# Number of Dimensions
30
# Number of Examples
60
# 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
7.371258
6.600604
6.466201
5.844600
8.351390
6.707297
6.897732
8.960417
5.549425
5.894162
8.877529
7.993591
6.679830
8.164129
8.075259
8.871059
5.155980
6.318613
8.071474
6.015625
7.401898
5.217261
8.867885
6.320200
5.281106
6.811182
8.703818
7.332682
5.519028
7.322794
7.038118
7.999084
7.715506
9.583239
7.799005
7.524094
7.619068
6.263802
6.733543
8.180609
8.877529
6.479507
7.694510
9.184912
7.070467
7.462447
7.011139
7.282632
7.309366
9.640004
6.237800
8.695761
7.685598
8.796350
9.021577
9.842402
7.024323
9.445173
9.960082
9.205786
9.087390
6.484893
6.969405
6.391140
9.306635
8.850688
6.681799
6.409696
7.028245
9.061144
6.725623
8.102252
8.712256
6.640049
9.809214
6.850017
7.572329
8.870952
9.293573
9.429075
9.762215
7.431455
7.578677
6.358425
7.680609
6.801187
9.794076
8.461150
8.266808
6.817423
6.399564
7.989944
6.694739
7.067309
9.864391
8.540498
10.037126
7.993484
9.283197
9.061144
7.607242
8.003983
8.191977
6.476714
8.461272
7.473083
6.657750
9.202506
8.928327
7.868969
8.902692
6.465606
9.935682
8.289636
9.045396
8.400479
8.635838
9.211051
6.835978
7.292779
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
3
10.493061
9.044140
9.665211
10.622602
12.405448
9.006623
11.309815
9.269067
10.545640
8.864174
8.744255
9.819665
9.582673
9.906917
12.422020
10.650872
8.921502
9.190582
8.880241
9.268006
10.621882
6.456532
9.784133
7.248709
8.246327
8.231694
7.019708
6.581293
7.098780
8.836577
10.619831
10.762047
9.055330
8.426771
11.259743
8.765404
9.693167
9.407392
11.356914
8.549333
9.050691
8.709006
9.919614
9.520676
10.019349
10.011048
9.407636
10.102359
8.482437
10.078188
10.428541
10.931608
10.227485
9.376507
11.207862
10.363964
9.067660
10.682699
10.208563
11.155736
6.360744
9.290765
9.717902
8.664892
6.748939
7.293756
6.753456
7.229057
9.456297
8.233726
6.233787
6.917158
6.173238
7.520936
8.574313
8.168538
8.272546
6.703040
9.381832
6.221702
6.192160
7.600894
8.553682
6.169942
8.594699
9.749275
7.587588
9.006211
7.671697
10.017472
# Label of molecule (1)
0.946081
# Number of Instances of molecule (2)
4
10.419121
8.914887
9.536675
10.759682
12.343677
9.026486
11.391317
9.330613
10.529053
8.914708
8.722104
10.122351
9.249766
10.098100
12.318822
10.492688
9.488072
9.662319
10.321705
8.743778
9.978791
6.488275
6.912917
7.834217
8.607196
10.472606
9.768316
8.965130
10.291123
7.738507
9.021455
7.723075
5.355449
6.604144
5.784295
5.623035
5.988647
5.534654
5.306253
8.981903
8.877529
8.830897
8.661458
5.794671
5.886105
5.471786
7.803034
8.146428
5.608631
5.838984
5.574816
5.685781
5.297464
8.248238
9.026826
5.310526
7.785333
5.631092
6.910672
6.437880
9.487045
8.493728
7.118686
9.507309
9.979003
8.453810
9.956175
9.394757
7.395672
6.662008
8.877529
9.959471
8.471633
9.169164
10.413221
8.874722
8.440992
8.814539
10.037599
6.634053
9.987060
6.888455
8.536088
8.770959
6.495254
8.003845
8.364086
7.227332
8.487136
9.555651
11.651234
10.683798
10.823084
9.707572
8.083621
8.851833
11.790399
10.011292
8.777001
10.578936
8.511856
9.059725
9.344157
10.814783
8.152470
11.814447
11.019013
11.497421
10.535966
8.974151
10.543168
11.401959
8.949492
10.883877
9.356853
8.200812
9.940001
11.589953
8.969146
10.110050
# Label of molecule (2)
0.879700
# Number of Instances of molecule (3)
4
10.632698
9.102137
9.722118
10.648474
12.533957
9.021424
11.071034
9.190589
10.175978
8.798890
8.363401
9.784410
9.335136
9.770062
12.202232
10.580451
9.041827
9.189358
9.783082
11.032778
7.507930
7.033876
9.771188
8.559122
7.438073
9.383292
8.853224
8.292411
9.759580
9.435461
8.832453
6.831172
6.728996
7.643086
9.047426
9.272774
6.930784
5.972137
8.007355
7.334483
6.280007
8.770318
6.991943
7.356456
8.095004
9.427076
7.167119
6.267556
7.767602
7.457045
7.809351
9.264718
6.046358
9.565752
6.741081
8.483932
6.467635
6.894162
8.351482
8.539720
5.971557
6.198248
7.840144
7.082919
7.619068
5.702872
6.867458
8.240181
7.387127
8.523515
8.877529
5.746696
7.985412
7.540696
8.257271
7.148717
8.709555
8.439161
6.886013
8.675130
7.852596
7.823420
7.104892
6.241951
6.327280
7.327799
7.835383
5.634877
5.875240
5.591540
9.367290
8.109317
9.304544
6.879421
7.782769
8.040345
9.304178
9.183813
7.215613
7.824519
8.877529
7.106845
6.649556
8.852504
8.074648
9.069308
7.853816
7.032868
7.355266
6.233528
5.981201
7.347331
8.246895
9.445173
8.379345
9.396466
8.150334
8.352733
6.985260
5.813471
# Label of molecule (3)
0.865389
# Number of Instances of molecule (4)
3
10.359958
9.066147
9.505322
10.786654
12.454006
8.790507
11.559848
9.047310
10.363273
8.943008
8.373312
9.637607
9.493472
9.810877
12.799032
10.320792
7.834102
8.121357
7.326339
7.409441
9.322749
7.942216
9.330935
7.332671
6.315118
8.771330
7.279337
8.435446
8.208208
10.756726
8.517869
8.200232
7.340587
9.762169
8.828303
9.272774
9.834559
9.282540
7.592425
8.368572
7.651631
9.241646
9.125797
8.644581
7.118412
9.386547
6.192236
8.003449
7.920438
8.121738
7.432875
7.126469
7.917997
7.694601
9.787927
9.654378
8.142369
6.965697
9.784509
6.891842
8.913022
8.755913
8.825007
9.186590
6.895383
9.272774
6.829829
8.223304
8.894467
7.171270
8.093417
6.465560
5.641194
7.052614
7.972930
7.164800
8.530442
5.681722
7.743431
7.117191
5.485916
7.707175
9.351146
9.035218
8.820978
8.530198
9.346507
8.507248
8.962584
8.696585
# Label of molecule (4)
0.802252
# Number of Instances of molecule (5)
5
10.615518
9.084831
9.591273
10.533229
12.456955
8.973138
11.320292
9.083236
10.251215
8.997232
8.742352
9.732609
9.533924
9.625840
12.504954
10.295467
10.525252
10.410599
8.218143
10.795237
8.517252
6.475289
8.780591
8.011346
7.110706
8.131394
6.635797
6.931301
8.618120
10.796005
6.261483
6.467299
7.794000
8.034730
6.841578
8.498978
9.543565
8.040101
9.538316
8.575762
8.877529
5.932249
9.621815
8.273385
9.087985
6.773217
5.862545
6.702292
9.285134
7.959044
7.625538
7.136387
7.143712
5.954466
7.114170
8.820887
6.238044
6.893704
9.137547
8.835047
9.181143
9.290765
9.431150
6.568880
9.724128
8.306726
9.470702
6.564608
7.259697
7.719062
8.206992
7.107471
6.283837
6.290918
9.468261
8.296106
8.709937
7.378475
8.286706
9.716071
8.651830
7.497497
8.834574
8.611057
7.354671
9.068834
9.944349
8.921491
8.649754
6.218406
9.033143
6.233497
9.434889
6.062105
8.389080
9.193793
8.449385
9.518876
7.619526
8.540330
6.888180
7.243416
7.039552
6.942259
9.459181
7.840114
7.799829
6.220435
8.961119
6.052583
6.356426
9.851527
7.406384
8.372356
8.090365
8.650441
7.730003
8.514817
8.448531
6.508408
8.023026
9.098987
7.752510
8.215781
9.713752
8.197470
8.973861
8.213462
8.916730
9.061144
6.712195
9.010239
8.360073
8.983505
6.898968
9.184927
8.525117
6.468902
9.943129
7.607852
9.804331
9.673345
7.041185
8.486908
8.807840
7.024827
6.074114
7.281671
9.192373
8.898907
# Label of molecule (5)
0.862881
# Number of Instances of molecule (6)
3
10.573303
8.993060
9.660604
10.634232
12.258951
9.032061
11.203839
9.412987
10.241712
8.533914
8.619801
9.643920
9.607466
9.564377
12.766209
10.343243
8.254145
6.919813
7.641235
10.010510
7.429644
5.261347
9.719627
9.045596
6.539934
10.167044
8.739039
8.947691
8.398965
10.908411
9.479858
9.290765
7.981155
9.021348
8.375332
8.808573
8.737892
6.690222
6.959151
7.124805
8.788186
7.749580
7.930860
9.648808
7.065722
7.623722
9.817637
9.540895
9.600467
7.358943
7.290582
6.397610
9.439695
7.305109
7.659978
8.523652
9.437132
9.319819
8.426115
10.162008
6.855464
9.160588
8.249672
8.513108
9.878262
7.861721
6.443342
9.518876
8.634083
8.049959
7.393689
6.514634
8.603320
9.389111
8.414838
6.536851
7.652974
10.180883
6.569689
7.349376
10.289895
9.237495
10.028657
9.812464
9.093448
10.340556
7.295053
9.774499
10.204199
8.659963
# Label of molecule (6)
0.848391
# Number of Instances of molecule (7)
5
10.500869
9.019899
9.518154
10.471679
12.464285
9.075326
11.038291
9.468622
10.642487
8.700947
8.741657
9.652187
9.573278
9.711596
12.583622
10.573945
10.347925
7.450865
8.778035
8.528618
10.391106
5.249611
7.438698
8.105424
7.835918
8.920047
7.463022
8.702000
9.042233
10.510079
8.816218
6.043184
7.535539
8.876400
6.689077
9.272774
8.532762
7.521622
6.271828
7.366344
6.517808
6.103977
8.768731
6.806024
8.032746
7.825831
8.295450
9.626789
9.057436
6.021332
8.126743
7.650533
8.754326
7.465224
9.529984
8.587573
8.735282
9.734825
8.559252
9.879604
5.984390
5.958266
7.308039
8.433683
6.939375
6.005264
5.803354
6.765175
8.638524
9.061144
7.185110
