# Number of Dimensions
166
# Number of Examples
92
# Number of Instances of molecule (0)
5
10.597260
9.096312
9.686261
10.688970
12.522619
9.078566
11.433348
9.321319
10.512459
8.869815
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10.045784
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9.950010
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10.692763
11.714979
11.185854
11.721481
11.779595
11.969246
8.990650
11.092654
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12.387561
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11.310346
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10.899211
10.044023
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10.373744
12.662689
8.877537
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12.570709
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8.940092
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9.163717
7.625217
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7.565035
8.788095
5.384548
8.737556
5.638951
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7.521455
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6.754341
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6.913648
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7.217368
5.983077
7.785012
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6.265801
6.550233
8.020859
5.358547
9.020524
8.225089
8.703497
7.742042
6.180227
7.749245
8.608036
6.155568
8.089953
6.562929
5.406888
7.146077
8.796030
6.175222
7.316126
7.183920
8.626347
6.589663
5.701453
6.068163
5.668004
6.658879
6.022019
6.950392
8.519288
7.244957
8.484130
6.848949
8.688604
8.058092
7.780251
7.531831
9.019059
7.050493
7.290490
6.641057
6.509217
5.241234
9.118915
6.934278
5.908979
5.843547
7.340907
7.518769
6.462706
6.573305
5.837321
6.952345
6.176687
6.011887
8.088000
6.086718
5.984542
6.898633
8.302973
8.528321
6.186331
5.227683
7.262902
6.590030
5.535554
8.025864
6.247490
6.612003
7.350551
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6.422666
5.523103
7.023148
6.712592
7.064898
8.520264
5.301904
8.821299
5.996628
7.739479
5.723182
6.149709
7.607028
7.795267
8.565432
8.576296
5.833781
6.060472
7.702368
6.945143
7.481292
5.565096
6.729682
8.102405
7.249351
8.385739
8.739753
5.608921
7.847636
7.402921
8.119495
7.010941
8.571780
8.301386
6.748238
8.537355
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7.685644
6.967116
6.104175
6.189505
7.190023
7.697607
5.497101
5.737465
5.453764
8.084460
8.609745
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7.840068
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6.405423
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6.564364
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8.065386
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8.450774
8.854106
6.540193
7.096118
5.523316
8.516205
8.406949
7.646184
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8.908795
7.053636
5.615116
6.228294
7.157155
8.516572
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6.238670
7.391415
5.389767
6.601230
5.526734
7.427549
7.109912
6.250267
8.671850
7.737983
8.182455
8.744240
8.192221
6.502106
7.278253
6.561312
8.151326
8.035478
7.554262
6.028092
8.296228
5.101917
6.913129
6.830119
7.031419
6.342555
6.036149
6.827677
6.604282
8.697607
8.564058
7.052049
5.875378
8.694189
5.801523
5.755135
8.051225
8.477996
8.320887
8.389981
8.751564
6.460356
8.837748
6.394803
7.788278
8.459441
6.736244
7.658391
6.030534
5.206168
6.617588
7.537904
6.729774
8.095416
5.246696
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6.682165
5.050890
7.272149
8.916120
8.600192
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8.911481
8.072222
8.527558
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8.436735
6.480743
5.486450
5.752327
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6.916791
6.856731
7.817942
7.839305
5.271966
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8.231285
6.265893
8.316980
7.163869
8.675390
5.548341
5.134999
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7.896435
7.476745
6.835490
6.338160
7.565737
8.630711
8.816263
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6.936811
5.348262
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7.678655
5.493286
5.699103
7.025803
7.266533
6.073382
7.730781
8.775369
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7.807566
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6.857341
6.368191
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5.837168
