# 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
10.698080
11.033662
10.327586
9.556932
9.422529
8.800928
11.307718
9.663625
9.854060
11.916746
8.505753
8.850490
11.833857
10.949919
8.494964
9.290765
5.575686
6.738319
8.491180
6.435331
7.821604
5.636967
9.287591
6.739906
5.700812
7.230888
9.123524
7.752388
5.938734
7.742500
6.471587
7.446837
6.410306
7.371273
7.087695
8.955428
7.171194
6.896283
6.991256
5.635990
6.105731
7.552797
8.249718
5.851695
6.703238
7.095218
6.643910
6.915403
6.942137
9.272774
5.870571
8.328532
7.318369
8.429121
8.654347
9.475173
6.657094
9.077944
9.592853
8.838557
7.449965
8.420331
8.961486
6.358989
6.843501
6.265236
9.180731
8.724784
6.555895
6.283792
6.902341
8.935240
6.599719
7.976348
9.652913
6.693716
7.416028
8.714652
9.137272
9.272774
9.605914
7.275155
7.422376
6.202124
7.524308
6.644887
9.637776
8.304849
8.110508
6.661122
7.513077
8.853450
6.008759
7.599139
6.303934
6.676504
9.473586
8.149693
9.646321
7.602680
8.892392
8.670339
7.216437
7.613178
8.293405
7.305216
6.489883
9.034639
8.760460
7.701102
8.734825
6.297739
9.767815
8.121769
8.877529
8.232612
8.467971
9.043184
6.668111
7.124912
7.047761
8.652547
7.088168
8.178045
7.590258
7.142857
7.694632
8.179266
7.868221
8.343089
7.579882
6.438124
6.940336
6.059450
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
5
10.467340
9.063574
9.591819
10.649999
12.405535
9.010134
11.457415
9.211172
10.532509
8.780160
8.673069
9.687305
9.222150
9.610336
12.243612
10.495387
8.968506
9.884221
8.543041
8.455706
10.238967
8.059378
7.453746
8.453108
7.807625
10.269854
7.005100
8.987861
9.381368
10.417081
7.689016
7.680715
7.077303
7.772027
6.152104
7.747856
8.098209
8.601276
7.897153
7.046175
8.877529
8.033631
6.737327
8.352367
7.878231
8.825404
9.220557
9.229713
5.942015
8.872036
9.299173
8.246162
6.330210
6.875027
6.334727
6.810327
9.037568
7.814997
5.815058
6.498428
8.857143
8.451369
8.555376
6.985870
9.664663
6.504532
6.474990
7.883724
8.836512
6.452773
8.877529
10.032105
7.870418
9.289041
7.954527
10.300302
8.760338
6.820460
7.257607
9.567980
9.853877
9.324198
6.425672
9.329447
8.044618
7.819391
7.186804
7.103793
6.676290
6.833399
5.366085
8.367275
7.600772
6.815104
6.120869
5.935926
7.661931
6.532258
7.625309
9.061144
6.716956
5.942274
6.405057
5.421384
5.780770
5.246452
8.744118
9.036851
7.708319
9.027207
7.728828
5.361202
6.609897
5.790048
5.628788
5.994400
5.540407
5.312006
8.987655
8.883282
6.423963
6.515397
6.101077
8.432325
8.775719
6.237922
6.468276
6.204108
6.315073
5.926756
8.877529
9.656117
5.939817
8.414624
6.260384
7.539964
7.067171
5.902585
9.369488
8.859706
7.866390
6.491348
8.879971
9.351665
7.826472
9.328837
8.767418
6.768334
6.034669
8.250191
# Label of molecule (1)
0.888022
# Number of Instances of molecule (2)
5
10.358964
8.990879
9.608704
10.576411
12.288270
9.133169
11.217777
9.358395
10.423062
8.773372
8.751421
9.999668
9.475718
10.005590
12.521563
10.380687
9.669650
7.953094
7.571680
8.529657
8.549453
7.050132
10.332485
8.381487
6.052816
9.678454
9.275268
7.262107
9.867231
10.085177
5.628788
9.290765
8.495331
8.973739
8.012284
6.450468
8.019486
8.878277
6.425810
8.360195
6.833171
5.677129
7.416318
9.066271
6.445463
7.586367
7.454161
8.896588
6.859905
5.971694
6.338404
5.938246
6.929121
6.292261
7.220634
8.789529
7.515198
8.754372
7.119190
8.958846
7.803537
9.290765
7.322199
7.562197
6.912763
6.780923
5.512940
9.390622
7.205985
6.180685
6.115253
7.612613
7.790475
6.734413
6.845012
6.109027
7.224052
6.448393
6.283593
8.359706
6.358425
6.256249
7.170339
8.574679
8.800027
6.458037
5.499390
7.534608
6.861736
5.807260
6.668233
7.406781
8.738853
6.478896
5.579333
7.079379
6.768822
7.121128
8.576495
5.358135
8.877529
6.052858
7.795709
5.779412
6.205939
7.663259
7.851497
8.621662
8.632527
5.890011
6.116703
7.758599
7.001373
7.537523
5.621326
6.785913
8.158635
7.305582
8.441969
8.795984
8.574190
9.290765
8.182211
9.743049
9.472655
7.919507
9.708625
8.886090
8.856914
8.138386
7.275445
7.360775
8.361293
8.868877
6.668371
6.908734
6.625034
9.255730
9.781014
10.269311
9.011338
10.206565
7.781442
8.684790
8.942366
10.206198
10.085833
8.117634
8.726539
9.779550
# Label of molecule (2)
0.892066
# Number of Instances of molecule (3)
4
10.466355
8.906932
9.579441
10.640145
12.390901
9.132841
11.538738
9.214817
10.255630
8.471691
8.443684
9.621333
9.320266
9.686452
12.615067
10.820088
10.820948
10.398803
8.930252
7.337683
9.942273
5.736920
9.933060
7.823899
6.583038
11.276800
7.296524
7.680312
9.771578
7.859924
7.417493
5.844691
8.837580
8.728324
7.967559
9.272774
9.230171
7.375011
5.936491
6.549669
7.478530
8.837947
8.298624
8.406293
6.560045
7.712790
5.711142
6.922605
5.848109
7.748924
7.431288
6.571642
8.993225
8.059359
8.503830
9.065615
8.513596
6.823481
7.599628
6.882687
8.737739
7.211570
9.479705
6.285394
8.096606
8.013596
8.214896
7.526032
7.219626
8.011155
7.787759
9.881085
9.747536
8.235527
7.058855
9.877667
6.985000
6.938612
9.234703
9.661473
9.504364
9.573458
9.935041
7.643834
10.021226
7.578280
8.971755
9.642918
7.919721
8.841868
6.762612
7.682928
6.874798
8.240440
5.391720
7.453429
6.827189
5.195914
7.417173
9.061144
8.745216
8.530976
8.240196
9.056505
8.217246
8.672582
8.406583
8.581759
6.625767
5.631474
5.897351
6.288965
7.404233
8.086627
6.692785
7.061815
7.001755
7.962966
7.984329
5.416990
# Label of molecule (3)
0.838088
# Number of Instances of molecule (4)
3
10.412751
9.011953
9.485847
10.723557
12.597963
8.934325
11.575284
9.071840
10.308233
8.777382
8.666490
9.834127
9.185172
9.550168
12.353702
10.572062
10.713610
7.935845
8.524991
10.637299
10.617332
6.830622
8.389906
8.230760
6.972610
7.989730
7.994740
6.282976
7.832968
8.183049
8.261025
9.075625
6.760857
5.850185
6.689932
9.272774
7.946684
7.613178
7.124027
7.131352
5.942106
7.101810
8.808527
6.225684
6.881344
9.125187
8.822687
7.322764
8.911069
8.763237
8.872860
9.013245
6.150975
9.306223
7.888821
9.052797
6.146702
6.841792
7.301157
7.789087
6.113422
9.290765
8.118610
8.532441
7.200980
8.109210
9.538575
8.474334
7.320002
8.657079
8.433561
7.177175
8.891339
9.766854
8.743995
8.472259
6.040910
9.413205
8.887921
9.129749
6.330103
9.531495
6.158712
8.485687
9.290399
8.545991
9.615482
7.716132
8.636937
6.984787
# Label of molecule (4)
0.823472
# Number of Instances of molecule (5)
3
10.393574
9.027916
9.618000
10.741653
12.188053
9.224888
11.553523
8.918600
10.460779
8.687781
8.548175
9.805898
9.450679
9.732207
12.435937
10.783343
9.574035
8.037114
9.083504
8.115604
9.550724
6.631601
7.021459
7.247394
6.716845
9.458009
7.372254
6.832589
9.665907
8.217591
6.744499
9.030457
8.370647
6.314432
9.788659
7.453383
9.649861
9.518876
6.886715
8.332438
8.653371
6.870357
5.919645
7.127201
9.037904
8.744438
6.309427
9.204413
9.235542
7.069216
8.211219
7.110843
7.454482
9.734703
7.417859
8.338664
6.329691
8.682669
9.349925
7.457533
9.206977
6.190893
8.859554
8.445235
9.448683
9.101505
6.640980
9.518876
9.501785
6.283914
5.574541
8.732353
7.036500
6.910520
6.120701
7.664327
5.713950
7.025513
6.682608
8.754204
8.565111
7.255501
8.295694
7.649678
8.082919
8.012238
5.964568
6.233497
6.399152
8.062532
# Label of molecule (5)
0.801531
# Number of Instances of molecule (6)
4
10.607353
9.065563
9.490900
10.502279
12.129632
9.082749
11.449619
9.465148
10.189839
8.881505
8.650989
9.872596
9.244707
9.657256
12.495610
10.251478
9.560818
7.195911
10.531291
8.406791
9.428920
6.688643
7.207452
7.831992
9.143547
8.541680
7.946295
8.006758
9.384780
10.929206
7.663518
5.785531
6.901654
9.429563
5.818369
6.598056
9.538575
8.486175
9.277337
9.061144
8.342128
9.589236
6.543733
9.023179
9.452879
7.908643
9.423338
7.111744
8.989608
7.758248
7.608463
8.797220
9.271355
7.062304
6.756630
9.105213
5.719367
5.907117
7.934889
6.352321
8.496307
7.470153
7.670110
6.481841
9.126820
8.155110
8.469695
6.680944
9.777352
9.061144
6.969771
7.444151
8.570528
8.621311
6.670324
7.211600
6.395535
9.715949
6.857585
8.704199
5.931166
7.423521
8.764382
6.577059
9.160756
8.420743
7.409604
6.159810
7.254326
6.405789
7.021363
8.248085
8.041169
8.510788
9.842128
9.272774
6.236671
8.342082
7.865871
8.969665
7.680563
9.745323
8.802911
8.950621
9.950163
8.774590
10.094943
8.442305
7.718406
6.401471
6.375347
7.725120
8.850764
7.356456
6.422346
6.220435
7.182257
9.055605
9.478225
7.602191
# Label of molecule (6)
0.822586
# Number of Instances of molecule (7)
5
10.656595
9.096833
9.545653
10.582333
12.423494
8.670773
11.234467
9.127652
10.226891
8.521675
8.339854
10.138663
9.515579
10.097285
12.383091
10.568527
8.601442
6.913915
8.322533
10.878417
7.773240
7.510122
6.827279
7.920101
7.668405
8.107843
7.810734
7.046310
9.004808
8.062903
6.872188
7.270150
7.255501
7.766625
6.665029
8.895077
6.007294
9.518876
8.675710
7.904447
6.817621
8.032258
6.653554
8.187902
7.999664
8.259804
6.799921
7.847316
6.557848
9.650838
6.579821
7.169683
7.403577
9.978973
6.186010
7.278573
8.657521
6.536729
9.024110
8.340617
8.835170
5.440046
7.572314
8.084658