8.431730
7.571718
8.394498
5.888195
6.631382
8.527436
7.979568
7.391537
9.690680
8.027299
8.167440
8.649388
9.309442
9.347285
6.224631
7.045701
5.861827
8.499115
7.614444
8.757744
6.102268
9.539018
7.027589
9.854701
7.312387
7.763329
9.518876
8.345134
8.736503
7.372082
9.100406
8.348796
7.898831
6.787225
7.185186
7.170537
7.681661
6.580065
8.810114
5.922330
9.433912
8.590747
7.819483
6.732658
7.947295
6.568590
8.102939
7.914701
8.174841
5.851650
8.944639
5.873623
6.463485
6.697378
9.272774
5.479812
6.572375
7.951323
5.830531
8.317911
7.634419
5.706503
5.866665
8.890805
5.495682
7.627949
8.140294
8.456099
7.622822
6.762078
7.466567
8.832942
7.222907
8.933164
8.131260
8.730888
8.419721
9.099918
6.045991
# Label of molecule (7)
0.829556
# Number of Instances of molecule (8)
5
10.652985
9.039299
9.545744
10.629226
12.502929
8.983557
11.456432
9.370414
10.209363
8.882861
7.599341
7.938544
9.651670
8.531686
11.262279
10.840099
10.960465
9.917607
10.392870
10.801006
7.839626
7.280800
10.380284
7.446879
8.859284
10.920669
9.027993
6.791485
9.429580
10.927126
6.924070
6.257424
8.405438
9.036927
7.790674
9.272774
6.060640
8.921323
8.350017
8.263955
5.716880
6.410260
7.705832
6.176733
6.743278
7.419935
7.276742
6.422712
6.621204
6.896847
6.217505
8.060701
8.940489
8.588549
7.707907
9.500809
8.449263
7.775414
7.983184
7.108158
5.819102
8.915876
8.341029
7.377499
9.324946
6.802286
5.893811
7.722724
7.470763
9.061144
6.132588
9.287591
5.491089
6.999924
5.516114
5.879528
7.587466
5.497925
9.111805
6.410672
7.787423
8.874371
7.528138
8.855937
6.670934
6.280419
5.904065
8.172079
5.838145
6.990158
5.657582
5.626209
6.707541
8.062441
8.195013
5.724113
5.553209
8.028138
6.130375
8.940275
8.877529
6.537248
8.297555
7.038240
8.447218
7.132847
6.649678
7.958556
6.634175
8.036073
6.556047
8.374584
6.285409
6.292611
5.965209
8.772423
7.648488
6.880032
7.311563
5.428571
8.329798
7.954665
7.731025
9.275018
5.900525
7.025925
8.249474
9.317499
7.187796
9.061144
7.896313
7.686468
6.093524
6.373318
7.965651
7.503723
7.291192
7.558168
5.852184
7.643498
7.960402
8.736915
5.860118
9.066515
7.387509
6.324000
8.064898
9.114002
8.309168
5.692755
# Label of molecule (8)
0.782475
# Number of Instances of molecule (9)
3
10.609650
9.059579
9.643491
10.703500
12.338581
9.096496
11.391331
9.439874
10.077627
8.614555
8.488391
9.965140
9.447607
9.913495
11.459440
8.395960
7.831459
7.535219
9.669609
8.932634
7.944163
6.252028
7.086629
6.142333
7.883619
8.362120
9.599993
8.131524
8.190486
10.946881
7.754952
5.179556
9.041124
5.341914
6.746864
8.120197
5.793954
7.457823
6.692663
9.061144
6.816324
8.052934
5.286004
7.007126
7.918897
8.148396
5.213736
6.555574
7.313288
5.950331
6.774453
6.580233
8.321009
7.326838
8.020707
8.968734
8.042802
6.025651
6.799844
6.289575
9.415967
5.613849
8.018097
8.634205
6.198706
9.272774
5.998260
8.945250
7.579974
6.654042
7.907987
6.710074
8.084017
8.945860
6.667837
6.576403
7.833888
8.925230
7.173956
7.967193
7.857570
6.578600
7.193854
5.993866
7.917386
5.777917
7.223518
9.113590
9.238227
8.884701
# Label of molecule (9)
0.837649
# Number of Instances of molecule (10)
3
10.621550
9.143587
9.623499
10.604263
12.488465
9.079281
11.407621
8.996655
10.168261
8.603364
8.005498
9.847783
9.588570
8.749545
10.307219
10.405262
8.489047
10.017875
7.813227
10.564503
10.279102
8.316403
7.687869
7.190441
7.705380
8.891834
9.628673
8.940425
9.020548
10.652176
6.689718
8.732261
5.515488
6.880886
5.721061
5.395734
8.576250
8.952483
9.241676
6.435560
8.877529
6.427259
7.462081
8.524003
9.226905
7.082430
6.674703
7.956847
8.886319
6.685446
8.748619
5.925047
5.361675
6.199591
7.679617
8.746422
6.933622
7.886166
6.071291
8.433058
11.167699
9.719901
10.488113
9.971252
8.822169
8.433119
10.821863
9.641285
9.510178
9.809626
8.708518
10.020203
10.282296
9.162877
9.488571
9.102084
10.766198
11.504501
11.046968
8.665304
9.600269
11.002655
8.039430
9.163976
8.920927
8.401379
9.861751
10.518387
9.780694
11.776605
# Label of molecule (10)
0.795198
# Number of Instances of molecule (11)
4
10.671767
9.143936
9.470598
10.691045
12.402250
8.818314
11.594036
9.029125
10.494068
8.918633
8.435231
10.192196
9.615981
8.180244
11.115995
8.775253
9.485659
9.233316
10.804569
7.957089
11.177003
7.683171
8.502652
8.262929
7.913036
8.574197
7.016701
6.462859
8.457303
8.914672
10.703085
9.325724
10.420118
10.161443
11.416364
8.798853
10.653768
9.052400
11.243507
8.037721
10.286935
10.523881
8.312143
8.354625
8.530168
10.031434
11.096408
10.286447
8.464125
11.408185
10.250191
10.695883
11.306009
11.227515
10.401807
11.614246
10.575152
8.096072
11.284768
10.702475
7.342311
6.967177
9.031938
6.598025
8.599429
9.025712
6.574099
5.993027
8.634465
8.249931
6.401364
8.581240
9.747536
7.391629
6.723029
8.309870
7.159322
7.016861
5.911115
9.437712
7.032487
9.044633
6.455321
6.834727
7.453154
7.027360
5.815287
6.212882
7.749306
9.049883
9.691412
9.290765
8.252892
6.027238
6.917646
9.090442
8.684301
8.507294
8.544771
5.985488
6.979415
7.369076
6.888958
9.135731
5.940199
8.770974
7.261773
7.604556
6.324488
6.615513
8.178060
8.336390
8.487518
6.788491
7.525452
7.873730
7.922926
6.325587
8.070025
7.693548
# Label of molecule (11)
0.726919
# Number of Instances of molecule (12)
5
10.426939
9.029887
9.610458
10.473465
12.164503
9.106026
11.149497
9.442550
10.610504
8.902670
8.621970
9.935310
9.166665
8.081536
10.791916
8.461797
8.378721
9.876209
9.228478
7.610411
9.651645
7.172969
8.800838
6.075163
6.411847
10.698909
7.668297
8.553465
8.795008
10.270942
8.690039
7.682684
8.414151
7.088305
8.878155
5.321162
5.744392
6.239280
8.608860
9.061144
6.562532
7.794137
8.763649
7.670598
6.604160
7.276543
8.808206
7.959670
6.716956
6.437162
5.643193
7.796945
8.973739
5.798105
8.197714
9.025132
5.713996
6.533113
5.639042
6.650304
5.688482
9.290765
5.716193
6.324122
9.242668
7.590884
6.280663
7.500916
6.356594
6.151265
7.750069
6.628819
7.226493
7.114063
7.227103
7.353572
9.221915
8.955794
6.860149
6.309351
6.174581
9.192251
5.893200
6.850993
8.410367
5.981338
8.646702
9.121815
7.394955
7.000046
8.859462
7.951598
8.345286
7.107456
8.373119
9.181494
5.662099
7.881527
8.993500
8.523759
8.877529
8.956999
7.199255
7.088046
6.179449
9.445051
6.733055
6.111576
6.235847
5.707022
6.327036
7.351115
6.181036
6.274422
9.171484
7.373577
6.534318
6.103641
7.999939
6.119877
5.205664
7.656667
6.015015
8.921720
8.632038
8.256050
6.337291
6.911649
7.990905
7.263344
8.877529
7.105869
7.013092
6.349620
6.628315
7.424848
8.282540
8.606281
7.995666
8.801233
7.400433
8.624592
8.722983
7.286416
7.890561
7.474288
5.747185
8.493851
6.722678
8.954802
# Label of molecule (12)
0.735338
# Number of Instances of molecule (13)
3
10.490107
8.960725
9.745192
10.622204
12.213361
8.790611
11.119336
9.163932
10.163576
8.877437
8.526898
8.422394
7.124511
10.048374
11.071136
10.740372
7.690563
8.954547
10.384707
10.975210
8.127454
7.760317
10.402744
7.945188
7.167906
8.654293
9.775621
9.256284
10.013078
8.138225
7.499695
5.167837
5.912000
8.819559
6.845012
7.196707
5.376949
5.790048
7.519471
9.061144
8.510102
6.323511
9.097888
6.518952
8.881817
8.093219
7.661443
7.108325
7.097949
8.344325
5.252190
5.947279
5.281976
5.674444
6.226463
5.464476
5.892468
6.431791
8.881085
7.933546
7.071215
8.029984
6.506134
6.423978
8.136677
8.228721
8.323817
6.486236
6.657018
9.061144
6.870647
7.433287
7.549501
8.245811
8.557833
7.186331
6.030656
8.715064
9.093493
7.765694
6.758827
6.352443
9.152455
6.508820
8.874126
8.660497
9.381710
6.906293
9.312616
9.232658
# Label of molecule (13)
0.733066
# Number of Instances of molecule (14)
4
10.400841
9.041942
9.514873
10.668221
12.341118
8.715673
11.278213
9.466105
10.329158
8.748614
8.520816
8.761843
7.699884
7.686985
10.488406
10.835147
7.284426
7.663419
9.176858
8.777119
8.194540
5.935364
7.165739
8.292063
8.135094
9.711927
7.131960
7.009566
7.708696
10.742517
8.869930
7.284555
8.441206
7.505509
7.713889
9.272774
8.805841
8.351360
7.516251
6.520371
8.193152
6.367046
7.073244
9.151189
6.426008
8.321574
7.761864
9.608966
6.981567
9.886074
9.152776
8.703055
7.083621
10.050020
9.552690
6.987793
9.413404
9.809412
8.351482
8.854793
10.744224
10.404492
11.047456
10.877529
9.532273
8.303964
8.841212
8.046876
8.305307
8.432386
9.973815
9.215613
8.976470
11.785150
11.922239
9.569384
11.973388
8.439344
10.844691
9.176550
11.788202
8.787255
9.111118
8.091800
8.457900
11.103000
11.451888
8.731956
11.848872
8.821314