6.532258
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7.479553
6.380032
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8.740822
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7.982498
6.651036
7.559267
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7.924390
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6.627232
8.341395
9.216910
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7.922315
5.490967
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8.337977
8.579806
5.780160
8.981552
5.608768
7.935743
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6.434843
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7.346492
5.767098
8.507782
5.599246
5.903088
9.398190
6.953047
7.919019
7.637028
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7.995193
6.055071
7.005051
8.184896
7.531922
8.607883
7.261406
7.724677
9.222648
7.706366
8.482757
7.722358
8.425626
8.570040
6.221091
8.519135
7.868969
8.492401
6.407865
8.693823
8.034013
5.977798
9.452025
7.116749
9.313227
9.182241
6.550081
7.995804
8.316736
6.533723
5.583010
6.790567
8.701270
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6.732582
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7.081225
8.002029
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8.346034
9.013291
7.120899
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6.213523
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6.152730
8.821390
8.407071
9.410520
9.063341
6.602817
9.480712
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6.245750
5.536378
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6.998337
6.872356
6.082537
7.626164
5.675787
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6.644444
8.716041
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7.217338
8.257530
7.611515
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5.926405
6.195334
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6.985763
7.167043
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6.301904
6.859905
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6.595126
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7.390927
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6.409818
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6.106220
9.046739
7.994339
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6.051897
8.531343
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7.416807
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7.266411
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8.305383
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6.570467
6.264794
8.613376
5.227531
5.415281
7.443052
5.860485
8.822489
6.063005
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6.788980
6.988937
5.800668
8.445647
7.473937
7.788522
5.999771
9.096179
8.379971
6.288598
6.762978
7.889355
7.940138
5.989151
6.530427
5.714362
9.034776
6.176412
8.023026
5.249992
6.742347
8.083209
5.895886
8.479583
7.739570
6.728431
5.478637
6.573153
5.724616
5.310785
7.975539
6.012833
7.239555
7.032640
7.502258
8.833598
8.264245
5.228141
7.333552
6.857341
7.961135
6.672033
8.736793
7.794382
7.942091
8.941633
7.766060
9.086413
7.433775
6.709876
5.392941
5.366817
6.716590
7.842235
6.347926
5.413816
5.211905
6.173727
8.047075
8.469695
6.593661
7.840281
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5.296747
6.039933
7.935987
7.388119
6.800089
9.099231
7.435850
7.575991
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5.633183
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7.907666
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6.227439
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5.914808
6.962203
5.672735
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5.694708
6.284570
6.518464
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
5
10.460864
9.124580
9.530540
10.576974
12.568774
9.104220
11.211381
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10.402232
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10.826799
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6.731773
4.967315
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7.854366
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6.261544
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7.726676
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5.731620
6.505814
5.995544
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7.216041
8.773583
4.971465
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7.991821
5.556322
8.630390
5.355876