8.400464
7.567186
6.706442
7.410932
8.777306
7.167272
8.877529
8.075625
8.675253
8.364086
9.044282
5.990356
8.922819
5.302469
5.992798
5.465682
6.968413
8.058046
6.740989
6.476211
7.031037
6.226814
6.027223
8.292673
6.272591
7.069002
8.096835
7.808863
6.040010
5.999481
6.589221
6.608753
6.233497
9.518876
7.367931
5.983978
7.932768
6.389386
6.695914
7.011109
9.085513
6.950316
6.123142
8.096469
6.103488
7.341929
6.675283
8.823298
9.454787
8.208533
9.690634
6.478500
9.339183
8.767876
8.681814
6.134739
6.297388
6.863933
7.540590
7.397397
6.543367
6.741859
7.017502
6.338160
8.181356
9.061144
8.709204
7.828562
9.621464
8.569918
7.896069
8.103839
7.228813
8.154622
6.459624
6.102924
9.199698
8.624851
7.661321
9.608768
7.086108
6.177633
8.006546
7.754585
9.344966
6.416410
# Label of molecule (7)
0.814199
# Number of Instances of molecule (8)
5
10.660474
9.127476
9.591582
10.850029
12.060520
9.092819
11.220617
8.978116
10.352426
8.540025
8.666440
9.560564
9.355252
8.034357
12.507829
9.622108
8.694989
8.508517
10.423221
10.506473
9.648262
6.009432
7.543368
8.515624
8.790032
8.716099
8.994371
6.133610
6.863223
9.665588
9.591510
8.277139
7.793970
9.102847
7.778466
9.180364
7.700339
9.518876
7.429701
7.436903
7.109500
9.916715
8.792779
8.024323
8.455855
6.572863
8.371014
7.294198
9.181463
8.806330
8.582690
10.126682
6.752190
7.877590
9.101138
10.169164
8.039460
9.912809
8.747978
8.538133
7.960280
7.498352
7.285821
7.552797
5.846812
7.638127
7.955031
8.731544
5.854747
9.061144
7.382138
6.318628
8.059526
9.108631
8.303797
5.687384
6.100482
9.133168
7.867016
6.108295
6.779092
6.839518
6.082293
8.337001
6.334254
6.712073
5.643315
9.224845
8.275231
7.903272
5.643910
6.959380
8.483108
8.693686
8.573077
6.747215
7.580981
8.779992
8.044008
8.988372
8.877529
6.925932
8.679037
5.731559
6.880032
7.694998
5.472762
7.174230
5.409772
7.903378
5.327982
9.189550
5.490341
6.895291
8.268624
5.942381
7.606250
6.841090
9.209571
6.964751
7.747261
8.659032
8.888531
5.953871
7.295709
8.053423
6.690466
7.514588
7.320368
9.061144
8.066973
8.760842
9.708869
8.782937
6.765786
7.539979
7.029710
6.103778
8.250206
9.807749
6.005631
8.409879
9.025987
6.590487
9.664556
6.390042
9.337031
7.971755
7.045824
8.299768
# Label of molecule (8)
0.726770
# Number of Instances of molecule (9)
3
10.581391
9.088503
9.584512
10.493483
12.431670
8.892276
11.234162
9.333425
10.428815
8.963760
8.514480
10.180633
9.464055
7.435637
9.596149
8.235542
9.915356
8.786952
10.082342
10.464595
10.978079
6.987800
8.587627
7.984640
8.275948
10.381990
6.989524
6.625926
7.593559
9.898718
7.734275
8.799371
6.511582
8.549608
6.404157
9.272774
6.408673
6.891354
5.978607
8.879452
8.167150
7.693381
8.692557
6.253395
6.483139
7.328867
6.338603
7.048952
8.372600
7.316660
9.359203
6.142430
7.507828
6.348003
6.022675
9.203192
9.579424
9.868618
7.062502
9.504471
8.587863
9.290765
7.146290
6.738563
8.020707
8.950179
6.749306
8.812479
5.988907
5.425535
6.263451
7.743477
8.810282
6.997482
7.950026
6.135151
8.496918
5.868175
6.745521
8.482635
7.034837
7.803049
7.286187
6.137104
5.748054
8.136799
6.956221
6.825114
7.124561
6.023453
# Label of molecule (9)
0.787491
# Number of Instances of molecule (10)
4
10.554174
9.084988
9.550579
10.485309
12.183586
9.146100
11.356411
9.050660
10.685299
8.866229
8.718888
9.947215
8.374724
8.247775
11.329568
7.905093
8.901391
7.599208
7.836910
11.064850
10.982746
5.369370
9.576675
7.182450
6.746058
11.477759
7.186314
8.387491
9.615274
8.282170
10.607501
10.018983
10.682699
9.612964
9.386761
8.218513
11.289651
8.073855
8.904202
10.102481
8.994903
9.567186
11.138890
11.343730
11.518906
10.075503
10.296579
9.501389
8.465102
10.703085
9.325724
10.420118
10.161443
11.416364
8.798853
10.653768
9.052400
11.243507
8.037721
10.286935
6.004639
6.180181
7.681448
8.746422
7.936460
6.114139
9.058199
7.900204
8.345897
8.956023
8.877529
8.051820
9.264260
8.225166
5.746086
8.934782
8.352489
8.182684
7.400433
7.228431
6.853298
8.918058
6.484146
8.485549
8.911832
6.460219
5.879147
8.520585
8.136052
6.287484
9.627735
8.959136
10.545976
9.395428
9.252968
8.147221
11.673818
9.268593
11.280740
8.691427
9.070833
9.689261
9.263466
8.051393
8.448988
9.985412
11.285989
8.783715
11.396344
11.754997
11.354350
10.316477
8.090823
8.981231
11.154027
10.747887
10.570879
10.608356
8.049074
9.043001
# Label of molecule (10)
0.727518
# Number of Instances of molecule (11)
4
10.671564
8.961196
9.657841
10.604723
12.655921
9.144131
11.249558
9.138162
10.290302
8.910085
8.626171
9.923933
9.421802
9.861320
11.013257
9.511505
8.047629
8.265471
7.491892
8.138331
9.457271
6.849764
7.096919
6.473426
8.432737
8.864696
9.691942
9.017029
9.512906
9.555608
7.980285
7.623096
8.319285
8.031312
5.924070
7.134556
8.899014
6.912381
6.794214
7.016022
8.877529
8.603839
6.211798
7.845759
6.302744
6.943510
6.105960
6.070437
8.641560
8.870937
7.863582
8.595050
7.269204
9.059053
5.502060
5.925291
6.420179
8.789758
9.242042
6.743431
7.758003
6.691565
7.363948
8.895611
8.047075
6.804361
6.524567
5.730598
7.884350
9.061144
5.885510
8.285119
9.112537
5.801401
6.620518
5.726447
6.737709
6.479766
9.146352
5.164174
8.766457
5.191885
5.799814
8.718360
7.066576
5.756355
6.976608
5.832286
5.626957
7.225761
9.440718
9.553758
9.680227
11.548570
11.282449
9.186804
8.636006
8.501236
11.518906
8.219855
9.177648
10.737022
8.307993
10.973357
11.448469
9.721610
9.326701
11.627674
10.158635
11.202734
10.294870
10.688559
9.450728
10.716391
11.524766
8.005371
10.224799
11.336772
10.867031
11.220801
# Label of molecule (11)
0.829358
# Number of Instances of molecule (12)
5
10.630536
8.893046
9.676380
10.727839
12.621983
9.233879
11.511343
9.240605
10.609045
8.943042
8.358929
8.943950
9.100421
9.817563
10.825396
10.540821
10.755097
8.778272
11.000819
8.740086
10.464376
5.459502
7.293533
6.551218
8.269003
9.967519
7.499222
7.696712
7.008740
9.280195
7.099857
7.896390
8.754082
9.077822
8.467208
9.272774
7.871975
9.096133
9.194525
7.757958
8.362102
7.945830
6.218726
8.965392
7.194220
9.426344
6.329325
8.224281
6.799066
7.965972
8.508225
5.819056
7.450209
8.546434
8.823054
8.690359
7.889554
9.023988
6.751335
7.971465
6.396588
8.323283
6.466536
9.774010
7.946806
6.918577
6.350322
9.518876
7.060549
6.260353
7.632588
8.711966
9.311350
6.462630
6.487899
6.604358
9.371288
9.179632
7.391736
8.619800
6.287942
7.032105
9.939665
7.965117
8.316813
6.497055
6.910154
8.639576
10.181249
9.630207
6.927900
9.290765
8.502167
8.070391
7.517273
7.506897
8.753273
5.661138
6.356227
5.690924
6.083392
6.635411
5.873424
6.301416
6.840739
9.290033
8.342494
6.661290
8.013993
7.137013
8.095782
6.571932
6.489776
8.202475
8.294519
8.389615
6.552034
6.722816
9.126942
6.936445
8.154500
8.466521
7.095019
5.939344
8.623753
9.002182
7.674383
6.667516
6.261132
9.061144
6.417508
8.782815
8.569185
9.290399
6.814982
9.221305
9.141346
8.024857
8.837748
6.677526
8.813944
7.090503
8.631809
6.590487
8.373012
9.067003
7.455626
5.527223
7.690008
7.386410
# Label of molecule (12)
0.781668
# Number of Instances of molecule (13)
4
10.414247
8.969439
9.749572
10.449787
12.172592
8.963190
11.219519
9.022816
10.200475
8.526859
8.713501
10.020870
8.289660
7.721583
10.347921
8.597842
10.660401
8.424274
9.935759
8.641793
10.311187
6.712210
9.319981
7.919696
6.740951
9.198831
8.158123
8.424858
10.134379
9.300989
7.978698
5.253517
7.149083
6.589373
8.436476
5.809076
8.713584
7.980285
7.530564
5.911130
8.877529
8.380200
5.815302
8.240913
8.636921
7.178991
7.682302
6.139897
8.332469
7.876522
7.536790
8.179754
8.009827
6.664571
5.436262
5.973510
5.179174
5.437605
5.564684
7.106113
9.153676
9.290765
6.937910
9.341914
5.807871
8.213218
6.545076
9.156728
6.155782
6.479644
5.460326
5.826426
8.471526
8.820414
6.100482
9.217399
6.189840
6.965011
9.269768
6.989303
8.271935
6.650792
8.207846
9.114856
8.029496
8.871929
7.037034
7.828074
5.787973
7.245781
11.389874
8.003662
8.370861
10.592608
8.126713
10.691366
11.999878
10.842128
8.948759
8.925077
8.713645
11.243507
9.693045
8.452162
9.944029
11.858272
10.182196
9.859920
10.052065
11.724845
8.776147
10.019837
10.065737
9.315592
8.385388
8.775414
8.812891
9.423017
11.320414
10.745933
# Label of molecule (13)
0.675154
# Number of Instances of molecule (14)
4
10.504034
8.991054
9.512120
10.656357
12.665680
9.067224
11.337843
9.353524
10.621351
8.650293
8.736913
9.870995
9.603872
7.957667
10.688740
10.105498
7.716306
7.912809
10.575554
7.571417
10.947628
6.889780
10.063841
6.436402
6.864237
9.928188
8.357490
8.048900
7.080398
10.319578
11.911130
10.076724
10.886563
8.482437
9.761406
10.372997
10.974578
10.100162
11.774895
9.513474
9.162145
8.082766
10.639607
11.739494
9.057161
11.058931
8.063234
9.808405
10.111881
8.717917
9.092929
8.104984
11.954222
8.198492
11.676992
11.150243
11.149388
9.312662
9.344157
9.883847
8.459792
5.680288
6.705954
8.834559
8.426466
6.966216
7.666555
6.867824
8.471267
8.578326
8.877529
9.253883
7.205603
6.553606
7.297891
7.039827
6.600970
6.488418
7.414472