8.008133
9.290765
7.669622
9.226676
10.133686
9.048326
9.890759
8.055864
8.846904
6.806803
8.264611
9.001083
6.896649
9.777230
6.391018
6.758217
8.979965
6.514069
9.078722
10.387234
9.229484
7.336116
7.312433
7.101001
9.630863
8.080401
6.839518
8.331385
10.245628
8.569552
# Label of molecule (14)
0.680791
# Number of Instances of molecule (15)
4
10.610499
9.019411
9.602724
10.660797
12.656398
9.130384
11.487589
9.280005
10.169317
7.130596
7.607896
9.223349
8.013855
8.547598
10.759530
8.297884
9.729755
10.193816
9.863329
9.448325
10.371506
8.044180
7.961381
8.431864
7.312949
11.457317
7.406090
7.332898
9.417692
7.782984
9.156362
5.772469
7.369686
5.838633
8.657689
8.279260
7.214896
7.278619
7.112232
9.061144
6.270653
7.816965
6.193014
9.369747
7.535340
8.345180
5.941053
7.220023
7.831614
8.433195
7.558779
9.233512
6.972091
6.620762
5.541383
8.098224
9.198111
6.515778
8.517548
5.521851
6.313700
6.688711
5.700766
9.550005
5.794275
9.272774
8.746025
8.745170
6.908444
6.939940
7.479629
8.861995
7.575945
8.471358
5.691855
6.717521
8.846126
8.438032
6.977783
7.678121
6.879391
8.482833
8.589892
8.889096
9.265450
7.217170
6.565172
7.309458
7.051393
6.612537
7.395550
8.294870
7.886044
9.061617
8.989715
6.391491
7.154942
8.919279
6.700095
7.877621
8.877529
5.816523
6.037599
5.531968
8.729209
5.715079
5.903562
6.450819
5.670766
8.496536
7.760063
6.766991
8.489334
6.130009
8.134709
5.984375
8.610920
8.644856
5.837397
8.806360
# Label of molecule (15)
0.681554
# Number of Instances of molecule (16)
3
10.419160
9.140054
9.677225
10.549231
12.484995
8.988436
10.846637
7.299150
10.373974
8.031844
8.814509
7.434956
8.468069
8.588579
10.476480
9.694160
10.249666
8.214280
10.994266
9.495626
7.674536
7.461064
7.728143
7.921214
7.625096
11.136452
7.873788
8.876486
9.224954
8.183742
8.780969
8.726157
6.034059
6.932279
6.646626
5.201392
7.875423
8.833827
6.008545
7.521897
8.877529
8.948820
5.047090
8.415113
8.946623
8.414747
7.815363
7.355266
7.151402
6.327647
5.832026
6.478164
5.765496
8.623371
5.292215
6.770287
8.114322
5.667348
7.769829
6.906156
6.945219
5.766839
7.951353
7.799982
9.286233
7.068758
6.082522
8.889859
6.423719
8.341990
8.877529
8.206122
5.942259
7.481124
9.042940
7.269936
8.326487
9.107639
6.319102
9.510117
5.991089
9.172460
6.459975
9.331767
6.929960
6.832545
9.017182
8.894253
6.855251
5.976196
# Label of molecule (16)
0.593126
# Number of Instances of molecule (17)
3
10.586081
9.147111
9.710495
10.757335
12.027666
8.741704
11.286369
9.197289
9.036647
7.496210
6.234331
7.714262
8.336647
7.776071
12.269420
9.634537
9.516573
7.421597
8.284364
9.560808
10.283302
8.097470
9.488492
9.036997
8.285958
10.031597
7.855849
8.327184
10.226730
10.015284
8.088687
8.571734
8.162297
7.630787
6.099124
6.301035
7.799005
6.291757
6.945097
7.334758
8.877529
7.393109
8.135929
5.636708
8.217231
8.188299
6.368419
8.447096
8.943937
9.291238
7.505539
9.136204
5.932615
7.198645
5.826655
6.864406
8.961882
9.306253
6.928495
7.922422
7.307749
6.283425
7.329600
7.391247
9.044252
6.289773
9.918546
9.518876
7.853786
6.237892
6.651479
6.941527
7.693991
8.549120
9.263131
9.250801
8.190222
7.290780
8.242836
8.362590
7.301401
7.970000
6.466659
7.478774
8.259316
9.130070
9.537919
7.539567
9.155339
8.627125
# Label of molecule (17)
0.606304
# Number of Instances of molecule (18)
3
10.560881
9.146744
9.529522
10.801313
12.016997
8.770940
11.357733
9.359539
7.824875
7.941213
8.528886
8.457959
9.292962
8.164610
11.422459
9.331569
10.647989
8.130371
7.428315
7.988238
10.446992
8.223193
7.002871
7.470449
6.179269
9.428003
7.766370
7.969390
9.044874
9.025692
7.754219
9.290765
6.449370
7.221732
7.691839
9.125843
7.216849
8.672704
6.231468
6.449370
7.389706
9.168325
6.364040
9.356685
9.140492
7.971999
9.969253
10.096698
9.396725
9.517212
7.482971
7.077685
9.676153
9.720222
7.370052
9.584597
9.414548
6.943770
8.275353
6.579501
6.116825
6.352306
7.397870
8.831507
6.677755
8.075259
7.057405
8.303903
7.363079
7.428510
8.877529
5.649037
7.276772
5.953368
7.274697
8.840541
9.282693
6.294198
8.885220
8.689047
8.609577
6.391369
6.837794
8.844447
8.260811
7.385662
9.519395
7.445235
8.104068
8.607379
# Label of molecule (18)
0.641363
# Number of Instances of molecule (19)
3
10.396209
9.135187
9.278096
10.566492
12.191436
9.172775
11.056025
9.154822
8.416171
6.994305
8.524566
9.841917
7.444783
8.327703
12.501593
9.924397
8.235528
8.025652
8.581900
10.479131
7.703471
5.602828
8.775280
5.814477
6.073756
10.945415
8.946033
6.451545
7.033396
9.474278
6.577136
6.280007
7.805567
7.670431
8.589526
7.164678
9.081729
9.518876
9.205512
5.870693
7.279794
8.657521
7.389660
9.208808
9.574053
8.074862
9.608112
9.638874
9.811731
9.241523
8.396405
8.418012
5.890103
7.394543
8.638966
7.241218
6.781732
6.502548
6.933348
6.247902
7.891415
8.747642
9.430403
8.133000
7.899106
7.684133
7.832453
7.467452
8.841884
8.847621
8.877529
8.018860
9.661367
7.198889
10.230598
7.915708
10.250252
7.312784
6.397595
10.077639
10.207526
6.964019
9.791009
7.436934
6.304697
8.204657
8.439772
6.840846
10.038942
9.808588
# Label of molecule (19)
0.633283
# Number of Instances of molecule (20)
4
10.461250
8.932996
9.636003
10.766888
12.057354
8.983784
11.175163
9.034939
8.996044
7.745961
8.069450
9.110323
8.956488
10.017476
10.204372
8.144943
10.502727
8.675222
10.172707
7.714934
9.487955
6.947303
9.437485
6.009511
7.654717
7.847111
9.496442
8.418111
10.315890
8.823407
6.623692
5.910047
9.183340
7.788644
6.839274
5.371944
6.470977
8.509980
7.993484
9.061144
5.369625
7.695990
9.253655
5.405637
8.444914
7.123585
5.830821
8.511200
6.170309
8.049638
5.440672
6.599277
6.024796
7.051805
6.255882
9.095813
6.269066
5.956435
6.225608
8.740455
7.191198
8.650472
6.851711
7.738456
6.352672
5.389752
7.075472
5.005219
8.258980
7.719901
8.877529
6.516251
8.133488
8.341136
8.120426
6.505875
7.708792
8.299142
5.382794
8.825648
8.124088
5.111179
4.994964
5.971679
7.315104
6.541765
5.752434
7.200964
7.772271
6.399792
6.997559
9.194891
5.716391
8.485031
5.788537
9.272774
5.828089
8.130772
9.097110
5.685507
6.999268
5.790246
8.171911
7.999786
7.107913
6.499496
6.735343
6.294900
9.056703
8.548143
6.319071
6.977905
5.745567
5.694906
7.091067
9.245430
7.724387
5.470901
6.051119
6.568957
# Label of molecule (20)
0.622399
# Number of Instances of molecule (21)
3
10.497665
9.000465
9.568357
10.702562
12.129329
8.745642
11.067333
9.047629
10.107787
8.736725
8.000501
10.067503
8.046260
8.740479
11.225079
9.401970
10.678329
9.461116
9.308495
10.244244
10.560630
5.672086
9.177139
7.399537
6.590699
9.348265
8.903173
7.010604
7.298012
8.427154
8.362346
7.591571
9.003357
9.578814
5.987274
9.272774
7.094729
6.079928
8.578539
8.516892
5.709555
8.750298
9.215522
9.388745
6.518418
7.697897
6.326762
8.095370
8.218421
6.145482
6.879513
5.833216
7.124516
8.131748
8.216224
6.315409
7.847560
9.581622
6.915647
6.852412
9.429289
6.240959
6.703253
9.368862
6.606571
8.072436
9.955061
8.879467
8.137135
7.989059
7.970504
6.663579
9.747536
6.227287
8.252983
9.226035
9.181600
9.974349
7.469024
9.087848
9.076983
8.153005
7.227683
7.926069
9.489837
9.886212
6.944716
6.081530
6.443113
7.515656
# Label of molecule (21)
0.646187
# Number of Instances of molecule (22)
5
10.594584
9.115936
9.324825
10.507602
12.574079
9.083794
10.682411
6.703808
9.278733
7.986100
8.811629
9.822180
8.950277
8.920780
10.505693
8.129503
10.104634
6.955424
9.337237
8.640178
9.497056
7.969631
7.590059
7.723347
8.001696
11.000527
8.706384
7.079941
8.583227
10.478541
8.796976
9.290765
8.564547
5.823496
8.832011
8.472625
7.966506
7.042405
7.287652
8.619480
8.407804
6.083026
6.899701
7.931349
7.591983
9.601199
9.472289
6.545198
9.543580
6.356716
6.536897
8.688452
6.622593
9.114612
7.692816
7.919141
5.907849
8.566988
7.499695
6.826090
5.607776
8.371654
6.671285
6.474013
6.164922
7.417035
6.174078
7.285562
8.455763
8.888516
8.877529
7.126988
5.544053
7.850032
7.287393
6.250008
6.870632
5.939085
7.633229
7.867000
6.849391
8.708335
7.319864
6.737327
6.145512
9.052339
7.747856
8.778771
6.506363
8.095889
6.416517
7.312540
6.291269
6.060549
8.088321
8.883023
8.810755
8.859828
8.570757
7.580737
8.877529
9.121311
7.974181
9.677480
9.269021
6.787378
7.594409
6.155278
9.387921
7.115635
8.447096
9.235450
6.152593
7.954161
9.482040
5.992798
9.254616
9.040010
6.352672
8.432203
9.505982
9.290765
6.105609
7.190237
7.119190
7.594668
9.167104
6.793863
6.133808
7.717231
6.058000
6.266991
6.425443
9.481933
9.296014