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6.937590
6.011658
7.265603
6.067690
7.441633
8.303476
6.025452
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6.531571
7.324808
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5.936216
6.551469
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7.275002
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6.581133
8.471206
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6.037660
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6.667806
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6.174017
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6.137883
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6.065615
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5.693884
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5.549226
6.379574
7.577853
6.470275
7.042558
8.614261
8.819102
8.994278
7.550874
7.771950
6.976760
5.940474
8.178457
6.801096
7.895489
7.636814
8.891736
6.274224
8.129139
6.527772
8.718879
5.513092
7.762307
7.999252
5.787515
5.829997
6.005539
7.506806
8.571780
7.761818
5.939497
8.883557
7.725562
8.171255
8.781381
8.702887
7.877178
9.089618
8.050523
5.571444
8.760140
8.177847
8.008042
7.225791
7.053789
6.678655
8.743416
6.309503
8.310907
8.737190
6.285577
5.704505
8.345943
7.961409
6.112842
8.292718
9.459014
7.103107
6.434507
8.021348
6.870800
6.728339
5.622593
9.149190
6.743965
8.756111
6.166799
6.546205
7.164632
6.738838
5.526765
5.924360
7.460784
8.761361
6.259087
8.871715
9.230369
8.829722
7.791849
5.566195
6.456603
8.629398
8.223258
8.046251
8.083728
5.524445
6.518372
6.908032
6.427915
8.674688
5.479156
8.309931
6.800729
7.143513
5.863445
6.154469
7.717017
7.875347
8.026475
6.327448
7.064409
7.412687
6.988617
6.612140
7.995483
7.303446
8.590960
7.952879
6.728233
6.816858
8.508438
8.009400
5.801080
7.697256
5.158483
5.370037
5.759819
6.474319
6.717734
8.571551
7.592761
7.235572
7.931761
7.643788
5.536546
6.747032
8.511490
6.524857
6.406690
6.628498
8.490005
8.216315
5.824274
7.458235
5.915220
6.555986
5.718436
5.682913
8.254036
8.483413
7.476058
8.207526
6.881680
8.671529
5.114536
5.537767
6.032655
8.402234
8.854518
6.355907
7.587512
8.557024
7.463973
6.397534
7.069918
8.601581
7.753044
6.510331
6.230537
5.436567
7.590320
8.767113
5.591479
7.991089
8.818506
5.507370
6.326487
5.432417
6.443678
6.185736
8.852321
4.870144
8.472427
4.897855
5.505783
8.424329
6.772546
5.462325
6.682577
5.538255
5.332926
6.931730
5.810480
6.408155
6.295724
6.408765
6.535234
8.403577
8.137455
6.041810
5.491012
5.356243
8.373913
5.074862
6.032655
7.592029
5.162999
7.828364
8.303476
6.576617
6.181707
8.482681
7.013642
8.057741
7.149876
7.543565
6.305734
7.571398
8.379772
4.860378
7.079806
8.191778
7.722037
8.075808
8.155278
6.397534
6.286325
5.377728
8.643330
5.931333
5.309854
5.434126
4.905301
5.525315
6.549394
5.379315
5.472701
8.369762
6.571856
5.732597
5.301920
7.198218
5.318155
5.119541
6.740928
4.865139
7.316141
5.674490
8.581194
8.291513
7.915525
5.996765
6.571123
7.650380
6.922819
8.537004
6.765343
6.672567
6.009095
6.287790
7.084323
7.942015
8.265755
7.655141
8.460707
7.059908
8.284066
8.382458
6.945891
7.550035
7.133763
5.406659
8.153325
6.382153
8.614277
5.517258
7.412214
5.986999
5.472274
7.103427
8.199652
8.476272
8.343577
7.542772
8.677206
6.404553
7.624683
7.721000
8.877529
5.462630
7.389325
5.532579
8.840052
7.012848
5.984619
5.416364
8.584918
6.126591
5.326395
6.698630
7.778008
8.377392
5.528672
5.553941
5.670400
8.437330
8.245674
6.457778
7.685842
5.353984
6.098148
9.005707
7.031159
7.382855
5.563097
5.976196
7.705618
9.247291
8.696249
6.509659
9.284036
6.705100
9.067965
8.279366
7.847591
7.294473
7.284097
8.530473
5.438337
6.133427
5.468123
5.860591
6.412610
5.650624
6.078616
6.617939
9.067232
8.119694
6.438490
7.791192
6.914212
7.872982
6.349132
6.266976
7.979675
8.071718
8.166814
6.329234
6.500015
8.904141
6.713645
7.276284
7.392499
8.088809
8.400830
7.029328
5.873653
8.558061
8.936491
7.608692
6.601825
6.195441
8.995453
6.351817
8.717124
8.503494
9.224708
6.749290
9.155614
9.075655
7.959166
8.772057
6.611835
8.748253
7.024812
8.566118
6.524796
8.307321
9.001312
7.389935
5.461531
7.624317
7.320719
7.668508
7.275918
8.097232
8.578692
8.039491
5.413434
9.271462
8.429151
7.267129
7.742241
8.514725
8.442579
8.897794
6.280038
6.622089
7.297403
8.533036
8.196234
8.226020
5.685415
7.594531
6.461318
7.885434
6.300058
7.456709
6.521012
6.729392
8.288278
7.821345
7.366863
6.531755
5.535875
7.208655
5.382550
6.088748
8.166692
5.441511
7.337077