7.845759
8.745079
8.336253
9.511826
9.439924
6.841700
7.605152
9.369488
7.150304
8.327830
9.327738
6.103778
9.301019
6.286889
6.475372
7.022629
6.242576
9.068346
8.331874
7.338801
9.061144
6.701819
8.706519
6.556185
9.182730
9.216666
6.409207
9.378170
6.135884
9.353389
5.834117
8.902081
6.037248
6.770791
7.722846
7.056078
7.475768
6.682287
8.763527
6.154073
7.169851
# Label of molecule (14)
0.812567
# Number of Instances of molecule (15)
3
10.508310
8.968488
9.642792
10.742579
12.279935
9.238618
11.346182
6.804922
9.793813
6.982204
7.901058
8.795639
9.362273
8.360452
12.315811
9.935467
8.114973
8.246997
7.720563
7.519271
7.713155
7.602947
8.682339
7.746108
9.079299
8.859675
6.610124
8.621245
8.080083
7.445072
8.669271
9.200781
8.668905
8.069521
7.609424
7.405560
6.581805
6.086184
6.732322
6.019654
8.877529
5.546373
7.024445
8.368480
5.921506
8.023988
7.160314
5.356182
8.187933
6.541520
5.363140
7.547655
7.396283
8.882534
6.665059
5.678823
8.486160
6.020020
7.938292
8.473830
7.026887
8.588702
6.815699
7.872250
8.653401
5.864864
9.055879
5.536851
8.718223
6.005737
8.877529
6.475723
6.378307
8.562944
8.440016
6.401013
5.521958
6.350475
7.522629
7.251259
6.316660
5.464339
5.849727
5.940306
9.156346
8.730308
7.252358
7.224403
7.380657
7.457564
# Label of molecule (15)
0.594830
# Number of Instances of molecule (16)
5
10.423542
9.111426
9.637212
10.618722
12.125469
8.827932
11.357672
8.786441
10.428880
8.347680
8.835346
9.398008
8.530359
8.345003
11.736801
10.819221
9.936961
7.809425
8.926918
8.524234
8.215424
6.218360
8.385591
8.507329
8.469713
9.297935
9.173544
8.140450
8.583447
7.796270
5.965545
8.546068
8.517136
6.697256
8.775933
9.272774
9.620075
7.834376
9.465041
6.261452
7.527482
6.155492
7.193243
9.290719
9.635090
7.257332
8.251259
9.281564
9.618976
6.976928
5.952605
6.998779
7.060427
8.713431
5.958953
9.587725
9.188055
7.522965
5.907071
6.320658
8.576754
9.290765
9.278436
8.217856
7.318415
8.270470
8.390225
7.329035
7.997635
6.494293
7.506409
8.286950
9.157704
9.565554
7.567202
9.182974
8.654759
6.241844
9.070788
7.579409
7.490173
6.324244
9.135487
6.518586
10.071184
9.380245
7.678777
6.305933
9.776498
7.679388
5.736808
7.748466
6.797388
7.103671
5.498642
7.716971
8.923795
8.377026
5.958007
5.339213
8.877529
7.071566
8.759606
7.387371
7.612110
6.867458
6.544206
7.299600
6.416639
5.646107
6.719626
8.256172
5.414777
6.187140
6.657247
8.091250
6.182257
7.638112
5.196875
5.414777
5.565416
8.558061
8.341868
7.173376
9.170629
9.298074
8.598102
8.718589
6.684347
6.279061
8.877529
8.921598
6.571429
8.785974
8.615925
6.145146
7.476730
5.780877
7.861751
9.183569
5.932249
6.167730
7.213294
8.646931
6.493179
7.890683
6.872829
8.119327
7.178503
7.243934
# Label of molecule (16)
0.674593
# Number of Instances of molecule (17)
5
10.639251
9.039848
9.364484
10.274897
12.591038
8.763727
11.098531
7.291174
10.057688
8.149339
6.585261
8.178933
8.387236
7.141273
11.218733
8.870319
8.117272
10.346610
9.831713
8.255775
7.915346
8.080829
6.891674
7.505855
6.711840
11.179608
6.964281
7.511847
7.679526
8.305968
8.639744
7.929762
5.989883
6.754921
8.457732
8.228355
8.095416
6.137837
9.225089
9.061144
7.318537
9.466430
9.282220
6.234397
6.668004
9.049059
9.171499
7.222098
8.545137
7.823435
6.274316
5.977187
7.502747
7.367611
8.286706
6.861858
8.778909
9.216056
8.902692
5.567873
7.023560
8.842708
9.207953
7.708762
9.242012
9.272774
9.445631
8.875423
8.030305
8.051912
5.524003
7.028443
8.272866
6.875118
6.415632
6.136448
6.567248
5.881802
9.215522
6.418317
7.049806
7.906034
8.588794
7.291391
7.057497
6.842524
6.990844
6.625843
8.000275
8.006012
8.747887
6.285409
9.317118
7.002228
9.336772
6.399304
5.484115
9.164159
9.294046
6.050539
8.877529
6.523453
5.391217
7.291177
7.526292
5.927366
9.125462
8.895108
7.813776
7.594409
7.731132
8.045595
8.610920
7.000397
6.030274
9.139256
7.184240
8.069887
8.492630
7.582324
7.532014
7.106098
6.216422
9.069414
9.508393
6.565920
8.032273
6.922742
9.579196
7.874432
7.871380
7.104389
9.747536
7.909223
9.914655
6.558962
7.252709
6.047594
8.426328
8.223319
8.771920
7.291040
6.577395
9.850688
8.455992
7.506623
6.039293
7.138325
9.177328
8.660833
# Label of molecule (17)
0.488497
# Number of Instances of molecule (18)
5
10.364494
9.160901
9.397345
10.590491
12.642281
8.792144
11.489012
9.096972
10.667702
8.194054
8.420380
8.967598
9.091329
7.329714
12.116133
10.439540
10.194848
7.421263
9.210198
9.307693
9.075990
5.455366
8.656558
6.751007
8.024780
11.187140
8.061447
9.381673
7.317165
8.437436
8.826716
9.034364
8.813654
7.199103
8.402020
8.992370
6.076022
9.518876
8.817316
5.804407
5.688192
6.664907
8.008332
7.234993
6.445662
7.894192
8.465499
7.093020
8.878964
7.799219
7.232307
9.429640
5.951140
8.719779
6.023286
9.507523
6.062838
8.365520
9.331858
5.920255
9.142644
8.970519
8.078646
7.470229
7.706076
7.265633
10.027436
9.518876
7.289804
7.948637
6.716300
6.665639
8.061800
10.216163
8.695120
6.441633
7.021851
7.539689
7.368297
7.912626
9.438063
8.551561
8.633229
8.278603
7.401257
9.700644
9.819300
9.683676
9.371776
10.059908
5.664785
7.728324
7.289346
7.318400
7.315958
5.767205
6.558000
7.228187
6.290658
6.139897
8.877529
6.779443
7.457930
8.568682
7.769585
6.620991
8.295846
8.782311
8.232856
6.635884
7.765435
8.086856
7.316080
8.727866
9.303323
5.711783
8.997284
6.819239
5.804437
8.303049
8.825541
9.290765
9.463988
6.593661
7.773141
6.402005
8.170614
8.293664
6.220725
6.954756
5.908460
7.199759
8.206992
8.291467
6.390652
7.922803
9.656865
6.990890
6.927656
7.506287
8.693457
9.127918
5.939589
6.401883
9.067492
6.305200
7.771065
9.653691
8.578097
7.835765
# Label of molecule (18)
0.680162
# Number of Instances of molecule (19)
4
10.381365
9.152728
9.531225
10.368581
12.172678
8.684259
10.497339
7.330432
8.364529
7.598943
8.076481
8.840235
7.228208
7.266716
12.144471
10.902635
10.655919
9.182570
8.095127
10.844037
10.482577
7.625456
9.801947
6.132318
7.317647
10.816902
8.989430
8.457036
6.832183
9.345698
8.565325
9.081210
9.630299
10.699911
11.494491
8.955473
11.885495
9.776543
10.566851
9.831599
8.540666
11.109348
9.646046
9.461226
8.661275
9.423505
10.793176
9.935850
8.644063
9.572192
9.900449
11.073214
11.567003
10.840785
8.099734
11.108249
10.748863
10.242744
9.318644
9.563890
5.883511
6.700186
7.731834
7.392468
9.401685
9.272774
6.345683
9.344066
6.157201
6.337382
8.488937
6.423078
8.915098
7.493301
7.719626
5.708335
8.367473
7.300180
6.626576
7.620869
9.456618
5.602985
8.366863
6.666494
6.469222
6.160131
7.412244
6.169286
7.280770
8.450972
7.296182
5.713248
8.019227
7.456587
6.419202
7.039827
6.108280
7.802423
8.036195
7.018586
8.877529
7.489059
6.906522
6.314707
9.221534
7.917051
8.947966
6.675558
8.265084
6.544572
8.245796
6.191656
7.087680
6.066408
5.835688
7.863460
8.658162
8.585894
8.634968
8.345897
# Label of molecule (19)
0.431666
# Number of Instances of molecule (20)
4
10.509700
8.895471
9.507421
10.732580
12.427962
9.207918
11.045775
9.313468
10.294564
6.732367
8.718285
8.704306
7.123251
10.103417
9.939594
8.429850
10.599722
8.210162
10.318831
7.500927
7.719688
5.656599
10.144612
7.947515
8.132847
9.904996
7.009074
8.622387
10.041037
9.287588
6.234275
9.290765
9.104846
7.144459
9.172720
8.867656
6.234886
8.705908
6.093402
6.490387
8.157796
8.790506
9.450194
6.258324
6.824137
7.548036
7.520936
7.399472
6.172140
5.631596
9.544435
8.369472
8.181478
6.355861
6.160787
7.162038
5.919324
8.002640
8.032792
7.205130
7.874569
8.571490
8.868374
8.258003
6.639668
7.754692
6.107181
8.246284
6.057009
6.698874
8.877529
6.276498
7.302774
9.371319
9.358257
9.504990
5.998413
6.567034
8.930509
8.009339
8.284616
8.195624
8.669515
8.634358
9.200049
6.779077
9.828120
5.984497
8.238716
9.534898
6.468642
5.925535
7.656667
6.588275
7.053499
7.019074
7.961241
6.869045
8.630573
8.610431
8.877529
8.966399
8.316965
9.378033
8.781823
5.636708
7.796442
8.028138
7.966979
8.476394
8.330638
7.767998
7.572436
9.453597
7.074984
6.991241
5.504868
6.589862
5.574206
5.548936
# Label of molecule (20)
0.664382
# Number of Instances of molecule (21)
4
10.632466
9.034667
9.508033
10.597772
12.440062
8.956621
11.048866
9.267818
7.806157
7.680734
8.076904
8.721251
7.487900
9.959380
12.558925
9.982077
8.541797
9.079186
8.730898
10.671564
10.563313
8.377004
8.710553
8.461504
8.408631
9.010903
7.055479
6.909711
9.678896
8.555041
7.718772
8.438154
6.983154
9.696127
8.732841
9.182318
10.133274
9.518876
7.782006
6.724357
6.416364
9.678915
9.500198
9.741050
7.571551
8.140782
9.445997
8.755181
8.512375
7.063967
6.953246
7.940703
8.236122
8.994446
10.190771
7.918851
8.879086
7.233772
6.807489
9.421461
7.008683
9.164876
7.007828
9.580294
7.626377
9.001663
8.078417
5.957625
8.580630
6.242302
7.324244
8.119556
9.747536
9.666601
5.865703
8.248711
7.628330
9.115436
8.416440
6.281854
8.385678
7.733314
7.878216
8.038011
8.091113
8.201834
7.085589
8.525697
9.559053
6.840464
6.751625
7.061815
8.848003
8.400479
8.464812
8.385830
8.392056
5.933119
6.836955
9.061144