7.335627
9.363887
9.058824
6.426054
8.897076
6.284570
6.681555
8.348964
8.981674
9.641362
6.449492
7.015305
7.739204
7.712104
7.590640
# Label of molecule (22)
0.566523
# Number of Instances of molecule (23)
3
10.454764
8.980962
9.746731
10.784596
12.451556
9.198840
11.226658
9.136815
10.442772
6.367525
8.164912
8.806905
7.835176
7.965900
10.882072
10.382928
9.331547
10.379773
8.874148
10.991361
10.558646
6.110914
10.137752
7.989597
6.385086
8.337852
6.855467
9.437620
9.797665
8.293954
7.640278
8.114170
8.079012
8.644704
6.223731
9.272774
5.429151
7.683370
8.979553
5.632160
6.387066
6.408185
5.865078
7.596210
6.527818
6.993042
6.958617
7.900784
6.808588
8.570116
8.549974
8.817072
8.905942
8.256508
9.317576
8.721366
5.576250
7.735984
7.967681
7.906522
8.203253
8.007691
9.888852
7.510239
7.426496
5.940123
7.025117
6.009461
5.984191
7.662587
6.599933
7.748161
6.416700
7.724723
8.253914
7.630238
7.521592
7.911252
9.364666
6.264229
9.632252
7.881832
7.072237
7.927244
8.982818
6.178167
6.327464
7.083956
8.533952
7.474227
# Label of molecule (23)
0.670284
# Number of Instances of molecule (24)
4
10.669991
9.029896
9.743314
10.714988
12.246474
8.770104
9.166550
8.995670
8.621781
8.378921
8.005753
9.170188
8.169850
9.637448
9.880402
8.972862
8.289311
7.001719
7.977515
9.664062
10.840640
8.302840
7.344429
6.434278
6.343923
10.401476
8.337940
6.778718
8.113655
8.992998
7.705390
8.000809
8.759133
9.955458
7.683538
8.643773
6.998459
6.572176
9.186148
9.061144
7.030931
7.305719
9.461913
7.304865
9.877331
7.923414
9.298700
8.375454
6.254662
8.877667
6.539338
7.621281
8.416593
10.044572
9.963637
6.162740
8.545747
7.925367
9.412473
8.713477
7.303873
7.448775
7.608570
7.661672
7.772393
6.656148
8.096255
9.129612
6.411023
5.642689
8.877529
6.710715
7.020905
8.807093
8.359569
8.423902
8.344920
8.351146
5.892209
6.796045
9.020234
6.368664
6.544939
7.790216
7.898740
7.955260
7.438032
9.193335
7.608448
7.717582
8.145466
6.969039
9.465819
9.963271
8.895245
6.510651
6.433134
6.558626
6.646275
9.061144
6.676916
8.848491
7.221000
7.458678
10.209738
8.945418
6.285791
8.701392
8.732521
8.795511
9.741462
6.721473
7.349544
7.291925
8.480438
9.183462
6.837321
7.851512
7.386288
8.681249
# Label of molecule (24)
0.555664
# Number of Instances of molecule (25)
5
10.704720
8.953401
9.427789
10.292197
12.275989
6.560046
10.684445
7.462740
10.091764
6.280070
8.130183
8.463530
6.738274
8.945217
9.297362
8.230455
9.581505
9.567393
8.582475
9.911525
11.069549
6.772522
7.191630
6.115222
6.273955
8.996437
7.366776
7.980912
8.340516
9.626309
5.925260
6.043550
7.519425
8.176061
7.132939
8.601611
8.387982
9.518876
6.481674
8.849178
5.864345
7.353038
7.972076
6.665395
7.781884
8.098300
6.974487
5.610309
6.955077
7.588641
8.379559
8.514451
8.669240
6.704459
8.771294
7.622089
8.631764
7.246712
8.998962
8.166051
9.574450
6.297372
8.221625
6.414075
6.957183
7.935240
8.829188
6.954985
7.884579
6.192755
8.877529
8.302561
7.078158
7.210730
7.825495
6.706198
9.485336
6.056520
7.937681
8.670003
7.116611
7.251869
7.960875
9.020722
6.906278
6.853298
6.263436
8.221747
7.972106
6.964507
9.351802
8.255699
8.043657
9.476684
6.367214
7.142262
7.854564
8.629490
6.555086
9.061144
6.522980
9.558596
9.452391
6.632969
6.977462
9.312006
9.176748
10.152120
10.276025
7.532044
9.952651
9.049547
7.471007
6.961470
7.658269
9.913343
7.935499
8.194296
7.773507
9.936537
8.043336
6.614582
9.888852
8.832911
8.570818
6.903043
8.664205
6.371044
8.873196
7.868770
7.047823
9.059359
7.396100
8.831568
7.281472
9.713187
7.022065
7.030366
6.560625
7.581896
9.282754
8.025513
7.087130
7.293191
9.594287
7.654408
9.581957
7.039888
7.892087
8.418470
# Label of molecule (25)
0.385715
# Number of Instances of molecule (26)
4
10.626929
9.253199
9.285039
10.367999
12.231229
6.533388
10.086114
8.358234
9.223539
7.599114
8.444690
7.514000
9.315376
9.177724
8.356416
9.693507
8.456639
9.801871
10.909190
7.396174
10.121246
8.334775
7.994685
6.052706
6.036678
9.182333
9.505680
7.586270
9.762662
8.009299
6.647725
7.089999
8.634480
9.019013
8.137150
6.265023
5.700552
6.799219
6.290902
5.551988
8.877529
6.027955
6.483291
5.350078
7.421674
5.897702
6.999664
7.161168
7.202918
5.836055
7.313639
8.016419
6.524064
8.116276
5.918455
8.365062
7.183264
5.866329
6.588763
6.797998
6.250145
9.288324
7.554628
5.715094
5.507202
8.492401
8.482391
9.202750
7.271050
9.061144
8.607517
7.355281
8.270959
6.238182
5.860240
6.910932
8.893658
5.693976
9.124012
7.885937
6.397488
8.140584
8.492157
7.872509
8.682226
6.406278
7.768380
6.736122
7.486511
8.348842
8.006623
9.091006
5.615680
8.005036
9.122135
9.272774
7.615741
6.741203
8.818903
8.405805
7.304331
7.427259
7.400525
8.422285
6.253883
7.940825
7.073733
8.504929
6.829829
5.980071
6.100558
7.889554
8.885556
9.050600
8.505417
8.128574
7.698752
7.848170
8.210242
8.189367
# Label of molecule (26)
0.384510
# Number of Instances of molecule (27)
4
10.427685
9.030823
9.423117
10.556493
12.260180
9.102026
8.657907
8.314634
10.221158
7.503420
7.243329
8.666321
9.190436
7.345071
9.546366
7.388768
10.068893
7.728632
10.705812
8.372411
9.373968
5.416793
10.383935
8.631957
7.320405
9.533204
9.518033
7.409190
8.651363
10.588752
5.987915
8.404248
6.062380
8.172674
6.158208
7.618824
6.607685
7.642628
8.455397
8.717002
8.877529
7.648122
7.718802
9.462142
7.809626
9.192480
6.187750
6.590228
7.748344
6.201300
8.677694
9.379864
7.805841
7.104648
7.218665
8.463820
8.621296
8.847621
8.529862
5.758782
7.608341
9.290765
5.965590
9.189444
9.383419
7.366146
9.415036
7.968093
8.373745
8.529389
8.578829
8.784524
5.638676
7.091968
8.315394
5.618168
8.961165
8.678564
5.932752
7.054857
6.211570
6.233299
6.237327
5.805307
7.175222
6.269921
8.980209
7.654607
7.212210
7.237846
9.092135
6.842433
8.940153
8.819056
6.607929
6.427381
9.522446
8.167058
7.761895
6.708029
8.877529
8.506180
7.676199
9.513901
9.378033
8.511063
9.021332
7.826472
10.389538
6.645894
9.567003
8.224555
9.005951
6.621357
9.196753
6.570940
8.184271
9.280862
9.755852
6.817164
# Label of molecule (27)
0.503481
# Number of Instances of molecule (28)
4
10.716939
9.180958
9.469483
10.490788
12.283665
8.086593
8.738850
7.908139
9.905737
8.760499
7.791789
8.365980
8.618678
9.042044
8.088842
7.982729
7.903860
6.973341
9.178927
7.301342
7.451461
6.007508
9.268642
8.615367
8.308225
11.575071
6.513663
7.546930
9.351318
8.125748
8.395825
8.009705
8.214057
5.930906
6.381726
8.232124
5.420026
6.009522
8.492996
7.548753
8.877529
6.353526
8.499588
6.142705
5.807123
7.439375
5.503769
6.775170
8.087100
7.366619
7.259926
6.897244
5.583605
7.246620
8.735679
8.158757
7.912900
7.426191
7.791925
7.690970
6.515488
6.199561
7.519547
9.108463
8.111972
9.272774
7.483047
6.041963
7.154790
6.203589
7.504776
5.760094
5.837733
9.470901
6.656972
7.657857
6.026582
7.174078
8.352458
8.265175
7.016236
8.833796
9.613727
7.823145
9.529984
7.586566
5.771325
6.694815
7.836818
7.156499
5.742058
7.855281
8.723106
8.648762
7.034822
8.695761
7.642140
8.094913
6.499405
6.225593
8.877529
7.022492
5.721915
8.812830
7.071322
9.088961
7.800470
6.989654
8.390332
8.098331
9.539048
8.939177
7.731620
7.765191
6.885525
7.379070
8.359203
6.312876
7.485763
6.219367
# Label of molecule (28)
0.430491
# Number of Instances of molecule (29)
5
10.181902
8.889499
9.508506
10.860553
12.287656
8.992520
10.830774
6.944940
7.977019
6.969330
6.959146
7.942175
7.740031
9.091587
11.029967
8.865307
8.935408
10.133611
9.753995
8.537963
8.035167
6.134000
7.156445
5.972689
7.044212
10.577210
8.558147
7.282971
8.867106
7.975103
8.983856
8.634480
7.205969
7.862484
8.795495
6.996490
6.837550
9.078463
6.164922
8.544389
8.877529
8.407178
8.020325
6.216803
9.539293
6.816919
9.039888
9.343974
9.706656
10.037599
6.513565
8.728721
9.071993
8.871670
8.602130
6.157964
7.110263
8.624714
8.369213
9.218970
11.868892
8.199591
8.619404
11.921628
9.228065
8.517838
10.017762
8.685812
11.681997
10.133488
9.554247
9.299844
8.829127
8.711570
11.736320
11.370342
9.061678
9.992126
11.253273
8.042482
8.113529
10.809046
8.301889
9.750298
10.007385
11.538926
9.748589
10.081484
8.774438
8.854518
6.956954
9.290765
9.101672
7.394711
9.467650
6.700720
6.111591
7.635075
7.678167
6.970870
6.167501
6.835002
9.451659
8.211264
7.414365
5.708502
5.987320
7.790597
9.190298
6.785562
6.057024
7.292535
8.540864
9.599124
5.639286
7.901929
9.567385
8.988876
9.326899
9.096179
5.658452
9.290765
7.055101
5.813730
6.096454
6.662511
8.568819
5.567019
6.657872