6.777367
8.624470
5.997070
8.901578
8.168279
7.718558
6.099124
9.065523
8.568194
6.003296
8.428907
8.824915
7.366985
7.870296
6.327891
8.520463
8.064516
7.724784
8.367748
8.197821
6.852565
5.624256
6.161504
# Label of molecule (1)
0.832110
# Number of Instances of molecule (2)
3
10.515809
9.076876
9.683814
10.462990
12.258051
9.033908
11.180966
9.357925
10.362972
8.853438
8.491319
10.057708
9.534515
10.014561
12.725186
10.520991
11.502457
11.203218
11.475228
11.789996
11.913087
8.780899
11.037415
9.566920
9.830630
12.220477
10.401444
9.965566
10.801881
11.740882
12.317128
12.223366
12.081464
11.172265
11.719465
10.702059
10.115700
9.938119
9.086353
12.057195
10.028089
10.135571
12.492711
8.877174
9.261428
12.591190
11.396403
10.074454
11.820852
11.595846
12.079246
8.298712
9.623355
11.521780
9.017434
10.991738
8.388231
12.394932
9.706405
8.683463
10.333930
12.435301
10.810662
8.537575
10.587208
9.333943
10.483979
9.190476
10.279479
9.922880
11.817679
9.377519
9.860297
9.292086
7.522157
8.570785
10.497082
9.389234
8.385627
8.555765
10.853285
6.437006
7.121311
7.911546
6.136532
6.701976
11.071950
5.098582
10.230877
7.820319
10.274971
7.878325
8.958880
7.321818
9.567091
10.220633
7.656088
8.887254
8.448697
10.490471
5.336141
7.236659
6.062532
10.956762
9.286966
6.730796
6.009809
7.272234
7.573173
7.462549
9.107954
10.714410
6.479505
8.226815
7.953709
6.956614
10.900541
9.663411
9.496572
11.192888
8.502709
9.496782
5.198994
9.523585
5.784411
8.801467
7.648453
9.135217
7.688629
8.056118
8.012666
6.560764
7.275515
8.322799
7.884158
8.560618
7.791642
10.571885
7.968217
9.929421
8.210404
6.837493
6.924487
6.753694
6.911068
9.404408
7.791515
7.215346
10.102306
9.932835
8.069304
8.649951
5.709102
9.115558
6.606050
7.290757
9.085725
8.622962
7.493437
7.300452
6.769013
5.879641
10.028449
8.251032
9.798169
6.455872
6.163152
5.383099
8.208869
7.472396
6.479324
8.201666
5.842341
7.847041
5.696707
8.323252
8.357189
5.549730
8.518693
5.276406
8.493912
4.974639
8.042604
5.177770
5.911313
6.863369
6.196600
6.616291
5.822810
7.904050
5.294595
6.310373
4.937162
8.541765
6.581500
6.915006
7.578845
6.373852
5.647755
7.350932
4.863430
6.508011
8.584857
6.032411
7.803339
6.253609
6.757653
5.368816
7.216041
5.526658
6.070498
7.915281
7.315043
8.339488
8.599261
8.544450
5.852351
6.750572
6.464919
5.019684
7.693716
8.652120
5.826838
7.340190
8.695822
8.767113
4.865383
8.233406
8.764916
8.233039
7.633656
7.173559
6.969695
6.145940
5.650319
6.296457
5.583789
8.441664
5.110508
6.588580
7.932615
5.485641
7.588122
6.724448
4.920316
7.752068
6.105655
4.927274
7.111789
6.960417
8.446669
6.229194
5.242958
8.050295
5.584155
7.502426
8.037965
7.366558
5.102695
6.641560
8.203375
6.430372
7.486923
8.268075
5.479537
8.670553
5.151524
8.332896
5.620411
8.492203
6.090396
5.992981
8.177618
8.054689
6.015687
5.136631
5.965148
7.137303
6.865932
5.931333
5.079012
5.464400
5.554979
8.771020
8.344981
6.867031
6.839076
6.995331
7.072237
8.655660
8.175542
6.759728
7.987182
5.578417
6.448805
6.426466
8.220466
7.740837
6.439039
5.855281
5.224769
5.861141
4.907132
5.967833
6.497024
7.236427
6.172674
4.959502
5.979919
7.795038
7.058565
7.535875
8.018921
7.609485
7.077975
5.546312
5.748222
7.246193
5.738945
6.392285
6.781945
8.324717
6.840297
7.583117
5.083895
7.664418
7.635487
5.815607
7.894284
8.391125
8.738426
6.952727
7.764794
6.392804
7.430555
9.528031
9.872402
7.494644
8.488571
9.518876
9.856288
7.214240
6.189917
7.236091
7.297739
8.950743
6.196265
9.825037
9.425367
7.760277
6.144383
6.557970
6.848018
7.600482
8.455611
9.169622
9.157292
8.096713
7.197272
8.149327
8.269082
7.207892
7.876492
6.373150
7.385266
8.165807
9.036561
9.444411
7.446059
9.061831
8.533616
6.120701
8.949644
7.458266
7.369030
6.203101
9.014344
6.397443
9.950041
9.259102
7.557634
6.184790
9.655354
7.558245
6.467757
8.319376
6.581774
8.593432
7.642354
7.948637
6.343608
8.561937
9.768761
9.221992
6.802973
6.184179
9.722495
7.916532
9.604572
8.232337
8.457076
7.712424
7.389172
8.144566
7.261605
6.491073
7.564592
9.101138
6.259743
7.032105
7.502213
8.936216
7.027223
8.483077
6.041841
6.259743
7.200079
8.978698
6.174413
9.167058
8.950865
7.782373
9.779626
9.907071
9.207099
9.327586
7.293344
6.888058
9.486526
9.530595
7.180425
9.394971
9.224921
6.754143
8.085726
6.389874
8.470748
9.792566
6.541246
6.776727
7.822291
9.255928
7.102176
8.499680
7.481826
8.728324
7.787500
7.852931
9.301950
6.073458
7.701193
6.377789
7.699118
9.264962
9.707114
6.718619
9.309641
9.113468
9.033998
6.815790
7.262215
9.268868
8.685232