6.409574
6.585849
7.831126
7.939650
7.996170
7.478942
9.234245
7.649358
7.758492
8.544893
5.881481
7.273858
6.097430
8.594211
9.091662
8.023637
5.639042
5.561525
5.687017
5.774667
# Label of molecule (21)
0.708088
# Number of Instances of molecule (22)
5
10.595038
9.077321
9.266100
10.441218
12.718376
8.891074
11.209310
9.116929
7.980474
8.729173
8.114089
9.458152
8.102339
7.932689
12.398526
9.634732
9.933743
8.280494
8.096737
9.576152
11.054965
8.034079
8.470012
6.705384
6.184478
9.173606
6.614099
8.459112
7.774850
10.324199
7.272973
8.833811
6.599124
8.804147
8.191702
7.672033
7.181173
8.738838
7.382473
6.347163
8.220756
9.709815
9.747536
9.686987
8.868603
9.106769
7.894452
8.365902
7.705481
8.641667
7.691809
6.563723
6.682012
8.157888
8.814524
7.771401
9.240074
9.026444
10.157338
7.120136
7.716117
8.335154
7.028474
8.144963
8.461379
7.337565
5.973388
7.318155
7.951720
8.742637
8.877529
9.032319
7.067537
9.134373
7.985168
8.994842
7.609790
9.362041
8.529130
7.121006
6.292123
9.885372
6.608295
8.532548
6.724998
7.268105
8.246162
9.140110
7.265908
8.195502
8.089999
6.865596
6.998169
7.612934
6.493637
9.272774
5.843959
7.725120
8.457442
6.904050
7.039308
7.748314
8.808161
6.693716
6.640736
6.050874
8.009186
7.759545
6.751946
6.595935
6.588244
8.434980
7.338878
7.126835
8.559862
5.450392
6.225440
6.937742
7.712668
5.638264
8.667089
8.560884
5.741462
6.085955
8.420499
8.285241
9.260613
9.384518
6.640538
9.061144
8.158040
6.579501
6.069964
6.766762
9.021836
7.043992
7.302789
6.882000
9.045030
8.632298
7.649480
7.207816
5.779061
9.053331
7.997391
7.735298
6.067522
7.828684
5.535524
8.037675
# Label of molecule (22)
0.609894
# Number of Instances of molecule (23)
4
10.579103
8.977333
9.698148
10.314895
12.582884
9.125802
11.566743
9.289293
8.320373
7.793766
8.277823
9.437018
7.261513
9.071384
9.914867
10.259313
9.432679
8.495942
9.680761
7.605335
10.467876
7.646426
10.371432
5.910881
6.583242
8.926861
6.581229
7.848361
8.887139
9.279271
9.677221
6.671514
6.247551
9.673559
6.460936
8.791452
6.848521
6.192862
9.968612
7.263939
6.162709
8.748360
9.747536
9.895123
8.603336
6.600589
8.283135
6.713263
9.338710
9.533174
7.092547
7.597934
8.040208
9.584689
9.969222
9.087359
7.215232
6.650761
7.749428
7.241111
6.889065
7.344401
6.211188
8.282785
6.758812
7.860775
8.022279
8.064028
6.697165
8.174749
8.877529
7.385174
8.977386
6.779565
9.226173
8.044374
6.727439
7.449873
7.659108
7.513596
9.713981
6.806543
9.844722
8.111026
6.271493
6.063601
9.048799
9.038789
9.759148
7.827448
7.734397
8.650075
6.617298
6.239357
7.290048
9.272774
6.073092
9.503128
8.265053
6.776605
8.519700
8.871273
8.251625
9.061342
6.785394
8.147496
7.115238
7.865627
8.727958
9.462111
8.464522
8.271523
9.355907
5.880581
8.269936
9.387036
9.537675
7.880642
7.006104
9.083804
# Label of molecule (23)
0.667625
# Number of Instances of molecule (24)
5
10.525885
8.958797
9.751584
10.490438
12.454917
8.819900
11.410489
9.209684
10.296798
7.419225
6.565949
7.586712
7.571344
8.205314
11.003410
9.084436
8.503643
8.095205
9.623737
7.414287
8.454483
6.653533
8.961051
6.679386
7.574842
9.086456
9.748444
6.390511
8.832983
10.479927
7.178014
5.852657
8.806726
8.867397
8.080264
6.090579
8.134465
5.420515
7.947325
7.057527
8.877529
5.123997
5.646718
7.372600
7.256752
5.598254
7.503098
6.957427
5.624744
6.918485
8.675741
5.532823
7.949156
5.607288
7.717582
5.703116
7.163732
6.152593
7.187536
8.000305
7.145787
7.216468
8.959807
7.307291
8.690146
5.685415
6.087893
7.246010
5.698965
8.175359
8.877529
7.303507
6.602313
6.716330
7.961486
8.118961
8.345286
8.027528
5.256447
8.390942
7.704276
7.201819
8.884243
5.559069
8.782922
8.976897
6.959624
9.008515
7.561571
7.967223
9.096133
5.950285
7.403577
8.627003
5.929777
9.272774
8.990173
6.244362
7.366466
6.523179
6.544908
6.548936
6.116916
7.486831
6.581530
9.291818
7.966216
7.523820
7.549455
9.389111
9.026185
8.442793
6.193091
8.290811
8.169713
5.958586
5.778039
8.873104
7.517716
7.112552
7.635517
6.805536
8.643239
8.507370
7.640400
8.150670
6.955809
9.518876
5.775231
8.696341
7.353893
8.135289
5.750694
8.326090
5.700278
7.313608
8.410199
8.885189
5.946501
7.781396
6.920042
6.241432
5.928312
6.092868
8.141148
7.931181
8.030305
7.208869
9.053529
7.765526
# Label of molecule (24)
0.640110
# Number of Instances of molecule (25)
3
10.583228
9.205015
9.807637
10.256607
12.314307
6.922626
8.439786
8.107177
7.594116
6.268655
6.774576
8.340428
8.461553
8.392321
11.855422
6.564776
8.891622
9.509302
8.062362
9.309769
9.070973
5.767220
7.734893
6.473831
8.495759
10.353896
7.167838
9.148957
9.472729
7.839361
7.144704
9.290765
6.933882
6.598300
8.230552
6.294946
7.566347
8.878277
8.157796
8.051103
7.688421
6.374783
8.037797
9.526856
8.949934
8.704077
8.217368
8.583102
8.482147
8.297937
6.714393
6.645177
6.329249
7.649236
9.238151
8.241661
9.402463
7.612735
6.171651
7.284478
5.803827
5.881466
9.514634
6.700705
7.701590
6.070315
7.217811
8.396191
8.308908
7.059969
8.877529
9.657460
7.866878
9.573717
7.630299
5.815058
6.738548
7.880551
7.200232
7.511765
7.032502
5.903562
8.016785
8.884610
8.810266
7.196326
8.857265
7.803644
8.256417
6.660909
# Label of molecule (25)
0.355687
# Number of Instances of molecule (26)
3
10.758613
8.800423
9.637278
10.315730
12.334648
8.283825
9.338911
7.708037
7.632128
6.716232
7.401133
8.604967
8.802473
7.819484
9.185762
9.398739
9.232484
9.936414
7.957856
7.588030
10.649883
5.428721
8.064723
7.154631
9.174394
9.237923
9.613420
8.608478
7.131692
7.779056
8.730323
8.422452
5.964370
6.603427
7.012497
7.897412
6.099139
7.033982
8.374966
9.061144
8.570162
9.287713
9.458617
8.305506
6.793497
7.291925
8.254357
7.320978
8.989364
9.367306
7.087451
8.589206
8.239830
6.811319
7.467833
8.400845
6.601840
6.442900
8.683813
5.770272
8.219398
7.832545
6.029023
9.351512
6.629139
8.852107
9.156194
9.518876
9.849818
6.325785
8.540941
8.884213
8.683889
8.414350
5.970183
6.922483
8.436934
8.181433
9.031190
6.076022
7.337901
9.775719
6.106418
6.526231
9.828455
7.134892
6.424665
7.924589
6.592639
9.588824
# Label of molecule (26)
0.345751
# Number of Instances of molecule (27)
4
10.646174
9.157319
9.299470
10.333981
12.536260
7.851116
8.950056
9.488036
10.637177
7.086224
8.668055
8.918440
7.283562
6.334403
10.188343
8.185679
10.275064
9.718518
7.712745
7.627601
9.982058
5.513274
7.264212
7.627347
6.015636
10.602315
9.537690
7.752452
8.484492
9.821778
9.788324
8.547929
7.751030
6.045167
6.323984
8.127262
9.526963
7.122227
6.393689
7.629200
8.877529
9.935789
5.975951
8.238594
9.904050
9.325541
9.663564
9.432844
9.323710
8.735069
6.219489
9.851802
7.616138
6.374767
6.657491
7.223548
9.129856
6.128056
7.218909
8.219428
9.802255
9.290765
7.105152
7.679876
9.153188
6.298608
7.346614
9.474242
9.852550
8.472747
7.664373
6.735023
7.928297
8.025101
7.238578
8.523164
8.128254
8.956160
6.939863
7.592105
6.163717
8.862651
6.662389
8.989975
8.476653
6.800577
6.618564
6.402493
7.904859
8.077715
7.493057
6.722159
6.037812
8.330119
7.593158
9.272774
8.248207
6.513169
6.705679
6.840449
8.245399
8.672781
9.001892
8.883602
6.132542
7.058107
8.978454
9.644124
6.276833
8.202307
8.388348
6.894406
8.831233
7.959624
9.695639
9.737388
8.215613
9.287423
8.428388
6.335551
# Label of molecule (27)
0.461027
# Number of Instances of molecule (28)
4
10.393307
9.102890
9.728428
10.394191
12.437091
7.794403
11.278201
7.723723
9.124382
7.298126
8.130353
9.003815
9.302774
9.194237
8.824458
7.968379
7.690103
9.070617
7.843348
7.825917
9.378868
7.883635
10.009073
9.069571
6.064665
10.183900
8.156619
9.099030
10.130636
7.496712
6.218406
7.535218
9.338374
6.420072
6.134175
7.380428
6.751869
6.397122
9.591678
9.061144
8.499115
8.002640
7.196585
8.056475
8.113971
6.011856
6.831584
9.758919
9.093860
7.542665
6.276269
9.369503
8.812113
8.884869
8.882794
8.754982
7.174612
9.228019
9.180532
7.641301
11.432112
10.662557
8.391858
9.979308
11.139256
10.767785
9.366008
10.751549
8.561296
8.545915
10.021058
11.289529
10.206488
9.930601
9.986877
8.898587
11.355205
9.841853
11.945921
10.019715
9.618824
10.270455
11.984375
8.745994
8.552629
10.322703
9.685232
9.238685
10.197699
9.599902
9.427900
8.290292
9.648366
9.289712
8.978057
9.346110
11.292093
9.328166
8.023804
10.121891
9.743583
10.213080
11.194311
8.848048
11.697012
9.373699
10.886929
9.317057
11.488510
11.667592
9.763482
9.153233
11.885983
9.585009
8.300913
11.045381
11.618763
10.352489
8.270394
10.314280
# Label of molecule (28)
0.517443
# Number of Instances of molecule (29)
4
10.430658
9.087869
9.419537
10.321030
12.336470
7.860089
10.929208
7.693327
8.441320
8.902625
7.180648
7.828032
8.335632
7.072523
9.160110
9.423555
7.571618
7.079618
10.773183
7.334107
9.550491
7.683364
8.287892
6.518038
6.105215
8.248789
8.701550
6.175856
9.980497
9.850891
8.676977
6.165181
7.013230
8.396695
8.894147
7.913526
7.684881
6.604526
6.551302
9.061144
7.194388
9.218863
6.005997
5.336665
8.000076
8.026933
6.825114
7.791086
9.073962
7.448546
8.431364
8.460906
5.482299
