364
7.496481
7.140767
6.479247
7.046648
10.147084
9.445891
8.250542
6.404294
6.820322
6.449583
6.585574
7.229392
6.765145
9.495819
10.156240
9.210776
8.774606
8.842601
7.104877
9.633030
9.509613
9.265099
7.025407
7.443999
10.147328
8.932081
7.746742
7.033830
7.521393
7.930952
9.797952
5.874523
6.485382
9.029649
8.437712
8.613865
6.108051
7.830760
7.521302
6.308985
9.061144
6.852702
8.266442
8.064409
5.535401
8.511444
5.366085
7.379086
8.564302
6.267968
7.346614
6.437162
6.940107
8.883648
7.652287
6.671789
5.936903
7.385800
7.224052
7.977859
6.712683
# Label of molecule (55)
0.099784
# Number of Instances of molecule (56)
3
6.436702
5.334774
8.205732
8.943936
11.250467
6.181218
7.486569
7.077548
9.652884
5.401112
5.985183
9.369927
5.655399
9.036904
10.610918
9.494334
8.675452
9.757023
8.102830
9.753702
7.543281
5.596576
9.754812
6.852368
8.689421
8.163791
8.426023
8.330713
8.733257
9.509051
10.130741
6.652852
7.126743
8.565142
9.177343
9.151952
6.831202
8.576006
7.972350
6.817652
8.877529
8.825159
7.401410
10.052004
7.665456
7.074862
8.434767
7.700003
9.857295
6.608173
6.918973
7.680837
10.338511
10.168706
10.174932
10.328257
9.670278
8.546953
10.273446
7.817682
6.222770
8.410459
7.025040
7.575106
5.810892
6.757576
8.659001
6.553835
6.298700
5.963973
6.425047
9.431364
9.747536
9.690161
6.529542
6.991836
8.174001
5.989120
5.905866
6.208731
9.280236
8.124439
8.613346
7.871136
6.987930
7.098163
6.726325
5.858135
7.653478
9.266930
# Label of molecule (56)
0.182774
# Number of Instances of molecule (57)
4
9.351433
7.243388
7.232236
6.712781
9.882465
6.338513
9.258764
6.492270
7.340389
5.380418
5.086659
8.930176
7.869457
7.130393
10.356595
9.181978
8.391823
8.656303
7.864847
7.562880
9.551425
6.668827
7.121703
8.208404
8.130906
10.506558
9.519322
8.710097
9.651047
10.568073
9.269570
6.588214
9.888852
6.239814
9.295328
7.615711
6.783044
8.828639
9.755181
8.006592
7.789300
7.323222
7.357768
9.486007
7.517441
9.989929
7.603259
7.936277
6.602496
8.897244
9.975158
6.669881
8.706198
6.325877
6.844203
8.194708
9.166295
6.858364
9.459151
6.345897
8.084262
6.349223
7.015137
8.053011
9.534379
8.559618
8.200842
9.518876
6.800531
7.074099
7.551164
9.008362
8.381634
7.330699
6.479843
7.990631
6.016327
5.889004
7.593402
7.045778
8.064119
8.141514
7.380139
6.212256
9.595904
7.515519
7.547868
6.013520
8.571703
8.043367
6.843669
5.539552
8.882183
7.323176
9.170644
9.069445
8.810648
7.195975
6.092303
9.061144
8.587741
7.974197
6.740883
6.633702
9.024033
9.048570
7.438292
6.493316
8.791360
7.729072
5.262810
7.080981
8.798685
5.530641
7.329646
7.212210
6.217307
6.136616
9.154042
7.085498
# Label of molecule (57)
0.148032
# Number of Instances of molecule (58)
3
7.890421
6.297658
6.846513
8.496174
11.608160
7.239203
8.214542
8.148065
6.704725
8.067123
5.741423
6.184087
7.789344
6.202629
10.192476
8.008623
9.259031
9.892568
10.057165
9.382681
7.948364
8.316210
7.162862
6.765169
8.506382
7.989611
6.868786
8.383858
9.963986
7.455585
8.770775
8.353404
9.640309
8.119266
8.787011
9.809748
11.855464
9.086337
10.230659
8.374645
10.030091
8.325449
9.489792
9.434736
9.554369
10.354930
9.969176
10.073183
9.855403
9.223792
9.113315
10.821619
10.556719
8.165288
11.921018
11.059786
11.317850
10.337352
8.828150
8.439222
7.860271
6.732795
9.657811
9.691259
6.762093
8.317804
6.276605
8.141896
7.399197
8.087817
6.527711
9.497528
9.747536
8.607730
7.878948
9.890484
7.764199
9.307337
7.143818
7.620273
8.848460
9.919904
8.578555
9.995590
6.793832
8.570376
8.658635
6.260125
6.108509
6.885510
# Label of molecule (58)
0.164493
# Number of Instances of molecule (59)
3
7.759269
8.381404
7.199116
9.217491
10.466531
5.596762
7.751749
6.670098
8.041326
6.565471
5.815586
6.062331
8.069989
7.557272
8.355930
9.026394
9.007350
8.920271
7.744246
8.789810
7.593917
7.030028
7.384040
8.393424
9.126898
9.096259
8.754077
8.633908
7.445400
8.219902
10.691733
9.561327
11.153539
8.087649
9.623096
10.625324
11.228004
11.093966
11.534898
9.707572
9.943663
11.909299
11.129856
10.588214
9.692434
8.001953
10.812098
9.509812
8.806665
11.587390
11.500107
11.150243
10.775719
9.454634
8.089358
11.273293
9.548387
8.161870
9.939024
10.936491
7.008438
7.380032
9.265587
9.167928
8.501404
8.953932
6.573855
6.568361
10.193594
6.759651
7.126972
9.480316
9.747536
6.811533
7.961959
8.330622
10.195059
7.395047
7.193136
10.195791
6.437742
8.976394
8.416196
10.065661
7.397610
9.792215
8.197928
6.476806
10.189932
7.993210
# Label of molecule (59)
0.171637