7.810083
9.943815
7.869655
8.528489
9.031800
6.130833
7.216803
8.938902
9.451857
6.364849
9.845180
7.873806
8.968078
6.443709
9.368603
8.250526
8.903378
8.905087
6.473983
6.504746
9.088198
8.378216
6.438337
7.203375
8.906186
8.676809
8.543870
6.586291
9.673544
9.509598
7.766991
9.914884
9.730674
6.682852
7.116459
# Label of molecule (2)
0.834471
# Number of Instances of molecule (3)
5
10.432440
8.998921
9.700117
10.727402
12.430040
9.013828
11.281220
9.292179
10.330153
8.676080
8.519238
10.113857
9.508780
9.806461
12.625512
10.498229
11.476827
11.078243
11.480350
11.535010
11.707027
8.814896
10.959434
9.589671
9.921887
12.331922
10.474860
10.060413
11.008116
11.824830
12.436183
12.222600
11.917500
11.308597
11.627548
10.777607
9.876894
9.827361
9.157543
11.948508
10.116790
10.355923
12.519160
8.764363
9.141633
12.501230
11.386086
10.134999
11.524591
11.623199
12.295420
8.435892
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11.436263
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10.955403
8.334170
12.542369
9.802618
8.473639
10.121865
12.482379
10.437598
8.510488
10.637625
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10.326834
9.144922
10.106355
10.045192
12.276788
9.807559
9.806035
9.775931
6.564103
7.657709
9.368041
10.666009
7.892497
9.482853
10.864341
6.327581
6.302823
8.297367
7.367833
8.309521
8.074721
6.508063
8.839594
8.534018
7.210591
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7.914672
8.316560
10.143445
11.846533
8.798666
7.705126
8.099419
9.992079
7.995061
5.809372
6.426136
9.999529
10.932767
7.747714
5.876801
6.837874
7.648958
8.677547
8.067634
7.180016
8.557857
8.885680
7.384577
9.181431
8.007101
10.632560
8.939815
11.832573
8.383543
9.021551
6.972379
8.925900
5.741625
11.040771
9.985269
9.543412
6.043098
8.032289
9.344540
6.336011
6.531688
6.875283
6.506600
10.352347
9.934341
9.799734
9.703514
7.976051
8.291077
6.022414
8.400050
7.155068
5.516376
7.398829
7.897649
6.166925
7.869212
10.341455
6.280444
7.776123
8.006378
11.766796
9.158528
8.655613
8.758919
9.702987
8.914723
6.274626
7.811533
6.270970
8.642855
7.661228
6.750284
9.238759
9.047838
5.603153
7.905835
8.872173
5.460570
6.774331
5.565310
7.946974
7.774850
6.882977
6.274560
6.510407
6.069964
8.831767
8.323206
6.094134
6.752968
5.520631
5.469970
6.866131
9.020493
7.499451
5.245964
5.826182
6.344020
6.172628
6.716956
8.242393
7.355892
7.437559
7.082934
6.205588
8.504975
8.623630
8.488006
8.176107
8.864238
5.614017
6.416532
5.396237
7.459777
7.020798
7.049852
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5.498657
6.289453
6.959639
6.022111
5.871349
8.608982
6.510895
7.189383
8.300134
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6.352443
8.027299
8.513764
7.964309
6.367336
7.496887
7.818308
7.047533
8.459319
9.034776
5.443236
8.728736
6.550691
5.535890
8.034501
7.972854
5.165517
8.206259
8.671484
8.844707
5.974380
7.153859
5.782723
7.551332
7.674383
5.601444
6.335475
5.289178
6.580477
7.587710
7.672185
5.771371
7.303522
9.037584
6.371609
6.308374
6.887005
8.074175
8.508637
5.320307
5.782601
8.448210
5.685919
7.151784
9.034410
7.958815
7.216483
7.068407
7.049852
5.742927
8.826884
5.306635
7.332331
8.305383
8.260949
9.053697
6.548372
8.167196
8.156331
7.232353
6.307031
7.005417
8.569185
8.965560
6.024064
5.160878
5.522462
6.595004
8.248009
5.387448
5.953017
6.130024
5.821543
8.718604
7.431333
6.001358
6.254418
6.326197
9.030381
6.993698
6.681677
5.247551
5.717902
6.233787
6.782876
7.852489
8.647069
6.108051
9.038072
6.929121
7.719428
6.984176
5.693243
8.261925
6.798624
6.613804
5.813852
6.576083
7.945753
7.088427
5.796640
6.724769
7.053026
8.225791
8.719581
7.993362
5.252312
8.260826
7.901440
7.395322
6.471221
6.716468
5.741096
6.557772
7.589419
7.250053
9.259270
9.130360
6.203269
9.201651
6.014786
6.194967
8.346522
6.280663
8.772683
7.350887
7.577212
5.565920
8.225059
7.157765
6.484161
7.478454
9.314203
5.460570
8.224448
6.524079
6.326807
6.017716
7.269829
6.026872
7.138356
8.308557
8.741310
8.730323
6.979781
5.396847
7.702826
7.140187
6.102802
6.723426
5.791879
7.486023
7.719794
6.702185
8.561129
7.172658
6.590121
5.998306
8.905133
7.600650
8.631565
6.359157
7.948683
6.228172
7.929395
5.875256
6.771279
5.750008
5.519288
7.547060
8.341762
8.269494
8.318567
8.029496
7.039476
8.336268
8.580050
7.432920
9.136219
8.727760
6.246117
7.053148
5.614017
8.846660
6.574374
7.905835
8.694189
5.611332
7.412900
8.940779
5.451537
8.713355
8.498749
5.811411
7.890942
6.116108
9.154164
9.073107
8.857891
5.672735
6.757363
6.686316