7.658391
7.963942
6.512970
9.063707
8.552217
6.366604
6.941328
8.414640
5.560060
6.608066
8.735694
9.114002
7.734199
6.925825
5.996475
7.189749
7.286554
6.500031
7.784616
7.389706
8.217612
# Label of molecule (29)
0.412886
# Number of Instances of molecule (30)
3
10.347868
9.185354
9.432478
10.499506
12.608755
8.936242
11.447206
8.242764
9.208277
6.373619
7.512774
8.156604
8.351935
9.298191
9.627909
8.633873
7.940750
8.465116
10.544742
10.416833
10.462276
6.641124
8.002762
6.615352
6.827261
11.536696
9.044428
6.938360
7.059814
10.843833
7.129185
9.066012
8.194403
9.930418
9.972167
8.450392
9.522202
8.663167
6.570330
8.170598
8.877529
9.040132
8.681845
7.345988
7.108798
9.245338
7.873470
8.325144
6.711936
8.726402
8.290963
8.761193
7.330363
7.891903
6.856716
7.522996
9.371685
8.580889
9.773797
7.818781
7.046663
5.741203
5.531846
5.112888
8.867641
6.586566
7.139683
5.509995
5.311136
8.886319
8.877529
6.569353
5.455550
6.772362
8.575518
5.657216
5.371319
6.617573
5.989013
5.634266
8.828822
8.298288
7.736259
7.239784
6.433729
7.293619
7.351115
5.249001
6.068728
8.996063
# Label of molecule (30)
0.532023
# Number of Instances of molecule (31)
5
10.221434
8.836308
9.404542
10.388347
12.209566
8.330520
8.849690
7.104188
9.321256
9.034452
6.234416
6.497530
6.746775
8.984277
9.958577
7.250771
8.398488
9.252234
8.418991
10.535546
10.725836
6.803111
7.426749
7.258926
7.608958
9.702364
9.168280
6.602053
8.667984
7.353807
7.491882
9.205802
5.967421
5.774056
7.544130
6.906659
6.460112
7.419126
6.821329
9.061144
5.637211
6.649327
5.511719
6.869793
6.511139
6.199484
6.567537
8.513520
6.549593
5.245231
7.343318
6.965011
7.434507
8.415738
6.069475
8.918439
6.595126
8.108356
6.538484
8.709937
6.558016
9.290765
6.989792
5.705695
8.450163
9.023545
7.757271
5.675176
7.719062
6.930952
7.713569
6.427396
7.596866
6.602329
8.334681
8.856548
7.591128
7.384335
6.282128
7.919507
8.310877
5.630253
7.850291
8.584811
6.128071
8.067095
8.185873
6.085711
9.050890
9.154042
7.438124
6.566393
8.001862
8.762993
9.390210
9.133610
7.091433
9.518876
6.048677
6.969726
6.536119
7.424451
9.033265
6.521470
7.369518
8.752983
9.250435
8.269814
8.041169
6.960814
6.907590
9.417432
7.550676
9.575152
6.362285
5.692953
8.356365
8.383221
7.181402
8.147374
8.131169
8.160710
5.182104
7.659230
7.410077
6.474258
8.562944
7.147618
6.652974
6.274178
8.877529
5.072848
7.210242
7.332926
7.810236
8.305612
6.231697
5.234840
8.192450
7.520676
7.867122
7.500900
5.823481
7.022004
6.302255
7.830012
8.066469
8.870937
8.007385
6.333384
# Label of molecule (31)
0.325707
# Number of Instances of molecule (32)
3
10.677754
9.167926
9.626973
10.793120
12.420979
9.129816
9.004358
8.573401
9.650213
6.644139
8.021677
9.913513
6.330408
7.816297
9.580132
9.893005
7.451983
9.558268
9.900924
10.262356
8.873915
6.910461
9.511395
8.750920
5.927385
9.489689
6.574247
6.450299
8.720489
7.822841
6.639180
7.085116
8.647664
8.195624
5.618763
6.643086
7.377117
9.378765
8.888882
5.528306
8.877529
8.667806
6.279794
6.008667
6.870022
8.229804
5.488632
7.459761
6.623432
9.129856
7.078890
7.561449
8.652058
6.742821
7.596850
8.268014
8.719199
7.376263
6.680197
8.926969
8.500626
7.386456
9.888852
7.274514
6.618732
8.674459
6.095523
9.407270
9.114048
8.604266
7.619984
8.949004
6.548662
9.376507
6.437208
6.840785
7.629627
6.529496
9.190710
9.121250
7.644520
6.824061
7.827754
6.525346
8.016358
9.900693
9.541673
6.294992
6.849574
8.086184
# Label of molecule (32)
0.554893
# Number of Instances of molecule (33)
5
10.332561
9.106658
9.281331
10.386522
12.105453
7.393230
8.892196
7.898036
10.309757
6.258785
6.261013
7.373788
8.885736
7.150128
8.183788
7.061416
7.522661
9.473691
8.514414
10.643414
11.197070
7.414988
10.067382
7.160599
8.258584
8.440065
9.554985
7.731173
7.261468
7.910524
6.218604
6.070284
6.669546
8.296548
5.857875
6.366924
5.644978
9.518876
8.755181
8.584887
6.200049
8.843562
8.256874
6.862545
7.355235
6.902585
8.008332
6.749260
6.127171
8.838679
9.213202
5.715293
9.502518
8.734428
7.665792
6.969237
8.622730
7.033692
6.932493
9.452101
8.696234
7.527741
9.667089
9.538301
6.800668
7.405789
10.129505
7.981368
6.964492
6.761727
6.538697
6.370968
9.747536
7.644078
9.221274
8.254814
6.739143
9.132893
9.198080
9.906354
8.505188
6.788217
6.346919
9.190756
9.307459
8.404233
6.775277
6.424924
6.972915
8.941115
6.035783
9.264275
6.508332
6.114277
8.027787
7.060472
8.230430
8.828959
9.542482
9.061144
6.788491
9.176016
7.446837
8.443449
6.657750
7.587588
7.868603
8.537080
9.207877
8.936628
6.828898
9.210807
9.051744
7.840159
6.651036
8.562716
6.605991
8.956648
6.516388
6.791421
6.954619
8.532182
6.777978
5.800531
6.178228
6.067751
5.329447
5.696768
7.799982
7.454268
8.877529
6.503067
6.088015
8.216376
6.889920
7.504929
8.301462
6.651997
7.428755
7.643117
8.011170
9.157323
5.685659
7.255531
9.195532
5.853389
7.730522
7.810602
7.483566
7.395917
# Label of molecule (33)
0.347834
# Number of Instances of molecule (34)
4
10.380548
8.903804
9.364720
10.342563
12.176018
6.965574
10.706105
9.175478
9.281709
8.246493
7.127708
7.333289
6.913697
8.968144
8.408691
9.700736
9.975575
7.254336
8.501193
9.834113
10.552696
7.810529
7.748502
7.542778
7.040330
11.462577
7.236370
8.417800
9.361445
10.200702
8.847621
8.615802
8.783044
7.481491
7.262978
8.722617
7.209876
6.273324
8.581988
6.961333
8.877529
8.802454
6.680074
7.317057
8.684408
8.371899
5.949095
8.267037
6.113651
5.932981
8.495071
7.692068
7.850398
5.555528
5.642079
8.999359
6.389782
9.045991
8.615436
5.830439
7.838084
9.290765
6.068865
6.850627
8.362514
7.717353
7.563540
6.049455
6.696814
6.750771
6.852214
9.279656
8.720313
7.900220
7.592593
6.757118
5.949110
9.366451
7.742500
9.264153
9.673101
7.140187
6.613315
7.306452
8.395474
8.313074
6.917280
8.420011
7.454527
5.972915
7.919736
7.282022
6.118412
7.249794
6.311899
6.785546
7.028596
8.299387
7.340129
7.642384
8.877529
7.180090
8.106143
7.729423
6.051393
9.614978
5.969604
9.314676
8.451003
8.310251
7.622242
8.342845
8.983367
9.802240
8.465773
6.933500
9.045747
6.449355
9.170263
6.464248
# Label of molecule (34)
0.420694
# Number of Instances of molecule (35)
4
8.676653
8.050927
7.770506
9.413828
9.357088
7.654493
8.443447
9.148272
9.081762
8.199546
7.517296
6.168156
6.833089
7.889482
10.558035
8.498250
7.321890
7.780936
10.609699
8.661291
7.523564
7.954240
8.533522
7.190340
6.710921
8.725304
7.687203
7.598934
6.952052
7.612353
6.053484
8.615085
5.197256
5.710211
9.170278
6.836100
6.966964
8.099689
8.947249
9.061144
5.685308
8.739967
8.528901
9.039048
5.869640
8.834208
7.348567
8.963118
8.357021
8.534394
6.789956
7.837474
8.524384
6.194845
9.060045
5.836314
5.657964
8.805765
6.647252
6.529817
6.179708
9.290765
7.200980
6.309717
9.426267
7.126026
7.183767
7.835032
9.393918
8.385586
6.932783
9.575808
6.126118
7.452818
6.253075
6.734901
8.154866
6.870281
8.187704
9.522706
6.348781
6.143941
8.924909
8.347987
7.974319
9.539796
5.854869
9.188711
8.340907
6.746254
7.837565
6.711066
8.668767
7.583773
9.158528
7.945723
6.995865
6.861095
8.533021
7.616611
8.412778
8.457213
9.747536
6.710578
6.605838
8.293390
6.775643
9.588351
6.917737
8.857128
9.815409
9.226157
7.941816
6.330317
6.535768
6.450072
8.266533
6.897839
7.911542
9.036821
# Label of molecule (35)
0.120204
# Number of Instances of molecule (36)
3
10.403101
8.858121
9.043967
8.428739
12.057276
7.788305
9.981680
6.862968
7.687514
8.200834
6.653364
7.215329
7.327404
10.006097
12.867249
6.624010
8.466063
8.000279
9.524750
8.586417
9.793050
5.685457
7.311679
5.999901
7.872996
10.494125
8.910048
7.212492
9.599863
10.067386
7.011963
9.175726
6.225318
8.199744
7.837794
9.272774
7.792505
8.223914
6.899411
7.623798
7.301035
7.584368
8.296426
9.460158
6.265358
8.170202
8.431928
9.004334
6.383404
8.368206
6.129490
6.441145
8.540086
6.685049
8.742241
8.036409
6.989502
7.956084
8.127964
9.778161
5.857387
6.406354
8.479781
6.184423
8.593921
9.272774
7.053468
6.545396
5.853603
7.734153
8.587817
8.163366
6.245705
8.684500
7.471938
7.401135
8.397748
8.927427
8.337321
7.505509
7.509903
7.834010
6.997925
5.417554
8.901669
6.149022
5.571245
8.168615
6.424909
7.320444
# Label of molecule (36)
0.289707
# Number of Instances of molecule (37)
4
8.898829
9.206243
6.960609
10.759770
10.210960
6.951810
9.965207
8.462361
7.761234
8.003265
6.233743
6.679389
8.715594
8.591421
11.634287
6.675584
7.409002
7.674325
9.514747
7.551343
8.762961
7.858048
9.481632
6.801283
6.780990
10.850973
9.368829