7.959426
7.710273
6.774453
8.863140
7.447813
6.953169
6.574374
10.204291
10.326975
10.804285
11.299661
9.225745
8.228889
11.186499
10.514725
10.861171
10.494949
8.817530
10.016053
9.296304
10.824061
11.060518
11.864986
11.001434
9.327433
8.585467
9.187048
9.564013
8.629414
8.637349
9.536668
8.483657
9.710623
8.200323
11.188086
9.302408
9.368694
5.945158
8.670339
7.278573
7.858913
5.649373
9.272774
6.529893
6.677602
6.349956
7.983184
7.384411
6.489120
5.905606
9.439894
7.703635
9.346141
9.033265
7.283212
8.949889
6.300150
8.329020
6.693716
7.139653
8.702200
8.250160
5.673299
6.697623
7.431654
9.433302
8.943419
# Label of molecule (29)
0.435718
# Number of Instances of molecule (30)
3
10.645286
9.178463
9.643604
10.427121
12.717118
7.834999
10.678446
6.843915
9.441723
7.573195
6.652263
9.263569
8.160849
8.016965
8.669092
8.318497
9.841345
7.323332
7.642500
9.143987
8.772062
7.232608
6.802384
7.957024
8.631711
8.941326
9.796138
6.481646
7.440117
8.538752
6.462920
9.290765
6.351466
6.755043
7.543886
6.443754
9.104968
9.035508
7.558779
6.738319
7.742012
6.439604
7.930616
9.814951
9.455931
6.209250
6.763833
8.000443
8.805399
9.489135
6.258324
8.637181
6.890790
9.682867
8.864727
9.311518
8.458464
9.147450
8.057451
6.354640
9.350291
6.743400
8.144810
9.336131
8.928159
9.272774
6.697745
8.224891
6.021821
5.627522
6.819208
5.950774
7.899808
6.728874
8.850520
6.033784
7.601947
8.976379
8.932310
7.158086
5.790368
6.265847
6.117527
6.716788
8.343791
5.905118
6.414167
5.692221
9.566118
8.802423
# Label of molecule (30)
0.392353
# Number of Instances of molecule (31)
5
10.345687
9.068208
9.583625
10.651322
12.284142
8.400823
11.160446
7.115088
7.828235
8.929059
6.119303
7.807457
7.176245
8.100198
8.847191
8.694078
9.681373
6.919702
8.158244
9.834690
8.830164
7.323317
7.235777
6.293566
8.694018
10.434829
6.472092
7.912094
9.609550
10.525098
9.360057
7.256600
8.833796
7.867336
6.351665
8.745415
8.810602
9.518876
8.117710
6.400739
5.959441
8.803278
8.919980
8.016755
6.387799
6.037446
6.585437
8.553636
6.390851
6.715567
5.898282
9.126774
6.370830
5.976775
7.890286
6.922971
8.092929
8.691458
9.404981
8.923643
7.272622
8.269234
6.483535
7.413373
7.694388
8.362865
9.033662
8.762413
6.654683
9.036592
8.877529
7.665944
6.476821
8.388501
6.431776
8.782434
6.342174
6.617206
6.062624
7.974548
7.369427
8.946989
7.192785
6.215339
6.593036
6.482559
5.744255
6.111576
8.214789
7.869076
5.991836
8.120197
6.793741
7.408750
8.205283
6.555818
7.332575
7.546937
7.914991
9.061144
5.589480
7.159352
9.099353
5.757210
7.634342
7.714423
7.387387
7.299738
6.747963
7.412656
8.826762
7.740669
7.717231
8.529756
8.548067
8.321253
8.464690
6.376858
5.704718
7.069018
9.276360
9.290765
7.015427
8.983261
5.814951
6.540193
9.005234
8.111896
6.751137
6.174703
6.190207
8.382168
7.311579
8.057817
5.637089
8.541719
6.667394
6.520417
6.385281
9.097644
8.388272
9.161122
8.929304
9.096545
7.794992
7.576479
9.036119
7.523377
6.586825
8.895489
# Label of molecule (31)
0.497977
# Number of Instances of molecule (32)
4
10.532828
8.947051
9.327169
10.355067
12.580086
7.037010
10.844095
8.938954
8.083663
7.262766
6.992774
9.931947
9.372985
7.227122
11.800150
6.567905
7.726764
9.862743
7.827253
10.163025
9.197561
5.560792
10.067714
8.128185
6.990791
9.665782
8.313127
9.151967
9.423746
10.087141
8.626637
7.806543
7.498917
6.663442
5.855434
9.272774
7.648824
9.170476
9.579424
7.046510
6.519639
7.212775
8.301798
8.219398
6.823603
8.326334
7.360851
5.879238
9.586505
8.906186
7.604999
6.967284
5.803674
6.935057
5.997162
6.470809
6.713858
7.984649
7.025391
7.327647
8.000305
7.623585
5.945555
9.509140
5.863765
9.208838
8.345164
8.204413
7.516404
8.237007
8.877529
9.696402
8.359935
6.827662
8.939909
6.343516
9.064425
6.358409
7.770806
5.844600
6.180670
8.509720
7.543504
8.653890
7.683889
9.644398
8.075991
9.669790
6.318857
7.899960
8.985458
7.721870
6.856731
6.542024
6.892499
9.076037
8.144612
5.590091
7.709174
9.061144
5.724860
7.233085
7.453917
8.168538
8.149251
7.746406
7.347468
8.909528
8.837382
6.725745
8.362392
6.046892
8.608493
5.190664
5.703619
9.163686
6.829508
6.960372
8.093097
8.940657
# Label of molecule (32)
0.499570
# Number of Instances of molecule (33)
5
10.246354
8.706271
9.751784
10.287440
12.338075
6.566754
9.006290
7.077425
9.453626
7.186639
6.550871
9.472676
6.880032
8.754237
11.445004
6.813042
9.614602
9.259023
8.492685
9.829268
10.702852
5.495093
8.966030
8.507329
6.030958
10.163218
8.573937
7.562812
6.916609
8.461119
6.078738
7.405438
6.205695
6.687521
8.107486
6.822901
8.140324
9.475326
6.301401
6.096561
8.877529
8.300607
7.926939
9.492416
5.807489
9.141331
8.293527
6.698874
8.102115
7.969665
7.360881
6.234382
8.192083
7.107089
8.681845
7.469039
6.519181
6.384411
8.056337
7.139927
9.431959
6.395001
6.290262
7.977813
6.460067
9.272774
6.602161
8.541551
9.499832
8.910581
7.626240
6.014740
6.220191
6.134495
7.950957
6.582263
7.595965
8.721244
6.426008
8.794244
9.700522
6.241188
6.328959
6.858394
8.837703
6.519517
7.803613
7.738304
9.382031
9.588214
9.421491
8.720176
5.636219
5.503159
9.286477
8.134098
8.177435
7.015534
8.061831
6.959990
8.877529
8.854579
9.163915
7.053133
6.616474
6.630146
8.075381
6.246467
6.516617
6.189215
7.327921
6.631855
8.795618
5.845210
7.819636
7.457686
8.892666
7.412397
7.843806
6.519303
8.013062
8.725120
9.888852
6.694052
8.598895
8.860622
9.433027
6.812098
8.796899
6.558184
6.869839
8.968780
7.113742
9.170934
8.465102
7.418195
8.384777
8.556658
10.206854
8.022828
7.942869
6.797327
7.346294
9.419721
7.124363
9.533860
10.212714
7.993408
7.485336
6.793542
# Label of molecule (33)
0.327368
# Number of Instances of molecule (34)
4
10.628840
8.776331
9.533424
10.536960
12.175801
6.689066
9.135738
7.922850
8.994220
7.284480
7.704205
10.168984
7.096877
9.518111
11.666503
7.496123
9.951671
8.661979
9.741923
10.187368
10.947978
6.488467
10.301062
5.827830
9.071128
8.832897
7.097157
7.724945
9.016475
7.519355
8.671438
5.713462
6.312357
5.750572
9.243965
9.272774
8.550829
7.041993
9.172918
8.053621
6.136204
6.476302
8.212683
8.374065
6.267922
6.124607
6.178198
5.735191
8.995300
5.954070
7.537492
7.737815
6.259377
7.709006
7.622211
9.270821
6.741447
7.501114
8.330607
6.348369
9.516358
9.290765
6.815226
7.329524
6.022965
7.705634
7.537049
7.885449
9.030259
8.437468
6.702429
8.316126
9.196646
6.470611
5.811411
6.575838
8.268273
5.953627
7.084765
6.464873
9.109485
7.802438
7.444029
9.696905
6.350490
8.576510
9.296503
7.677435
9.528199
9.003769
10.818934
10.755699
8.105350
9.844417
11.882809
10.487625
10.905118
10.539262
9.089267
8.918729
8.539933
10.987030
8.469863
8.793847
10.029359
9.869442
9.671072
11.502670
8.484146
9.163121
9.421796
9.369793
10.025330
10.395093
8.619892
8.219245
10.504959
9.608203
10.909268
10.586383
# Label of molecule (34)
0.411345
# Number of Instances of molecule (35)
5
7.686417
9.067029
9.510803
9.332765
12.421594
8.366586
9.150280
7.077071
7.630976
7.304820
8.846019
9.753284
8.760401
7.836135
8.087019
7.047821
10.613282
7.067934
10.116603
9.585843
8.958735
8.351513
9.954636
7.942659
8.533245
8.069707
9.486022
6.874939
9.296392
9.773720
7.559862
6.898709
6.361950
7.790338
6.997345
8.575640
7.145299
8.195868
8.759728
8.755699
8.877529
8.705893
8.394238
7.152867
6.225959
8.673299
7.553514
8.815394
8.551958
6.963530
7.661794
6.918119
8.539750
9.915281
7.852596
7.359783
7.538621
8.792810
9.557604
10.039674
7.257607
6.830958
8.457595
7.313761
8.927335
8.275826
8.784387
8.437819
5.665395
7.000153
8.877529
6.081545
6.060915
5.893551
6.663228
5.404523
6.788965
7.050935
8.710410
5.543443
6.963530
5.502060
7.047761
8.010559
5.764153
7.747246
7.693533
5.583239
5.710807
5.970702
6.443022
9.290765
8.557955
7.752388
8.493744
8.035722
8.489837
8.153157
6.643468
7.131397
8.152303
7.456114
9.616947
5.861827
9.573977
8.595676
9.704962
8.086993
6.874920
6.448271
5.805551
6.911054
7.272271
8.668798
8.737770
9.154042
6.796670
8.016800
7.203909
6.503815
6.974822
6.422193
9.888852
6.273263
8.477065
8.483779
6.284616
7.368877
6.146306
6.012146
8.271859
9.465621
7.936277
7.904660
6.824793
9.241737
6.347606
8.505142
5.958922
8.782739
6.155950
7.210547
7.923582
8.854030
9.413495
6.879849
8.105350
8.666768
8.098636
5.923399
# Label of molecule (35)
0.319223
# Number of Instances of molecule (36)
5
8.415196
7.262224
7.129277
9.457224
11.955245
6.878806
8.515849
7.493845
9.808019
7.677215
8.593770
10.210321
6.034560
6.413447
11.928485
7.439155
9.545304
10.462124
7.888990
10.928371
10.168031
7.706353
7.513715
8.595135
8.481255
9.650958
6.642027
8.928073
9.267442
8.477639
8.513276
8.883648
8.469573
7.555361
7.194754
5.971328
8.645726
7.274346
6.710608
9.061144
8.171468
7.100757
6.839640
9.550661
7.118824
9.735969
9.051012
6.277245
8.397305
5.991958
5.982803
7.085376
7.900708
7.168752
7.728095
6.105243
9.148061
7.078295
7.798288
6.118183
9.451537
9.190664
9.170522
7.402280
8.405362
6.099750
7.451231
6.995407
5.944349
9.061144
8.830790
8.885601
7.116871
8.949690
7.031663