7.161794
8.734230
6.360988
5.700934
7.284356
5.625126
5.834117
5.992569
9.049059
8.863140
6.902753
8.931013
8.625950
5.993179
8.464202
5.851695
6.248680
7.916089
8.548799
9.208487
6.016617
6.582430
7.306330
7.279229
7.157765
5.930433
5.389889
9.302728
8.127766
7.939772
6.114154
5.919080
6.920331
5.677618
7.760933
7.791086
6.963424
9.213126
6.408841
7.278375
7.975295
8.272179
7.661809
6.043474
7.158498
5.510987
7.650090
5.460814
6.102680
8.281335
5.680303
6.706580
8.775124
8.762062
8.908795
5.402219
5.970840
8.334315
7.413144
7.688421
7.599429
8.073321
8.038163
8.603854
6.182882
9.231925
5.388302
7.642521
8.938704
5.591311
6.346217
6.367336
5.824229
7.555361
6.486969
6.952193
6.932661
8.694189
8.674047
8.941145
9.030015
8.380581
9.441649
8.845439
5.700323
7.860057
8.091754
8.030595
8.540010
8.394253
7.831614
7.636052
9.517212
7.138600
7.054857
5.568484
6.653478
5.637822
5.612552
7.290948
6.228294
7.376522
6.045061
7.353084
7.882275
7.258599
7.149953
7.539613
8.993027
5.892590
9.260613
7.510193
6.700598
7.555605
8.611179
5.806528
5.955824
6.712317
8.162313
7.102588
7.967116
5.964125
6.262719
5.570437
7.419858
6.302026
6.521638
8.239708
8.846416
8.540132
6.267479
8.223350
6.517121
6.803140
6.966964
7.686346
6.231346
8.944319
7.981033
8.430509
9.381466
8.767067
7.030198
5.972549
5.664556
8.927107
8.748390
8.989242
6.819742
7.388974
8.694189
8.003372
7.760567
6.312159
6.201437
7.188894
7.484313
8.242637
9.438963
7.167043
8.127277
6.481964
6.055681
8.669652
8.544649
6.514435
6.789224
8.945418
6.788369
9.360836
7.406919
8.782205
7.858959
5.738166
8.361171
6.022843
7.104785
7.900098
9.528077
9.447142
5.646245
8.029252
7.408872
8.895978
8.196982
6.062395
8.166219
7.513855
7.658757
7.818552
7.871654
7.982376
6.866131
8.306238
9.339595
6.621006
5.852672
9.087512
6.920698
7.230888
9.017075
8.569552
8.633885
8.554903
8.561129
6.102191
7.006027
9.230216
6.578646
6.754921
8.000198
8.108722
8.165242
7.648015
9.403317
7.818430
7.927564
8.713965
6.050554
7.442930
6.266503
8.763283
9.260735
8.192709
5.808115
5.730598
5.856090
5.943739
8.358608
5.974380
8.145955
6.518464
6.756142
9.507202
8.242882
5.583254
7.998856
8.029984
8.092975
9.038926
6.018937
6.647008
8.616413
6.270272
7.284463
6.819239
8.114200
8.775964
7.258705
5.883786
6.141118
7.820734
8.556719
9.315287
8.209052
9.483505
6.853420
8.514603
6.489395
9.637928
6.759301
6.794336
8.355174
6.120487
8.325510
7.713065
7.193396
6.702536
8.260201
6.903836
5.868526
7.742119
9.231178
9.268899
9.208350
8.389966
8.628132
7.415815
7.887265
7.226844
8.163030
7.213172
6.085086
6.203375
7.679250
8.335887
7.292764
8.761437
8.547807
9.678701
6.641499
9.009003
6.024171
7.512864
8.131901
6.825220
7.941710
8.258126
7.134312
5.770135
7.114902
7.748466
8.539384
8.674276
8.829066
6.864284
8.931120
7.781915
8.791589
7.406537
9.158788
8.325877
6.917753
6.088870
9.682119
6.405042
8.329295
6.521744
7.064852
8.042909
8.936857
7.062654
7.992248
6.300424
8.985199
8.410230
7.185827
7.318400
7.933164
6.813868
9.593005
6.164190
8.045351
8.777673
7.224281
7.359539
8.068545
9.128391
7.013947
6.960967
6.371105
8.329417
8.079775
7.072176
6.916166
6.908475
8.755211
7.659108
7.447066
8.880093
5.770623
6.545671
7.257973
8.032899
5.958495
8.464553
5.926389
8.962004
8.855800
6.036378
6.380871
8.715415
8.580157
9.555528
9.679434
6.935453
9.356059
8.452956
6.874416
6.364879
7.061678
9.316752
7.338908
7.597705
7.176916
9.339946
8.927213
7.944395
7.502731
6.073977
9.348247
8.292306
8.030213
6.362438
8.123600
5.830439
8.332591
7.328166
6.507218
8.518754
6.855495
8.290963
6.740867
9.172582
6.481460
6.489761
6.020020
7.041292
8.742149
7.484909
6.546525
6.752586
9.053682
7.113804
9.041353
6.499283
7.351482
7.877865
# Label of molecule (3)
0.829367
# Number of Instances of molecule (4)
4
10.596688
9.160831
9.471143
10.512987
12.359616
8.871967
11.354557
9.273755
10.436366
8.789953
8.710890
9.843816
9.573230
10.009232
12.444631
10.737953
11.565653
11.200664
11.792356
11.529569
11.949040
9.052088
10.952404
9.510336
9.640302
12.248806
10.657336
10.001018
11.035240
11.605905
12.229713
12.172196
12.113197
11.226746
11.466621
10.662253
9.887060
9.880818
9.232328
11.924826
10.146119
10.414800
12.412117
8.881116
9.230853
12.635615
11.476885
10.145832
11.700734
11.588920
12.463452
8.457475
9.638894
11.512449
9.362389
10.768658
8.519919
12.356506
9.650381
8.635868
10.228900
12.285572
10.795513
8.481825
10.898163
9.038534
10.363763
9.492850
10.601088
9.825434
11.859571
9.806749
8.728429
7.463333
6.525319
7.860586
8.606930
10.970709
8.643974