8.839118
10.075160
7.736659
7.410337
5.931898
7.381527
7.294733
8.943342
6.413968
7.173635
8.003128
6.020890
9.061144
6.160421
8.869488
8.643895
6.168355
6.682653
5.376095
7.058763
6.890179
7.238578
8.383389
7.790597
6.055559
7.669256
8.549776
5.823740
5.164541
5.928968
7.621403
5.306757
6.437895
7.778710
7.420301
9.673177
6.326762
8.552782
9.272774
7.653706
9.504471
8.980041
6.975585
6.345439
8.568529
8.505295
5.854946
7.594012
9.632405
8.237220
8.654714
8.288858
6.838862
6.668325
6.289529
8.736625
6.219459
6.543443
7.778954
7.619037
7.420667
9.252266
6.233741
7.163472
7.819010
8.188772
6.413572
6.012925
8.298639
7.401883
8.702948
8.380062
8.702704
6.208121
8.417905
9.747536
6.106800
6.301508
7.771157
6.179556
7.063494
8.806589
9.157308
9.730323
8.291803
5.839091
6.449339
5.998520
7.549104
9.652318
9.162557
6.208853
9.555757
# Label of molecule (37)
0.201968
# Number of Instances of molecule (38)
3
10.768118
8.933136
8.860486
10.248537
9.518754
8.889199
9.132484
8.687719
9.634374
8.242201
6.648451
9.135088
8.268621
9.088298
10.240010
9.226647
8.667523
9.538793
9.030504
8.546385
8.703342
6.202008
8.040602
7.180932
8.338051
11.518525
7.689029
8.213628
7.874576
8.761601
6.879391
8.501022
9.876553
7.813868
7.321055
7.499893
8.754082
9.518876
10.000946
6.951415
8.567186
8.077425
7.650777
9.277413
8.133580
9.747154
9.095645
9.604205
9.257637
6.485214
7.819971
9.697348
6.901364
6.880734
6.713370
7.483047
6.224342
7.608783
7.870754
9.530229
6.293725
7.839427
8.802225
6.555818
8.538911
8.485199
6.374905
6.502472
6.762368
9.061144
6.354274
6.753945
9.601688
8.868877
8.063311
8.804666
8.346644
8.800760
8.464080
6.954390
7.442320
8.463225
7.767037
9.927870
6.172750
9.884899
8.906598
10.015885
8.397916
7.185842
# Label of molecule (38)
0.308171
# Number of Instances of molecule (39)
3
9.581861
7.180754
7.639189
8.171084
11.804313
7.630711
10.420463
8.946841
10.428976
7.418195
7.289535
8.976210
5.672501
9.012646
9.378327
7.755071
10.656264
9.172220
10.792612
10.974287
8.995137
5.597922
8.576341
7.438685
8.463176
8.390333
9.578402
7.252662
10.289252
8.374244
8.011414
8.941862
9.501328
6.967681
8.193182
8.754601
8.186468
6.011231
9.106052
6.096927
8.877529
9.035005
8.841884
9.709830
7.823908
6.913846
9.357524
9.777459
8.792444
7.170934
7.971374
6.411878
6.059328
9.534776
9.447981
6.004151
8.929044
7.552538
6.041749
9.317240
6.378033
8.696829
6.097262
6.391339
7.542619
9.272774
6.122898
6.680288
8.261635
8.530931
7.904447
8.167516
8.537889
8.123814
7.209601
6.848994
5.625568
8.299966
6.928587
6.364849
8.715384
7.825709
6.754997
6.493881
9.204901
6.773064
9.390210
8.705252
5.931486
8.051546
# Label of molecule (39)
0.242248
# Number of Instances of molecule (40)
3
9.190302
8.347759
8.489980
10.701618
9.834064
8.395509
10.036286
9.323471
8.806656
8.889580
6.245343
6.412393
6.050463
7.845592
9.193785
9.635028
9.316033
9.278386
10.740762
7.849913
8.215307
5.852446
9.086079
6.359724
8.075034
11.543510
9.629747
6.163296
9.499257
8.299383
8.916471
6.254524
8.676717
9.037202
8.352611
8.013123
8.048524
7.128452
8.707602
6.575945
8.877529
7.872250
5.863643
9.029389
8.057680
8.649373
7.104282
5.291726
6.618671
8.425001
5.909909
7.171789
8.097354
6.395520
5.622059
5.946165
7.961852
5.594958
7.848445
6.839015
8.004593
9.290765
7.833567
8.891583
6.756386
8.285485
9.011948
9.142689
7.011155
8.883282
6.187887
7.907544
5.969253
5.969619
8.032670
7.395444
7.884594
9.368770
8.849223
8.475188
6.297754
9.586673
7.880810
7.507630
6.138081
9.078722
6.673620
9.140858
9.565798
9.415525
# Label of molecule (40)
0.282694
# Number of Instances of molecule (41)
4
10.014245
7.082014
9.875493
8.897062
12.720531
8.155850
10.154651
8.991505
8.099597
8.228298
6.670813
10.014994
8.521897
8.795044
10.914841
6.952550
8.804166
9.443533
9.654893
10.793507
9.658762
6.053680
7.861027
8.065365
7.662378
9.290643
8.429675
9.035816
7.659493
9.944467
9.862850
8.561174
11.485214
9.044465
9.178503
10.804407
11.487777
8.598285
11.993774
9.698294
10.103092
10.747887
9.074129
8.124760
8.729881
8.594012
10.835292
8.089358
10.074038
9.204627
10.460402
11.905393
11.357280
8.589984
10.543291
11.430891
11.486923
8.421766
11.628407
8.236579
9.090793
7.644337
8.150822
7.987854
8.335154
9.114475
6.338633
7.659841
9.676504
8.848231
8.877529
7.417646
7.961608
8.160588
7.525925
8.238838
6.291879
7.486740
8.924162
6.657735
9.830317
8.502762
9.990112
8.178900
6.129887
7.300943
6.276131
9.432356
6.363170
9.495224
7.950316
8.257454
9.888852
8.545915
8.197760
7.396832
7.530869
8.460952
7.239601
8.270028
6.721030
7.981079
8.096805
8.844264
7.421735
8.929716
8.151128
9.702567
7.551134
9.776055
7.638173
9.103183
8.567156
9.487350
7.664785
8.091067
9.011261
7.121311
8.124638
8.541520
# Label of molecule (41)
0.227364
# Number of Instances of molecule (42)
3
8.588729
6.741132
7.354743
9.760022
10.057209
8.394725
9.122417
6.957347
9.079459
7.762869
7.772562
9.302020
9.164511
6.428557
9.260891
6.620666
9.510597
8.207825
8.013615
9.416599
10.731203
6.865444
7.238322
7.280169
8.915360
10.088979
9.448426
6.166203
7.237252
9.727856
6.891476
5.727866
7.417493
5.406079
6.633656
9.272774
7.630634
8.058870
7.622333
6.136692
7.575701
7.850612
7.785058
6.221290
5.672933
7.504166
9.157903
8.032136
5.668661
6.682730
6.818232
8.637867
9.361644
7.381237
5.873745
7.589129
7.070681
9.217353
9.378491
6.174535
5.959975
9.290765
8.325648
8.822977
8.604587
7.877880
5.312616
7.729926
8.038041
7.858226
6.138936
7.727729
5.496216
8.868145
8.976424
6.600497
8.319910
6.722816
8.912824
8.365566
7.824412
5.561769
9.115955
6.352565
8.226524
6.956221
8.738380
7.182058
5.497925
5.351558
# Label of molecule (42)
0.094826
# Number of Instances of molecule (43)
3
7.711607
7.068494
9.769257
8.000221
12.757505
7.536189
9.008120
8.961020
10.710897
7.140036
8.570561
8.853269
7.407607
7.958684
9.562869
8.948602
9.181113
8.826013
10.585441
7.579608
10.900026
8.365172
6.851178
8.016708
8.897894
10.697235
9.507398
6.788682
9.010642
9.199096
8.877590
10.843226
8.479995
11.562609
8.215339
9.424482
9.652272
10.331492
9.221351
8.897488
10.149236
9.805353
8.533464
9.843806
10.658773
9.089755
10.616657
11.440779
9.187780
11.632923
8.283822
11.499741
11.516953
10.025575
10.177923
9.247353
8.552873
10.731407
8.589618
8.723167
8.288522
7.972350
6.716330
8.491409
5.928465
8.092837
8.243721
7.619678
6.937529
5.550157
8.877529
6.782373
7.220130
7.583911
9.148412
7.545579
6.581683
6.119144
8.698569
9.251808
7.437422
8.242622
6.424696
5.757073
7.481857
8.420972
6.517716
9.099582
7.693777
8.335765
# Label of molecule (43)
0.192673
# Number of Instances of molecule (44)
4
8.512000
7.668438
8.725715
10.873841
10.801569
8.894513
11.251355
9.440537
9.490870
6.866598
8.108414
7.988353
6.900915
10.147729
10.772605
7.272242
8.915411
7.241761
9.968525
9.738358
10.313987
6.498279
9.699601
6.660267
8.128148
11.560486
8.181970
8.436068
8.965842
8.108304
8.819300
5.794549
5.650990
7.693655
6.298959
5.335551
6.553484
7.924009
6.593768
6.626972
8.877529
5.770623
5.165258
6.665548
8.266915
5.751457
8.840785
5.646107
7.508957
8.017762
7.163121
6.478164
5.146702
7.397992
7.485397
6.201788
9.022431
5.778802
7.680105
7.676443
6.559343
6.135136
6.326060
7.229041
8.577960
5.678701
8.112247
8.771203
5.944578
7.334635
8.877529
6.805200
7.685354
8.723594
7.882992
7.220862
6.781152
8.956877
7.466353
6.302744
5.956786
5.841304
5.592639
6.962310
6.211066
7.982482
8.333934
7.305704
7.965636
6.160161
9.183294
6.833613
8.351970
6.679312
7.459243
9.272774
8.664846
8.730033
9.145695
7.879421
7.091067
6.950804
5.801477
6.492050
8.227210
7.947172
9.030580
6.232398
7.180303
8.980773
6.707633
8.398358
6.055513
7.389660
8.946837
7.254036
9.374218
9.343333
9.686605
9.094180
# Label of molecule (44)
0.283838
# Number of Instances of molecule (45)
4
8.003557
5.513007
5.881903
6.821944
11.188543
7.706052
9.210180
7.111420
8.400221
7.680815
7.450662
9.269584
8.072790
6.971072
11.809833
9.278220
10.093141
10.389900
8.619380
10.091036
8.556453
5.450653
8.401524
6.255328
8.717919
10.835791
8.883086
7.390610
6.957336
7.333706
9.263161
7.804498
6.252327
7.971496
8.859462
7.039094
9.097629
6.478774
8.814295
6.383435
8.877529
9.640248
6.181890
6.261971
7.660207
7.711600
7.386761
6.976470
7.193152
6.774071
6.489639
9.069185
8.698691
9.578112
7.353923
6.615375
6.003784
6.003052
6.084109
6.320322
7.540941
6.723655
6.906278
5.391583
7.742851
5.821650
8.131291
8.618732
7.938658
7.392132
8.877529
7.089511