5.764901
6.032243
9.529298
6.578036
8.604831
6.277856
9.207511
9.381344
6.719398
9.141591
9.502075
8.817484
8.477996
8.513398
7.593326
9.513672
8.508393
6.499786
9.665532
8.693823
9.285516
7.740425
5.927870
7.254814
9.061144
6.546052
7.807932
8.733497
7.031663
6.258202
6.582308
8.597995
6.231101
8.484588
7.475158
9.603397
7.474059
8.122517
9.408689
7.951491
9.009507
6.874310
8.403409
9.129872
9.260613
6.337992
8.057649
6.119358
6.119724
8.182775
7.545549
8.034700
9.518876
8.999329
8.625294
6.447859
9.736778
8.030915
7.657735
6.288186
9.228828
6.823725
9.290963
9.715903
9.565630
7.519669
8.590258
7.583148
6.871090
8.952696
5.879482
8.386883
5.910855
7.426649
7.668722
# Label of molecule (36)
0.152277
# Number of Instances of molecule (37)
3
8.298028
9.067465
8.651469
10.415033
11.859177
6.791689
9.713427
8.679566
9.594731
8.858425
7.724026
7.986585
7.675220
8.275759
10.070664
7.897708
9.367978
10.048144
8.222396
9.923984
8.015216
5.367158
8.719847
8.622347
6.308173
10.625268
8.921971
7.070391
7.183866
10.521863
8.520219
9.165014
7.491256
6.541887
7.147008
7.011139
9.252419
6.506485
8.491165
7.621754
8.877529
10.322520
9.774407
7.007111
8.960417
9.848018
9.904050
6.838893
10.045534
6.653706
7.978210
6.785424
9.442000
7.995544
8.502029
8.339061
8.686361
9.465682
6.689840
8.011048
7.924741
6.464858
7.008820
7.207801
6.573138
7.286050
5.339091
6.533952
7.971374
5.704947
8.877529
7.549974
9.037324
7.226112
5.177099
6.348155
5.323344
8.479568
5.410382
8.542436
5.709830
5.994873
6.869533
7.176672
8.808069
7.465133
7.116977
6.316050
6.450087
7.380169
# Label of molecule (37)
0.276431
# Number of Instances of molecule (38)
3
9.399449
7.931077
7.915819
9.928944
10.334351
7.876031
8.737325
8.533611
7.909730
8.045748
6.858856
7.394824
6.229892
8.075734
10.040393
7.535289
10.131066
8.737430
8.799419
9.936559
10.441625
5.485570
7.859035
6.130497
6.376097
10.237696
7.277082
8.408769
7.581891
7.748789
7.013062
6.667959
6.211280
8.847713
8.100497
9.272774
7.007080
7.932279
8.602588
7.165899
5.960906
7.362560
8.918027
7.601459
5.789880
7.012696
6.000824
9.288400
8.849178
6.857906
7.008667
8.266396
6.916868
5.753258
7.442885
5.431471
6.659047
9.298166
7.656026
8.084262
7.961592
8.236503
8.170949
6.607181
6.058824
7.890057
9.543794
8.418027
6.054552
7.068621
7.204123
9.023759
9.747536
7.767129
6.259636
7.975021
7.456572
9.603244
9.764382
6.560427
8.107105
7.381252
6.441649
9.772439
8.807321
9.304651
9.086261
8.359554
5.794290
8.211600
# Label of molecule (38)
0.084023
# Number of Instances of molecule (39)
5
8.892556
9.150156
7.232150
7.981192
11.608708
7.117244
10.474358
6.895757
8.315478
7.285939
8.695500
7.342599
8.065389
6.849576
10.279763
6.985889
9.231794
10.316563
10.961270
10.931832
8.650840
5.459214
6.853501
6.510147
9.089922
8.070664
9.952216
7.385835
7.458169
10.360820
5.814463
7.207816
8.545381
8.271935
7.748726
6.590365
7.308527
7.205618
5.823252
9.061144
5.735725
5.410764
9.296625
6.664098
5.762215
6.343043
5.885266
8.507782
6.833903
7.368099
6.704016
8.362026
6.249657
8.215293
5.852062
8.934675
5.587405
6.796548
7.024339
7.703558
7.577456
7.233573
5.961684
7.272027
8.086993
6.517975
8.044877
8.868999
6.616001
9.061144
5.712043
8.927961
8.945173
7.453795
7.606143
6.675573
5.981094
8.159627
6.017838
6.151387
6.384182
9.049791
8.414396
8.098224
6.842204
8.617283
6.054338
8.218711
8.369594
7.745552
8.686865
6.591708
7.029466
7.393246
8.957747
7.354915
6.391018
5.928480
8.507904
9.061144
7.246757
8.051958
6.234031
5.566408
7.291192
8.230308
6.327052
8.908918
7.503113
8.145100
6.586215
8.779275
6.862224
8.021317
7.382138
6.674108
5.151357
7.321467
5.641728
5.602298
11.121433
9.108432
10.969817
11.860469
8.011231
9.161901
11.114963
10.218696
11.571398
9.106235
9.404828
8.976836
10.407910
8.781884
10.928922
9.310099
8.089480
10.019471
9.198279
9.511521
11.148656
10.048524
8.048708
11.756706
8.731956
8.588397
10.631062
9.236366
8.272958
9.490890
# Label of molecule (39)
0.173193
# Number of Instances of molecule (40)
5
7.796250
8.784851
9.812424
9.630612
9.918204
8.781175
8.512798
9.095277
8.802817
6.983492
7.420022
9.173726
8.859317
7.347790
9.516916
9.018518
7.276266
9.844604
8.545225
8.595762
8.800296
8.290431
9.247951
8.378048
8.348367
9.738586
7.056231
9.115222
7.774189
7.783331
9.439528
7.367199
8.247353
9.285592
8.444990
7.782861
7.343150
9.518876
8.028352
6.864742
6.518784
6.403302
6.154637
7.524308
6.773064
8.544481
8.895932
7.867702
8.527635
6.722159
7.715842
9.474319
9.266060
6.916379
8.434736
6.762078
7.542009
9.355541
8.747612
8.812799
7.171438
7.031175
5.881848
6.572420
8.307581
8.027543
9.110950
6.312769
7.260674
9.061144
6.788003
8.478729
6.135884
7.470031
9.027207
7.334407
9.454588
9.423704
9.766976
9.174551
7.375301
9.389035
7.848460
8.036210
9.597049
9.682989
9.459960
6.435453
6.814615
7.485656
6.777108
6.860851
6.171010
7.054216
8.792917
6.130482
6.855480
6.977798
6.128162
8.548891
7.041765
8.825877
9.747536
8.224174
9.427702
6.615360
6.839610
7.232810
8.437925
9.749123
9.977279
6.272942
6.739387
9.415250
7.956587
6.404416
8.123585
9.011551
7.191183
9.249718
6.632038
9.126133
9.888852
6.430494
6.510575
7.908811
7.960204
7.635365
7.225074
7.441755
7.022675
6.738243
9.317789
8.947295
9.826716
7.602527
6.863979
6.252388
6.251656
6.332713
6.568926
7.630482
9.259438
8.362438
7.545152
7.727775
6.213080
8.564348
6.643147
8.952788
# Label of molecule (40)
0.270770
# Number of Instances of molecule (41)
5
7.972196
8.001469
7.732701
10.057675
12.165379
7.985711
10.908464
7.964678
8.093262
7.325504
8.874480
10.123178
8.055082
7.569914
11.923379
9.728573
8.240699
9.663321
7.894624
8.048345
8.895266
7.824766
7.977093
7.935882
5.919520
9.293871
7.257424
8.662557
7.679306
9.160973
9.578326
8.740532
7.200323
9.117740
7.293222
5.817591
5.949065
9.518876
7.432508
7.171392
6.967040
6.683828
8.477584
6.063204
8.091342
9.117374
7.288095
8.188635
9.611896
6.945921
7.318491
6.504624
8.732719
9.570635
6.919919
9.425367
7.058840
6.872677
7.103641
6.257668
7.740867
7.357799
6.428816
8.162267
5.968841
9.272774
8.284219
6.839595
8.193640
8.760186
6.305887
6.072481
7.041627
5.540361
6.459212
5.907926
6.654653
5.670003
6.516953
5.761437
6.093356
7.807154
9.209540
7.006592
5.826868
5.843837
7.398206
6.118015
8.683401
7.780419
8.433439
8.513764
8.365078
8.893170
6.601718
5.635380
8.112506
6.781167
7.829173
9.061144
5.398190
8.748756
5.231437
8.438688
8.409146
6.604038
6.076189
5.154408
7.994583
8.770730
6.373806
6.036271
5.505127
7.812815
7.555116
8.423429
7.652409
5.517701
6.609165
8.477752
11.919675
9.475753
9.702200
11.413678
11.002167
8.782495
8.549089
9.431318
10.446608
8.310434
8.531022
10.534623
10.201483
11.103610
10.149724
10.512528
8.503800
8.846828
8.925443
10.514359
11.657826
11.006561
9.922422
9.514573
8.899442
8.337535
8.296152
9.331339
11.722770
10.632527
# Label of molecule (41)
0.214021
# Number of Instances of molecule (42)
4
10.346640
7.353376
6.981693
8.075459
9.505526
7.640642
10.864128
8.988226
7.720823
6.551963
6.566711
7.443987
9.040741
9.044002
8.924874
8.729468
10.975979
7.062369
9.493018
11.046391
7.797391
8.126520
7.041154
6.408685
7.686586
10.294959
8.290247
8.227433
7.077316
8.212162
8.383511
6.347926
5.732795
6.343043
9.433226
6.703406
8.703589
7.051683
9.094836
9.061144
6.219749
9.093982
7.611270
8.834086
6.687292
8.176717
6.170797
5.665288
7.864208
7.223075
6.922895
7.327448
7.201102
7.611270
9.360225
5.645634
6.734535
6.875408
6.942793
6.819742
6.392850
9.071764
6.267113
9.933241
6.219016
6.680212
8.030107
8.282800
8.631077
9.061144
8.292199
6.353420
9.674078
6.224265
8.095538
6.352931
9.741218
9.264763
9.081164
9.529298
9.026597
8.949446
8.765358
9.597171
6.344874
9.329218
9.372188
7.626774
9.193228
6.747230
10.858119
8.549333
8.584490
9.112461
10.876675
10.305612
9.996033
9.504807
9.640431
8.829371
8.342662
11.589709
10.465529
10.820765
9.521897
11.919431
11.919187
10.419996
10.775842
11.410382
10.708457
10.483230
8.905911
10.958098
10.938932
9.880062
9.042146
11.512436
11.613514
11.190771
# Label of molecule (42)
0.184034
# Number of Instances of molecule (43)
3
9.882406
7.153801
9.595773
8.929002
10.635131
7.209327
8.721665
6.933508
10.447214
8.782813
7.032585
7.558130
9.353632
8.280431
11.402820
8.158813
7.507261
8.955215
8.122145
8.244930
9.399402
7.331397
9.328390
7.829159
6.316650
11.445960
9.891847
8.019006
9.202499
7.681553
7.114383
8.057649
7.055788
7.389782
9.538530
9.272774
7.926298
7.098636
7.394055
6.742424
8.184118
9.693197
7.042482
8.730644
8.601978
6.993164
7.497208
6.838252
9.464919
8.139561
7.072268
10.093356
6.560411
9.725425
10.057222
9.593463
9.628986
6.170873
7.787133
8.581225
5.413572
5.745491
6.265893
6.324122
7.201468
9.084460
8.165609
5.345332
8.589572
9.061144
6.675939
8.145466
6.910932
7.451109
8.445524
5.624516
7.005783
6.612949
5.459227
6.842814
6.558016
8.515595
5.216422
7.590396
8.457610
7.319147
6.368313
6.199606
6.557894
6.386990
# Label of molecule (43)
0.238693