9.178152
7.778988
8.584408
6.128169
6.752311
8.226442
6.813214
8.554468
6.059057
7.557845
8.623010
8.484228
9.654005
9.720915
6.390128
7.817645
9.236909
8.742506
6.549703
10.558382
8.855786
5.607123
5.890351
6.709173
10.276073
7.877506
6.346919
6.970952
7.459250
9.406632
6.372410
9.519862
8.574315
7.374842
9.013532
7.776165
9.214830
10.446933
9.154740
8.309125
8.429582
6.925264
7.377881
6.613732
7.712170
6.610791
9.314701
9.179947
6.836302
6.409464
7.773650
9.594491
5.848263
8.061356
6.336878
8.600226
8.211832
8.860841
11.309104
7.852333
8.911512
8.965025
8.729506
6.562340
6.665002
5.856374
9.382799
6.683892
8.105099
8.369928
8.952962
6.389191
10.719596
7.729787
9.587706
8.175730
10.427518
8.058121
8.769068
10.573294
7.097018
6.079710
8.594398
8.030334
8.574928
7.817169
9.010494
7.192953
8.005722
8.267327
8.427854
7.198447
7.269127
9.012467
7.359951
8.742805
5.738075
6.140553
7.298669
5.751625
8.228019
8.930189
7.356166
6.654973
6.768990
8.014145
8.171621
8.397946
8.080187
5.309107
8.443602
7.756935
7.254479
8.936903
5.611728
8.835582
9.029557
7.012284
9.061174
7.614231
8.019883
8.175527
8.224967
8.430662
5.284814
6.738105
7.961531
5.264306
8.607303
8.324702
5.578890
6.700995
5.857707
5.879437
5.883465
5.451445
6.821360
5.916059
8.626347
7.300745
6.858348
6.883984
8.723640
8.360714
7.777322
5.527619
7.625340
7.504242
5.293115
5.112568
8.207633
6.852245
6.447081
5.393216
7.562716
7.191366
6.361385
8.199087
8.063219
7.196249
7.706519
6.511658
9.074725
5.331080
8.252190
6.909742
7.691137
5.306543
7.881939
5.256127
6.869457
7.966048
8.441038
5.502350
7.337245
6.475890
5.797281
5.484161
5.648717
7.696997
7.487030
7.586154
6.764718
8.609378
7.321375
6.146290
5.530183
6.667302
6.329768
5.480377
5.425810
8.959365
7.413663
8.395749
8.968398
7.047197
9.086077
9.074480
8.133290
6.359920
5.672155
6.197439
5.177145
9.017960
7.346522
6.186575
8.232780
6.960891
7.379971
8.438231
8.052110
8.256462
5.973312
6.424131
8.274529
5.462432
6.051927
8.535401
7.591159
8.919935
6.395932
8.541993
6.185110
5.849528
7.481780
5.546175
6.817576
8.129505
7.409024
7.302332
6.939650
5.626011
7.289026
8.778085
8.201163
7.955306
7.468596
7.834330
7.733375
7.549165
5.965621
5.896405
5.580477
6.900464
8.489380
7.492889
8.653691
6.863964
5.422880
6.535707
5.584506
6.885693
5.141011
5.796426
6.797311
5.166036
6.313532
7.491913
7.404630
6.155690
7.973251
8.753182
6.962600
8.669439
6.726020
4.910779
5.834269
6.976272
6.295953
6.607486
6.128224
4.999283
7.112506
7.980331
7.905988
6.292047
7.952986
6.899365
7.352138
5.756630
5.482818
8.134754
6.279717
4.979141
8.070055
6.328547
8.346187
7.057695
6.246879
7.647557
7.355556
8.796274
8.196402
6.988845
7.022416
6.142750
6.636296
7.616428
5.570101
6.742988
5.476592
8.102283
8.541261
5.486480
8.626347
7.446745
7.193442
4.920789
7.322230
5.253807
5.856609
8.406735
8.357662
7.836406
7.625828
7.891461
7.583590
5.125507
5.764565
6.173635
7.058550
5.260277
6.195120
7.536103
8.222282
7.731300
8.448851
8.619755
7.466643
5.954634
6.453063
7.415494
6.482116
8.150502
8.528443
6.248589
7.750343
7.400967
5.972457
6.628971
7.561983
5.762978
5.604038
7.844951
4.931410
7.310877
7.644017
7.173666
6.786813
4.983291
8.305780
5.583407
7.806375
8.110462
8.473144
8.804086
5.280053
7.495209
7.838481
7.638157
7.368618
4.924451
5.876751
7.391202
7.135701
7.985458
5.030290
6.292169
8.729987
5.060686
5.480499
8.782723
6.089160
5.378933
6.878857
5.546907
8.543092
6.994583
6.415342
6.160939
5.690222
5.572665
8.597415
8.231437
5.922773
6.853221
8.114368
4.903577
4.974624
7.670141
5.162984
6.611393
6.868480
8.400021
6.609684
6.942579
5.635533
5.715613
8.362545
8.499390
6.185232
8.519044
8.329951
6.622990
8.695929
5.928999
5.339869
6.863353
6.906446
6.199149
5.395779
6.063280
8.679937
7.439543
6.642644
4.936781
5.215598
7.018876
8.418577
6.997925
8.246254
9.304514
5.344676
7.607318
9.272774
8.694266
9.032289
8.801569
8.692434
8.103793
5.588214
9.220527
6.984863
5.743492
6.026215
6.592273
8.498581
5.496780
6.587634
7.588153
7.893704
6.442732
8.993469
8.481979
6.296365
6.871090
8.344401
5.489822
6.537828
8.665456
9.043764
7.663961
6.855586
5.926237
7.119510
7.216315
6.429792
7.714377
7.319468
8.147374
6.131077
6.783319
5.354930
8.053865
5.853603
8.181188
7.667867
5.991791
5.809778
5.593707
7.096072
7.268929
9.160833
7.305063
6.812494
6.041597
5.357250
7.649556
6.912595
8.592212
7.567644
5.832606
6.025117
6.159886
7.564837
7.992218
8.321329
8.203040
5.451979
6.377544
8.297891
8.963561
5.596271
7.521744
7.707785
6.213843
8.150670
7.279061
9.015076
9.056825