8.181463
6.351085
5.959471
7.088656
6.187384
7.426069
8.633869
7.753838
5.289529
5.455794
7.580370
7.356731
5.291482
5.620960
8.220527
6.200201
8.593463
8.478225
7.722221
6.429456
8.989593
7.443892
8.110050
5.971801
7.978210
7.076205
8.820643
6.925321
8.877529
8.039735
6.499527
8.416944
6.592425
5.116794
5.248268
8.818079
6.731712
6.470595
6.266243
5.983032
7.776788
5.362407
7.390545
8.416578
6.587298
7.487838
8.911100
6.245125
# Label of molecule (45)
0.054703
# Number of Instances of molecule (46)
4
6.569462
7.560602
6.013877
8.856994
10.660257
7.399111
10.255983
5.696177
7.135398
6.405837
6.552231
8.484736
6.617354
8.786204
8.014928
7.424697
9.594031
7.897674
7.790923
10.154834
10.549196
7.056192
10.228259
8.161365
8.750605
10.362384
9.670137
8.455686
9.950337
10.376763
7.166784
5.987060
6.004028
7.558397
6.278207
8.843593
7.940611
7.807306
9.406842
8.797205
8.877529
8.728843
9.256935
6.965484
5.999145
8.476272
7.144932
8.192938
9.424909
5.761956
9.112522
5.595202
8.802454
8.772912
6.967803
6.439955
5.518174
8.358348
9.134495
6.737571
7.816111
7.558412
8.426725
7.655705
5.520997
6.612461
8.481048
6.772134
6.410184
9.061144
6.617222
6.843669
8.555147
8.143635
5.923963
5.690558
6.572787
7.588076
5.451903
5.672491
7.676092
7.342952
8.245079
7.291192
7.653996
5.645268
5.988296
6.066912
7.655828
8.799295
7.064577
6.449446
5.887539
5.846156
6.881344
9.272774
8.182531
7.791406
8.625904
8.590747
6.139134
8.261391
9.455153
9.108463
9.218940
7.837062
6.505478
6.280984
9.372387
9.118961
8.880306
9.233589
6.508530
7.017701
8.567309
7.016236
5.579913
9.318186
7.161138
5.570757
# Label of molecule (46)
0.144122
# Number of Instances of molecule (47)
5
7.094286
7.037727
7.918762
8.346020
10.352682
5.620574
7.921794
8.651715
9.151819
6.043274
7.468450
9.225826
8.254119
6.019461
10.751452
7.211821
9.562427
7.238867
7.675610
10.404950
7.832042
6.747993
7.404731
8.120295
7.001618
11.011047
9.831371
7.461919
8.793357
9.760665
7.541810
9.290765
5.576174
6.665075
6.805948
6.873333
6.750282
7.341365
8.173544
5.771126
8.450041
5.645390
9.311518
5.597293
6.058489
7.408383
7.661077
8.009354
8.439421
7.670476
5.731697
9.052355
5.602542
7.473815
5.731208
9.119495
8.643040
8.459441
8.907575
8.404874
9.676717
6.424421
9.408765
9.451735
7.706320
9.272774
6.826777
7.173345
9.847621
9.010193
6.701407
6.736564
7.264534
9.028748
8.457686
8.148106
7.656880
7.792505
6.981445
6.494736
9.741783
8.617603
8.972839
7.673971
10.071505
10.071261
8.572069
8.927915
9.562456
8.860530
8.617359
8.598193
7.539323
6.701407
9.171697
9.272774
8.850032
6.500473
9.648640
7.908109
6.835566
8.649953
6.052950
8.144444
8.056429
8.550707
9.186712
9.220649
6.014374
6.055147
8.318155
9.193182
6.193457
8.134556
6.188330
7.771142
9.373730
7.351085
8.726005
8.644337
7.110721
7.437635
9.394360
6.125706
5.995575
7.608051
7.168340
9.518876
7.166997
6.059297
6.872555
7.815821
6.813959
7.147954
9.296701
9.030946
7.684469
6.856807
7.152226
6.500595
7.942289
9.451369
6.800653
8.488815
8.360149
6.751335
7.255379
6.596423
9.223090
7.897732
# Label of molecule (47)
0.130909
# Number of Instances of molecule (48)
3
6.802812
5.403586
6.222591
6.957427
11.767790
7.190514
8.494523
6.704364
9.805508
8.023257
7.597294
8.405186
7.912964
7.532088
7.946728
7.302560
10.759005
7.302633
7.265636
9.562424
8.322528
6.956826
8.263661
6.302569
8.772872
9.767039
8.614434
9.136708
8.743714
9.694007
7.866878
8.734092
7.595630
6.644795
6.476089
6.834376
6.663472
5.468856
8.750206
5.486923
8.877529
8.554399
5.884884
7.220862
7.133946
9.072359
7.257363
8.948698
7.893979
6.008423
7.956481
9.068453
6.663228
7.730766
8.930754
5.840693
8.276681
7.267861
5.628895
5.413556
6.951811
7.815363
6.307993
5.800897
8.722617
5.622425
8.425489
9.177221
6.722190
6.848170
8.877529
5.551988
6.269539
5.532579
8.829798
6.574480
5.391461
7.578906
6.383801
7.156652
7.792169
6.544084
6.994049
9.229469
7.437422
5.703360
5.690664
8.209174
8.633015
8.762169
# Label of molecule (48)
0.082117
# Number of Instances of molecule (49)
5
7.926346
7.702975
6.208960
8.958606
11.720925
7.194580
9.880077
6.063453
7.972854
6.084946
7.312123
9.138311
7.934667
6.602371
9.200593
7.422323
10.318620
9.300087
7.963259
8.269388
7.894695
7.835347
8.728366
7.172840
8.023146
9.339897
8.426130
8.919043
9.546918
8.858296
6.077456
6.389843
9.888852
6.659871
6.994354
7.452864
9.804743
6.036195
9.924619
6.112125
7.633900
6.234443
9.210120
7.728141
6.511185
6.487991
6.517411
7.839473
8.232917
6.137028
8.003052
8.454726
9.387738
6.088443
9.751885
8.150395
6.198065
7.768914
9.865169
8.847560
7.464904
8.036332
8.761574
9.674444
7.628605
7.963942
8.258751
6.420682
7.033494
9.061144
7.346492
8.075884
8.813578
8.613865
6.167745
6.430204
9.407346
7.957106
9.476928
7.844920
8.411466
7.705023
6.956954
7.150563
9.706549
7.785348
9.249260
6.036882
8.232383
7.153859
6.445936
7.722831
6.432264
6.053835
8.880337
7.422163
9.447981
9.103488
6.070925
6.159185
8.877529
9.116062
9.037202
6.364269
6.716453
6.406873
5.583728
7.887753
9.020600
5.827265
6.841090
6.167608
6.411267
7.100253
8.079287
6.201788
9.292093
6.647603
6.170537
7.199744
8.500381
9.214148
9.748344
8.586566
9.151036
10.076724
9.015900
9.732231
9.110141
9.890194
9.417646
9.611866
10.376415
9.447676
11.644887
9.034455
8.714011
11.833857
9.398358
10.810144
8.881130
11.529405
10.081851
10.522904
9.131138
10.320872
9.204993
9.795709
9.362346
10.890469
# Label of molecule (49)
0.100553
# Number of Instances of molecule (50)
5
9.091595
7.909314
7.618767
9.114908
8.954199
5.474314
9.217976
6.769549
8.611184
7.232236
6.946953
6.431324
8.096194
7.946838
9.327390
9.451823
10.362865
10.198268
9.877585
8.888102
9.182744
7.226548
7.066159
8.004366
6.088771
8.661586
7.003059
8.031151
7.790370
10.526137
9.579913
6.112156
7.173711
8.765191
8.880917
9.272774
9.327708
5.897061
8.093661
5.696860
5.907682
6.791620
8.393719
7.999298
6.616810
8.913633
9.490188
8.202795
8.589038
6.557848
8.605518
6.805902
8.036531
6.725089
8.260170
9.562212
8.390545
6.647450
7.737083
9.344432
7.639576
9.009491
7.460372
8.067324
7.184484
7.404706
8.245308
8.947478
7.189123
7.972961
8.877529
10.014039
6.848048
8.556230
7.460250
6.472915
7.260903
7.853816
9.492416
8.528275
9.349223
6.677511
7.953551
8.944792
7.578173
7.918394
6.882107
7.262123
6.359752
8.598468
7.803873
7.179708
8.293878
8.235160
6.921766
8.730903
6.939955
8.533631
8.092090
8.260918
7.571566
8.573428
9.747536
9.683081
8.660588
9.895367
7.096698
8.716742
7.539583
8.705634
8.979080
6.330805
8.924512
7.127583
9.523652
7.897504
7.929365
8.101978
9.489715
9.431730
7.715354
5.847499
7.339854
9.048036
8.219642
9.272774
7.937040
6.106906
9.163762
6.129246
7.124393
8.343059
9.437696
7.245003
7.711814
8.225379
7.077639
7.703635
6.334086
6.056612
7.059450
8.474776
6.412091
8.912412
6.895138
6.755242
8.604663
8.227699
6.909665
8.396893
# Label of molecule (50)
0.182223
# Number of Instances of molecule (51)
5
9.739742
7.902918
6.358099
9.413488
10.755794
6.699370
8.788853
8.511402
7.118227
5.815742
7.968299
6.230017
8.034384
7.132038
10.444246
9.347273
7.511168
6.884647
10.509447
10.462518
7.614101
8.109686
9.573467
5.793335
6.102458
11.194074
6.717972
7.850749
8.498031
10.356662
6.334208
5.993866
7.485488
6.264382
6.849361
8.199866
6.779534
9.518876
9.640217
8.605884
6.764641
6.832881
5.895474
6.603626
7.548357
8.055086
8.458052
7.839137
7.907254
7.090213
9.830287
6.049165
7.601947
7.371715
6.890011
8.388104
6.338481
6.013153
9.694052
6.123020
11.878780
8.710471
8.945097
10.041810
11.203589
10.292673
11.057588
10.301218
11.696036
8.580340
9.439375
8.005737
9.990783
11.208960
8.907498
9.988098
9.325968
9.533128
10.616779
10.945769
9.736015
8.900662
10.060610
8.850734
11.955321
9.417035
10.721397
10.039491
8.407727
11.077731
6.302347
8.786920
7.650166
6.370586
6.342387
9.272774
8.610645
7.180792
9.088687
6.436140
6.299417
5.835292
9.465407
8.124912
6.837397
6.869625
7.449599
6.871700
7.850368
5.992767
6.451643
6.603748
8.158971
7.434462
8.405805
6.846309
8.115268
5.972015
6.947630
6.291726
5.489120
9.048677
9.039399
7.537278
8.947233
6.824732
8.549150
8.678549
8.046083
8.467238
8.877529
8.826868
8.843837
6.005249
6.042116
6.939360
6.400403
8.617756
8.234443
7.955504
7.345378
5.780511
5.195044
6.081057
8.156804
6.907376
7.240394
7.753471
6.525651
7.356487
# Label of molecule (51)
0.171774
# Number of Instances of molecule (52)
3
6.771499
8.234960
8.973239
9.600101
9.890296
5.496287
7.408270