# Number of Instances of molecule (44)
3
8.032517
7.009267
9.499171
9.426643
11.189958
6.624512
10.080724
6.914721
8.735048
8.606271
7.076885
7.426112
7.861656
7.319215
8.375138
9.601797
8.259661
8.759576
10.758467
11.016742
9.812651
7.361024
8.916683
7.008052
8.386058
11.163589
6.952680
9.186013
7.516067
7.424624
9.804300
6.478759
7.196310
6.459349
9.756569
7.501251
6.318232
8.505676
7.310572
8.083422
8.718940
7.470855
7.920820
10.156240
8.364193
6.630131
6.617435
9.135945
9.559786
9.688940
8.907788
8.476379
8.396420
8.518250
7.232810
9.681738
7.436064
6.290155
7.853801
7.156026
8.635594
6.856120
6.141499
7.038377
9.046373
8.566134
8.770852
6.553865
7.139210
9.061144
8.784890
9.333857
6.536775
7.679144
8.136067
7.261284
8.182699
7.567690
6.455962
6.692785
8.181845
8.423429
8.938459
5.881237
6.193625
9.692633
6.463652
6.798135
7.256645
9.608524
# Label of molecule (44)
0.138107
# Number of Instances of molecule (45)
3
8.517871
8.328099
6.424540
8.514080
11.294562
8.110274
10.275869
7.246220
7.921020
8.190044
6.579149
7.344342
6.170582
9.258207
8.215153
8.144139
10.838302
8.904914
7.390836
8.395600
7.973681
7.275125
9.003981
7.329940
6.842991
7.967016
8.451588
7.713216
8.215913
10.610009
7.812555
8.541948
9.279641
9.079928
6.633808
6.896268
9.873409
8.423170
9.942991
8.310984
8.877529
8.171087
7.423017
7.616626
10.172613
8.251411
9.715323
6.502945
8.698447
7.619922
9.533311
10.276864
7.252724
8.529618
7.239051
6.860622
9.687124
8.228950
10.254769
9.910276
9.052232
9.290765
9.211905
6.538972
6.891156
6.581576
5.758431
8.062456
9.195303
6.001968
7.015793
6.342311
6.585971
7.274957
8.253990
6.376492
9.466796
6.822306
6.345241
7.374447
7.325617
8.960433
6.249901
6.963668
7.497864
6.336085
6.900555
7.826243
6.765419
7.481750
# Label of molecule (45)
0.134341
# Number of Instances of molecule (46)
3
8.517979
6.610123
7.864236
6.801018
10.756517
7.913680
7.186025
7.584350
7.397557
7.591652
5.385477
7.641751
6.861194
8.361793
9.618426
8.960363
9.313619
9.255573
8.288158
7.405288
9.409902
5.801753
9.539167
8.474149
7.764725
10.643081
7.441753
6.232011
8.851366
8.808735
7.284600
9.290765
6.796060
7.404477
8.393643
6.429472
6.461699
6.108783
6.983322
8.085040
7.940992
7.264214
9.467895
7.087451
9.527955
8.830180
9.139760
7.455016
8.595676
6.374294
6.240135
6.255028
9.677618
6.209861
7.271416
8.862896
8.978622
9.370479
9.425413
5.994766
6.179693
7.063631
8.665731
8.271310
6.888821
9.185644
9.762200
8.474807
8.861049
6.829859
8.877529
7.077914
8.308542
6.997101
8.532182
9.834223
8.662557
6.919462
8.009095
9.616443
7.079989
9.608264
7.372845
8.742759
7.193640
7.800592
6.917753
7.137974
7.978576
8.680746
# Label of molecule (46)
0.118393
# Number of Instances of molecule (47)
3
6.602384
7.999448
7.130555
8.927217
11.529369
7.655718
9.223738
6.073989
7.837402
5.836721
7.755033
7.938228
6.697067
8.171944
10.239888
9.441573
10.024532
10.371538
8.771827
10.973479
10.475693
6.987896
9.354723
7.200861
7.368616
10.762389
7.571192
8.670446
8.059829
9.124582
8.116657
9.290765
9.226310
8.203818
9.438597
6.639927
8.259972
7.082812
8.248863
8.522309
5.874035
8.467742
6.670812
9.066881
7.440733
7.472594
7.645207
9.032945
8.974960
8.992538
5.852428
7.702948
5.835093
7.327448
9.035630
8.207236
9.260369
7.924635
6.094501
9.151357
8.196127
9.290765
7.098071
7.564882
8.078448
6.930708
7.556703
6.187155
5.909680
6.912519
8.327845
6.265160
8.765481
6.748207
6.608310
8.457732
8.080767
6.762734
8.249962
8.481780
8.261681
5.926160
5.647099
6.174093
8.694555
6.114399
6.461211
7.671453
7.528138
5.675054
# Label of molecule (47)
0.079862
# Number of Instances of molecule (48)
5
6.641634
7.630674
6.918003
8.703713
11.020238
5.537813
7.066372
8.283258
9.294843
5.310137
7.826749
8.625423
5.671401
6.172615
11.467981
6.769992
9.228002
8.646622
10.282501
9.607417
7.664036
8.022536
10.287564
7.740948
8.886556
10.679901
7.900642
8.673663
7.030204
7.511268
6.063738
5.126331
5.834483
6.779214
7.285943
7.688910
7.069994
7.138112
6.321070
9.061144
5.280023
6.832804
6.602573
6.120869
7.618961
5.569338
5.244011
8.924909
5.353877
6.986129
8.746437
8.970321
5.802011
6.036637
7.133351
8.295129
7.384213
8.149129
7.392758
8.787576
6.206656
8.191702
9.409879
7.108417
8.189016
7.526887
7.734046
8.817698
9.146687
7.936934
7.101581
8.261528
7.051653
10.156240
7.617954
8.922315
8.240410
6.608646
9.278649
7.944502
7.057024
6.859142
9.343715
8.206961
6.927381
6.899182
9.829569
9.167440
7.737587
9.645482
5.660649
9.290765
7.950270
6.662755
6.694983
7.274957
6.697058
7.675726
5.818125
6.277001
6.429106
7.984329
7.259819
8.231162
6.671667
7.940626
5.797372
6.772988
6.117084
8.789773
6.337306
5.878185
9.437742
9.428465
7.926344
9.336299
7.213797
8.938215
9.067614
8.435148
9.273797
9.290765
6.452177
6.489044
7.386288
6.847331
9.064684
8.681372
8.402432
7.792306
6.227439
5.641972
6.527985
8.603732
7.354305
7.687323
8.200400
6.972579
7.803415
6.756020
7.607120
5.629276
9.127308
5.857189
5.634281
6.004532
7.439512
9.290033
9.121082
7.101978
# Label of molecule (48)
0.124288
# Number of Instances of molecule (49)
3
8.678085
6.287966
6.576002
7.622222
11.255768
6.249266
8.722642
6.424526
9.359690
6.457999
7.917006
9.382651
7.369676
6.694778
9.345139
6.838937
9.937651
7.633706
8.704341
7.515925
11.166736
6.562824
7.670498
7.905736
6.150669
8.436120
6.948276
8.173562
8.559562
8.127828
7.907254
8.268960
8.590136
9.597247
9.565630
7.380139
8.454268
9.518876
9.636921
8.040925
6.769280
7.391736
9.717612
6.848018
9.059877
6.629383
8.141148
6.397443
8.434370
8.137364
6.178198
6.409284
8.407025
7.137577
10.073702
8.969543
8.493332
8.296304
8.293374
9.763268
8.615558
8.433424
8.315867
6.138066
6.897000
6.396252
6.516373
8.041200
5.745231
6.843043
8.877529
5.446272
9.331889
7.664846
6.168096
7.083041
8.576739
6.029908
5.972411
7.294351
8.536576
6.945219
8.197821
5.797845
6.628559
8.935759
6.358531
8.752037
9.065767
6.715842
# Label of molecule (49)
0.077101
# Number of Instances of molecule (50)
5
6.972463
8.235832
9.045335
8.664125
11.711890
6.554078
9.282039
7.340845
9.151286
5.693775
7.650564
7.624165
6.277699
9.244947
9.588520
9.058439
9.994997
9.224190
9.742268
7.417402
9.263364
5.520584
10.398872
8.394435
7.399872
7.785066
6.692729
6.628314
7.085131
10.877797
7.827692
7.925108
8.574053
6.647481
5.245582
5.409040
8.919034
8.461989
6.634785
7.958678
8.877529
5.536851
7.882382
8.114078
5.467391
6.496841
5.206397
6.191046
8.062441
9.001556
6.594256
7.165197
8.028382
6.344249
6.355235
5.329203
7.663503
6.263314
6.668233
7.100009
8.071596
8.424024
7.654836
8.416456
8.311594
8.698813
5.429182
8.014100
8.576128
6.734764
8.877529
6.165288
5.453230
7.598560
5.990112
8.612751
7.639576
5.862178
7.734550
5.833003
8.815149
7.176061
8.628132
7.823908
6.635029
8.612995
5.617786
6.101077
7.713431
8.162542
9.084078
8.357738
6.829615
9.242775
8.354930
8.751793
6.151372
8.552446
9.576891
8.764855
8.877529
6.730491
8.507279
7.083285
9.189673
9.481185
8.289987
7.129795
6.367077
8.442091
5.766839
7.322794
8.298898
8.158269
6.907254
9.108982
8.298166
7.267739
7.229286
9.144749
7.232963
8.144978
6.052263
8.412076
9.853038
5.908338
6.523713
9.159780
7.973464
9.061144
7.549989
6.862102
6.990280
7.002609
8.722510
6.028703
6.463042
6.599887
8.351894
7.801828
7.864208
7.133351
5.916028
9.118030
6.446074
8.017167
8.814676
7.080493
7.099658
7.668401
# Label of molecule (50)
0.156985
# Number of Instances of molecule (51)
3
9.904460
7.221872
9.028775
9.480583
9.469112
8.230882
9.116175
5.943817
7.698644
5.235660
7.320594
7.560339
7.600713
8.829787
11.918273
7.556221
10.337467
8.301193
9.394951
10.261318
7.457762
6.279827
9.227704
7.550061
7.243696
11.053964
8.475435
8.998137
7.456958
10.931170
7.912305
5.914319
8.881695
7.580508
5.853648
7.430113
6.870891
8.759377
7.460265
9.061144
6.301538
6.485870
6.840495
6.875042
9.825694
7.057054
9.530641
9.400632
6.625523
9.613163
8.816385
5.951308
7.952101
6.878338
8.828471
9.254509
5.870861
7.895703
8.785867
7.257988
8.849925
9.081378
7.873699
6.384274
7.443144
7.460356
7.260033
7.441923
7.707923
7.864910
7.988571
9.010331
9.747536
9.428556
8.047777
7.708777
6.323359
7.867351
7.156148
7.714026
7.864788
6.740730
6.486938
5.939924
9.251183
6.017808
6.602664
6.208243
8.743110
6.822275
# Label of molecule (51)
0.135114
# Number of Instances of molecule (52)
5
7.035519
6.480252
7.622604
8.531662
11.696951
8.292058
8.832578
8.341845
7.040155
5.195608
5.072165
8.546597
7.182246
7.762642
11.638542
8.318389
8.707976
10.024663
9.308151
8.346915
11.087750
7.674129
8.094707
6.540394
9.019035
8.282382
8.553635
6.974793
8.352624
7.626678
7.272759
7.417173
7.874950
7.174734
5.482421
6.135029
6.685583
8.977767
8.547700
9.061144
6.958907
7.325373
7.390561
9.388058
7.864452
9.211295
8.258141
8.937605
8.059038
7.632145
5.857555
6.259423
7.740913
7.746406
7.798166
8.941145
5.696417
7.179617
9.211051
7.504089
7.190924
7.026734
9.502274
7.484146
9.336863
9.272774
7.906156
7.510880
8.757988
8.191931
8.261147
8.350993
9.099307
8.845271