7.442166
9.637419
6.338893
5.204492
8.194465
6.648759
6.783895
9.225393
9.558207
8.355852
8.515973
8.339204
10.532661
9.018471
8.201934
10.383382
7.511014
6.621342
9.106540
6.786612
8.491704
7.496144
8.770843
8.177282
8.871883
7.277230
9.524735
9.131169
9.272774
7.358287
7.813379
8.979308
8.564867
6.063082
7.658589
8.020295
8.341472
9.348582
9.316965
7.131474
8.205603
9.270211
9.388256
7.792261
6.520615
7.143071
9.468947
6.599353
8.811213
6.380718
7.892483
6.148778
8.185705
5.254006
7.251747
5.982299
8.918424
7.814264
7.338054
7.141026
7.138096
8.607990
5.798090
8.877529
8.203436
8.021302
7.903745
5.725944
6.484878
5.984130
6.104251
7.629078
5.333110
6.430921
8.465407
5.034150
8.919767
7.252724
5.755974
6.670919
8.164617
5.617786
5.560289
# Label of molecule (52)
0.116878
# Number of Instances of molecule (53)
4
7.438198
8.146667
8.009740
6.859267
10.788804
5.787644
7.301610
7.616056
6.664090
7.776653
6.933871
6.549150
8.658885
9.297575
10.399630
9.966697
8.717744
9.066945
9.409092
10.307234
8.083469
7.929615
8.502542
6.406560
9.155498
9.345874
8.996304
8.543500
9.069311
9.813807
9.209540
5.571245
6.397076
7.741356
9.505570
9.272774
8.885189
9.158147
5.783044
8.500412
7.267586
8.354778
8.452193
9.101138
7.174566
5.772668
5.936125
9.446120
8.989074
7.161870
8.485763
9.404614
6.063936
8.409467
8.641163
5.994476
7.023927
5.733482
6.718131
8.589526
8.427580
9.290765
7.606632
7.617618
6.591586
8.925886
7.525697
7.930616
8.362392
8.582247
8.599216
9.257195
9.609622
8.840434
9.602054
9.497192
9.884411
6.614780
9.199698
9.761727
7.920362
10.063128
7.350887
6.638829
8.784158
7.175710
9.798349
8.825175
7.047777
8.920148
7.770806
9.222877
8.418653
7.229774
9.207739
6.212531
6.695822
8.308176
8.757286
6.731956
8.877529
9.069063
8.342723
6.814600
9.227760
8.339915
8.736778
6.136357
8.537431
9.561876
8.749840
8.862514
6.715476
8.492264
7.068270
9.174657
9.466170
8.274972
7.114780
6.352062
# Label of molecule (53)
0.206820
# Number of Instances of molecule (54)
5
7.668760
6.561276
8.079917
7.027434
9.233341
7.252851
9.337854
5.950119
9.521592
7.067929
7.051704
7.473650
8.774603
7.169350
7.957912
9.986873
10.383781
7.493710
9.024410
8.045230
9.636944
7.609777
9.388138
8.144472
6.833185
11.487562
9.432528
8.829880
8.086137
9.254895
6.088763
9.290765
6.618809
8.189901
8.987411
7.253227
7.272393
7.841136
6.473663
6.090960
6.253197
6.071062
7.643376
6.077288
6.649937
8.376431
6.351466
7.785958
9.469726
8.503021
9.934584
7.056932
8.215415
7.657781
6.612827
6.048967
8.831156
6.745643
8.446745
7.752754
9.019105
7.636494
8.189123
8.701102
6.940672
8.019929
6.871212
9.518876
6.499741
8.999207
7.356334
8.398724
6.400739
9.368114
8.066927
6.340068
7.916532
7.357311
9.245796
7.946684
9.547563
6.787957
6.972289
7.326914
7.361461
10.312113
7.543474
10.017060
9.887051
7.111942
6.201666
8.202460
7.128697
9.078829
9.504868
6.121220
8.146062
9.036225
7.508347
8.847011
8.877529
9.013642
9.245094
8.037416
6.547990
7.606861
7.624073
7.423750
7.605640
7.871639
8.028626
8.152287
9.174047
9.911252
9.592273
8.211493
7.872494
6.487075
8.031068
7.319864
6.825236
6.571444
6.024430
9.335688
6.102313
6.687170
6.292749
8.827616
6.906781
9.061144
8.372158
7.522034
9.318110
8.558687
7.758492
7.705023
6.100238
6.255516
8.073565
6.477935
9.237907
9.967055
9.954482
7.032762
8.149739
7.861400
6.311060
7.950026
8.457732
6.537385
# Label of molecule (54)
0.152559
# Number of Instances of molecule (55)
4
9.129557
6.470270
6.519355
9.804944
8.385553
7.213455
8.034780
6.944522
6.657157
6.338702
7.243324
7.837989
7.293964
7.249216
10.184696
9.972415
10.333330
9.346047
7.662044
8.112489
7.769973
7.184993
8.683556
7.456489
5.906242
9.256692
6.625055
7.043819
7.159210
8.592934
6.107196
7.588687
7.594180
7.645940
8.788919
5.544191
7.027390
9.058824
7.351863
9.061144
6.702063
6.272485
6.108295
8.583834
6.565706
8.418424
8.354335
6.987716
6.592441
7.839549
7.273492
7.342708
7.432554
8.180868
7.926832
9.046983
7.086108
7.032640
7.702948
8.200278
9.731193
9.222144
7.912290
8.228828
9.875484
8.832606
6.595965
9.417829
7.573046
7.157750
8.877529
10.228523
9.375103
7.319864
8.675863
8.303415
7.453291
10.273812
6.791894
9.743645
9.691397
10.009400
10.246101
10.135014
7.861629
8.121403
6.638447
9.129978
7.264077
7.621998
6.849254
7.518464
7.519684
8.895825
7.305322
8.137379
7.536164
6.154653
7.226707
7.809854
6.731574
8.338557
9.747536
9.804666
7.089862
9.820170
7.758950
8.124805
9.832865
6.176626
9.188314
6.148793
9.444182
8.153981
7.363430
9.637669
9.718482
8.185598
7.838786
9.983383
# Label of molecule (55)
0.261635
# Number of Instances of molecule (56)
4
8.588756
5.801145
6.963947
8.099972
10.670858
5.903606
8.750889
5.722861
8.944588
7.626078
7.173114
7.994296
8.789606
9.059415
8.881595
8.692352
10.503876
7.870409
10.572104
10.548005
9.946240
5.546652
8.097805
8.662608
7.086601
10.584263
8.863321
6.432550
9.108717
8.672877
5.928068
6.632679
8.653371
8.694632
7.061403
7.249641
8.871273
9.518876
8.482955
5.881191
8.067660
8.684378
8.159825
6.923093
6.732170
8.052400
7.099124
7.219611
6.550890
7.669088
6.862056
7.463027
6.245827
8.504440
7.447279
7.617206
7.968657
9.653157
9.414624
8.739555
5.842174
9.290765
8.216880
9.040757
5.700201
8.018998
9.292352
7.137745
6.242088
5.516602
5.596805
6.322779
7.987625
8.525971
7.006516
8.708350
5.898206
9.093005
7.839915
6.414701
6.330226
6.654820
7.635075
6.499054
7.354183
9.150990
9.481201
9.342036
6.316675
7.531800
9.141545
8.663259
7.930326
9.624226
9.515336
9.272774
10.094943
9.270821
9.153996
8.631031
8.221351
6.336283
6.598621
9.920621
9.791101
7.027467
9.734581
7.983062
9.473830
8.883724
8.181310
10.094333
6.842769
7.892239
8.049959
6.762688
8.642994
10.063570
8.943175
6.925901
# Label of molecule (56)
0.243975
# Number of Instances of molecule (57)
3
6.591017
7.894195
7.723982
9.805375
9.322132
6.712921
7.599556
6.037261
8.216241
7.791911
7.150150
9.236171
5.915041
8.258491
10.612498
7.661310
9.938110
7.894558
7.303805
9.089880
8.910083
8.194047
9.646602
6.957674
6.472520
9.125787
9.940507
6.531054
7.912221
9.324557
8.097964
6.494278
5.518052
9.454085
7.466964
5.468123
8.281564
6.653218
6.217536
6.317148
8.877529
6.826075
6.693625
8.389233
9.233009
8.611408
8.109561
6.212897
5.755974
7.561571
8.699545
9.087619
8.826014
7.775811
7.891293
7.226356
8.743980
5.773919
6.878079
7.330729
10.508377
9.013215
8.411267
11.793451
9.599536
9.676443
11.335673
10.174993
10.225532
8.894803
9.675344
11.595569
9.451704
8.277841
8.983184
8.523576
8.069094
9.861873
11.117161
11.181494
11.432234
8.636982
11.918210
9.615162
9.319010
10.629109
8.348033
11.006561
9.190832
11.410138
# Label of molecule (57)
0.049887
# Number of Instances of molecule (58)
3
6.494825
5.636771
8.536524
6.932725
9.373214
8.359428
9.241590
7.357879
6.641799
6.496048
6.295201
6.308016
5.879135
6.771560
11.818586
7.031421
7.390844
7.751779
8.881736
8.758199
7.496380
6.499337
7.909378
6.152550
8.773791
10.502134
9.154423
9.021596
10.021444
9.904148
8.006912
8.106403
9.560427
6.475372
6.539338
8.042314
6.907880
9.070055
7.184622
9.061144
7.137989
7.719306
8.731300
7.498352
7.284967
9.149525
7.387020
8.143147
6.316675
8.235679
7.180837
6.290918
8.079546
7.237968
9.919080
9.256829
9.485473
6.435575
7.571596
6.723914
9.963500
9.304544
7.016877
9.224219
6.644673
8.684652
8.866909
8.255928
7.816218
6.732566
8.877529
9.421979
7.184240
6.940580
6.819239
7.806818
7.620411
7.579150
7.736015
8.686728
8.501053
9.936644
7.327311
8.453444
7.600757
9.020112
9.573229
9.935667
8.416944
8.091739
# Label of molecule (58)
0.171153
# Number of Instances of molecule (59)
3
7.946828
7.197545
8.141613
7.728688
10.354971
8.098465
7.236982
6.173734
6.613749
6.195375
5.618131
7.590648
6.017557
7.904284
9.444826
9.288147
9.052629
7.682894
8.794475
9.964478
9.915905
8.057646
6.857595
6.105410
8.758470
9.478093
9.377208
8.284938
8.301770
10.956354
6.993942
7.500671
7.459410
6.682409
8.624241
6.190817
6.129902
9.203970
5.343623
9.061144
7.549379
9.115833
6.489898
6.259911
6.299829
5.773324
5.327021
6.389676
7.741035
6.904218
7.660588
6.762612
8.309046
6.376247
8.913068
5.901013
8.212973
5.397214
9.035630
8.154012
8.591876
8.267037
5.661489
7.775811
7.621632
6.013916
7.877621
8.589801
6.077273
6.181768
8.877529
8.192816
7.984680
6.561907
6.382458
7.760430
8.120426
5.238380
7.434980
8.023499
6.813990
5.283181
6.383679
6.975005
8.211615
8.692953
6.268563
8.005921
7.374310
5.443342
# Label of molecule (59)
0.093342