9.965423
8.004547
7.951079
8.621387
9.118717
8.893246
8.922666
9.523881
9.014832
7.704978
8.021516
9.668172
8.625294
6.388653
9.210517
7.365734
9.096652
8.243233
6.187994
7.543992
7.171545
6.321421
9.141942
5.660024
8.611774
8.559526
8.877529
9.114231
9.003143
6.729759
6.989532
5.506577
7.998108
6.132206
6.490127
6.777245
8.327097
6.067751
6.736961
6.738182
8.114322
6.523820
7.355876
6.754662
5.373150
6.445204
7.881787
9.290765
9.347896
6.633091
9.363399
7.302179
7.668035
9.376095
5.719855
8.731544
5.692022
8.987411
7.697211
6.906659
9.180898
9.261711
7.728828
7.382015
9.526612
7.750679
5.884777
8.600070
7.120167
8.984237
8.124958
7.763741
6.710120
8.837870
7.732002
9.295038
# Label of molecule (52)
0.181637
# Number of Instances of molecule (53)
3
8.470579
8.362505
8.811377
7.317169
10.288950
8.058488
8.067207
8.336921
9.373875
7.216311
5.319031
7.245758
8.508260
7.162977
10.847856
8.924865
7.657810
9.264030
8.606848
10.893991
10.195099
8.278503
9.634874
6.705789
6.785076
10.392629
8.665243
6.825946
6.956896
8.529510
10.904996
10.380444
9.143712
8.952788
10.273019
9.319742
9.440229
8.771508
9.889706
9.082675
9.683645
8.466445
10.725059
9.667898
9.837825
10.189276
11.873775
11.635243
10.960173
11.345439
11.592395
8.347789
11.796381
10.722495
11.546373
8.205817
10.524613
11.797967
9.643361
8.747703
8.828394
10.493240
11.031587
9.512131
11.213965
8.403821
11.598621
10.345531
8.920316
8.835841
9.160436
10.140690
9.004669
9.859798
11.656606
11.986816
11.847652
8.822291
10.037416
9.284951
8.378063
11.025849
10.547563
9.814631
11.508530
11.399640
11.157079
11.979247
11.155126
11.038301
# Label of molecule (53)
0.080487
# Number of Instances of molecule (54)
4
9.509716
5.475984
6.021551
9.216089
8.205924
6.999148
7.626334
6.479568
8.048046
5.171959
7.546001
7.900471
7.343472
8.769450
9.412853
6.536076
8.342291
9.758915
10.657640
8.488701
8.423098
5.397074
9.720291
7.747220
9.019444
9.211742
7.998178
6.574961
7.338409
9.315430
5.783532
9.260933
6.837031
6.905881
8.257973
6.715567
8.438520
9.518876
7.674215
8.028962
5.839076
6.423566
8.153233
8.872005
8.158849
5.604205
9.021912
8.263222
7.446669
8.866146
6.366924
8.226112
6.622425
5.646199
9.582232
7.595111
5.596271
8.409711
6.781365
6.345683
6.615986
6.483535
8.179144
9.022919
8.401318
7.899472
6.002808
5.545885
7.351482
8.489456
8.877529
8.615925
7.565722
7.681204
7.016266
8.533891
5.563829
6.667989
7.120640
5.308817
8.278512
7.753349
6.258187
5.656240
9.038423
6.844508
6.921415
8.580645
7.419965
7.470504
9.224479
7.080615
5.906751
6.612094
6.152486
5.698004
7.490783
8.746071
8.810404
9.061144
6.265893
9.547121
7.244072
6.947920
8.258019
5.976943
8.635472
6.819742
9.039048
6.092669
7.731025
8.853984
9.543825
9.231315
6.263817
9.124744
8.065020
5.780770
7.241874
7.308039
# Label of molecule (54)
0.059981
# Number of Instances of molecule (55)
5
6.722491
5.542179
6.563885
9.923168
8.434346
5.436467
7.946764
6.889184
7.719228
5.213918
6.251155
7.069589
6.026559
8.860828
10.764338
9.217260
10.524332
10.186805
9.832173
10.818426
10.300336
6.936145
8.639298
6.265140
8.956013
11.271421
8.297981
8.814518
7.700000
10.113365
9.564623
10.576617
9.343669
9.130284
10.994842
9.232337
9.988464
8.161992
10.080996
9.026154
8.136235
9.924863
9.083285
11.764397
11.102145
11.330790
8.280892
9.416913
8.569231
9.660695
8.380016
11.808832
11.149876
8.862209
11.069552
8.490005
10.529984
10.712241
10.101260
9.661550
8.362865
6.125126
5.881466
5.760125
6.747703
6.561296
6.520035
6.676901
7.627613
7.441939
8.877529
6.268197
7.394330
6.541643
7.960997
8.514115
8.876553
7.357830
7.032624
5.416120
7.435347
8.738487
7.357585
6.732078
6.207892
7.690603
6.536882
5.576525
8.874355
8.242744
9.057695
7.972213
9.382656
7.504547
8.325251
6.664190
7.902997
8.917554
8.182913
6.995621
7.223411
6.259026
9.747536
9.428556
6.386837
8.045946
6.491211
7.206076
8.078051
5.969222
6.023789
5.918073
7.558870
8.065600
8.024339
7.247337
9.189169
6.755745
6.694830
9.768899
7.724311
9.290765
6.664830
6.434843
6.474761
5.948256
5.501953
6.564608
7.915967
7.079150
7.835520
6.937544
8.483978
6.551180
9.088000
6.075945
8.387906
5.572146
9.210562
8.328944
9.080309
6.192770
8.805765
8.480926
5.875378
7.989700
7.835520
6.227805
8.091510
8.803690
# Label of molecule (55)
0.133626
# Number of Instances of molecule (56)
3
7.327850
6.306768
7.956829
9.000028
9.276351
6.184897
10.723183
6.930638
7.408755
7.039607
8.062603
8.425047
7.495396
6.800444
8.477256
9.104078
8.387226
8.539232
10.805834
8.464820
9.221245
8.109782
10.127904
8.813335
7.165966
9.652632
7.597939
7.069354
8.864574
10.559062
9.092395
8.400479
9.197867
9.036607
7.748360
7.363338
9.860485
9.149892
8.461028
9.061144
7.576846
6.028336
8.066607
6.706702
9.287225
9.636967
6.358303
8.315271
7.562319
9.894055
7.464415
7.201590
8.088702
6.666173
6.406522
9.063829
9.019028
9.285150
9.712409
7.027146
8.957472
6.024766
7.209006
9.479339
8.114917
7.890667
6.906384
7.524812
7.578768
6.533204
7.653844
8.054369
9.747536
8.576601
6.803232
8.050829
9.035234
8.833445
8.489685
8.056688
7.187155
7.990524
6.553713
8.855174
8.775460
9.879254
6.329340
8.674871
9.749367
9.707984
# Label of molecule (56)
0.159062
# Number of Instances of molecule (57)
5
9.306393
5.554391
6.169277
9.751117
9.699583
6.024602
7.246925
5.641233
9.039831
7.035220
6.686817
8.403737
7.643320
8.952413
10.125005
6.767510
7.734693
10.248234
10.595903
10.689676
9.291715
5.568391
8.125135
6.882412
9.142525
8.849992
6.642779
8.975925
9.190941
8.670336
8.766900
6.740715
6.316630
7.710227
8.852474
8.091220
8.528733
9.518876
6.394513
6.415876
8.210852
7.478530
7.870388
8.296426
8.663991
7.901517
7.218879
7.902860
8.459395
8.923032
9.901822
8.789972
7.494888
9.872524
6.548814
6.560533
7.575091
7.698752
7.565203
8.272134
7.899243
6.283715
9.585574
6.633457
6.395535
7.471374
6.875530
8.004471
6.486236
9.061144
8.403165
6.660802
9.090442
8.452605
8.768777
6.191671
8.476165
6.286401
5.948622
7.505676
7.507874
7.677557
6.038835
7.138966
9.480590
7.316584
9.522340
9.618412
5.912976
6.313379
9.767266
6.744713
9.888852
6.821619
8.937407
7.255837
6.815638
5.993957
6.704917
6.907193
8.597308
6.193548
6.774621
7.385723
9.227332
6.505081
9.587573
8.771020
7.680776
8.329356
6.754723
6.206977
7.345561
6.627766
7.079562
9.441084
7.976806
6.223945
9.538987
9.103916
8.931608
7.938536
9.716910
8.425245
7.585498
6.868435
8.261422
6.622578
7.455000
8.737754
8.877529
7.946226
7.374554
8.988739
9.045747
9.195654
7.801325
8.108829
6.333750
9.982055
8.437452
7.740165
8.514969
8.911344
8.438185
8.654866
7.210120
7.822443
8.581988
6.473891
# Label of molecule (57)
0.147496
# Number of Instances of molecule (58)
5
9.278297
7.602083
7.687126
8.241711
9.013834
6.345288
9.723816
5.721482
7.753358
6.018575
5.134376
7.788852
7.108534
6.959148
9.257123
7.433113
10.892200
10.358740
9.956913
9.253355
10.573580
6.651513
8.025444
8.080438
6.090098
10.609010
7.506096
7.968768
9.138106
9.354016
7.236091
5.862758
6.934812
8.584765
8.728202
9.272774
8.790216
9.121158
6.939085
5.986419
8.042268
6.080294
9.228706
8.740165
7.576067
9.483352
7.806665
9.067446
8.580370
9.244575
6.716666
8.794122
8.606128
7.755394
8.687796
9.054262
5.678915
8.428510
5.726890
7.206305
7.079104
5.771203
9.251900
6.760857
5.933073
9.272774
7.708884
6.455916
6.986572
5.593463
7.234138
6.698599
7.761132
7.237922
7.083254
7.057619
7.780663
9.113956
7.812037
7.569109
6.993042
6.713370
6.271950
7.507828
7.058473
6.817988
7.660421
7.119388
7.380383
9.101505
5.667592
6.920560
6.340831
7.228065
7.416669
6.181768
6.560686
7.694510
8.906339
5.377544
8.877529
5.792352
7.288614
8.874233
7.136509
8.481765
6.370739
8.547075
6.979400
9.264260
6.473159
8.648762
5.776727
9.142064
8.156438
6.201788
8.616413
7.537156
5.688589
9.288797
10.826502
8.311167
9.362590
8.603900
10.612995
10.422437
9.490646
10.751427
9.491623
9.933042
9.851863
9.322916
9.714164
11.165014
9.099765
8.513810
8.339244
8.554949
11.680654
10.635090
10.529008
10.210150
8.702902
11.259987
11.712638
11.987304
9.863704
11.330668
8.491958
8.471816
# Label of molecule (58)
0.117165
# Number of Instances of molecule (59)
3
8.854599
6.700257
8.407176
9.366889
9.110697
5.760928
8.118729
6.033224
9.731276
5.294593
6.150733
8.790938
7.362075
8.369605
8.745438
9.819097
8.546164
10.225087
7.928654
10.766626
10.012509
5.702194
8.823189
6.400086
8.185756
10.174814
6.937212
6.550257
8.850375
7.932705
7.791177
8.320002
7.525422
9.352992
8.560610
8.638005
6.950941
9.306482
7.707678
7.783731
8.513123
8.343684
9.747536
8.684027
8.408383
8.933058
7.020280
6.549928
8.598086
7.326075
8.622990
7.622471
8.328425
8.596133
9.863262
8.973098
6.613529
8.418760
8.612980
10.233390
7.942579
9.137684
5.367428
5.325556
5.363765
5.706183
8.983749
5.683477
6.176412
9.061144
7.156423
5.914075
7.132374
5.593509
6.848430
8.643773
7.914502
6.475249
8.861309
8.371670
6.755165
7.341853
5.543947
8.946394
7.578066
8.029862
8.461882
6.783609
9.039171
7.244804
# Label of molecule (59)
0.195827