7.535051
8.606861
7.747826
5.654988
7.255257
7.962188
8.124790
7.766503
6.430647
6.193457
8.329997
6.958129
7.409803
5.796594
7.811060
7.375622
7.845851
6.415021
6.976562
5.941374
6.607654
8.456343
7.665548
8.858455
6.903439
8.700980
8.766655
7.293466
5.988006
5.778649
5.359691
9.114444
6.833369
7.386486
5.756798
5.557939
9.133122
9.124332
6.816156
5.702353
7.019166
8.822321
5.904019
5.618122
6.864376
6.235817
5.881069
9.075625
8.545091
7.983062
7.486587
6.680532
7.540422
7.597919
5.495804
6.315531
9.242866
8.577807
7.026612
5.760216
8.853450
8.296060
8.368816
8.366741
8.238929
6.658559
8.711966
8.664480
7.125248
5.376171
9.147404
8.770318
8.000763
5.730064
7.317515
8.477462
8.105991
6.704215
8.089755
5.899503
5.884121
7.359264
8.627735
7.544694
7.268807
# Label of molecule (4)
0.825641
# Number of Instances of molecule (5)
4
10.526242
8.881785
9.606150
10.635271
12.404765
8.861565
11.449808
9.349701
10.404017
8.817674
8.668224
9.950138
9.498473
9.730539
12.728961
10.654238
11.770332
11.128031
11.692144
11.776665
11.934623
8.824099
11.061284
9.781681
9.767402
12.317052
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7.543031
6.441191
# Label of molecule (5)
0.856244
# Number of Instances of molecule (6)
5
10.544175
9.079536
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7.201346
7.948805
6.526276
8.034257
7.255669
8.807108
6.655675
8.880596
6.742714
8.207724
7.671697
8.591891
6.769326
7.195608
8.115802
6.225852
7.229179
7.646062
6.493561
6.141743
8.991562
8.111042
8.866680
8.702490
6.738685
8.346278
6.528840
8.344813
8.827006
7.393002
7.145070
6.890912
6.545808
6.089129
8.725562
7.978347
9.150624
6.884930
7.810129
8.480438
7.043748
5.838755
7.240410
8.795877
7.479308
5.667730
6.890545
5.878674
9.166250
8.727027
6.735755
6.886517
8.144246
6.794717
5.631108
7.320734
5.309320
6.536897
9.176016
7.533876
7.962111
7.525575
6.039933
7.478942
7.753853
7.688299
6.124531
5.576174
7.407407
5.167699
6.181768
6.317270
8.136906
8.860683
6.880276
5.372784
7.088168
6.569720
8.716391
8.877529
5.673574
7.220252
6.494400
5.554796
8.885586
7.920469
8.417798
8.199408
7.472701
4.907437
7.324747
7.632862
7.453047
5.733757
7.322550
5.091037
8.462966
8.571245
6.195318
7.914731
6.317637
8.507645
7.960387
7.419233
5.156590
8.710776
5.947386
7.821345
6.551042
8.333201
6.776879
5.092746
4.946379
5.036225
7.611255
8.620808
8.816248
8.004334
5.054903
8.547319
4.901944
7.327677
8.077822
5.662709
4.914029
7.626759
5.336650
6.730003
8.067568
7.794122
7.270913
6.112552
6.830714
6.727805
5.345439
8.583331
5.257912
4.932951
8.818812
6.186285
5.284402
5.865230
5.407453
8.029969
6.356090
6.890286
6.226203
7.884213
5.771844
7.737480
5.374248
8.456862
5.109592
6.318735
6.546525
7.225745
6.115604
5.791742
7.043489
6.699606
5.427717
6.738060
7.553026
5.984008
7.510910
8.335032
6.082034
8.527177
5.178076
8.393994
8.411206
6.919828
7.072176
6.141606
5.447127
7.625660
5.483871
5.617420
5.850215
8.515824
7.880428
7.564257
6.308237
8.083316
5.520371
7.684744
7.835627
7.211585
6.529435
5.142064
8.469436
6.374279
6.812037
7.175817
8.740318
7.137486
6.173589
5.711051
8.290475
8.843715
7.029328
7.834529
6.016602
5.348979
7.073763
8.012879
6.109622
8.691488
7.285684
7.927671
6.368786
8.561846
6.644795
7.803888
7.164708
6.456679
4.933927
7.104038
5.424299
5.384869
5.002167
6.465590
8.015687
6.002686
7.864071
8.754723
4.905484
6.056154
8.009217
7.112949
8.465651
6.000488
6.299081
5.871090
7.302164
# Label of molecule (6)
0.874183
# Number of Instances of molecule (7)
3
10.664789
9.019437
9.667301
10.643805
12.326762
8.999715
11.507892
9.117103
10.529101
8.894788
8.571610
10.023455
9.596319
9.908536
12.509765
10.646023
11.662381
10.950273
11.741448
11.851121
11.912530
8.830323
11.113434
9.501678
9.883250
12.255111
10.464099
10.008454
10.971313
11.875829
12.328111
12.048927
12.145673
11.060973
11.701967
10.764306
9.916653
9.772788
9.263418
11.957874
10.169153
10.365693
12.572594
8.711860
9.299415
12.402420
11.375502
10.153276
11.684485
11.455967
12.511674
8.341285
9.544358
11.535893
9.322047
10.888113
8.321715
12.373309
9.750018
8.643229
10.366962
12.523285
10.768844
8.872796
10.594052
9.154671
10.377628
9.141633
10.473766
10.005955
11.756617
9.858858
9.915947
8.245293
8.063622
8.013113
8.065338
9.217237
6.866085
7.711810
9.036184
7.709404
8.210452
8.692650
8.411027
7.004727
9.393550
5.421644
10.084685
8.235926
7.662625
9.977747
9.136740
8.501280
9.748197
8.698373
9.646374
6.481946
7.322036
7.448848
5.790477
7.679589
5.542291
9.481347
8.878148
5.619795
5.327138
6.019429
10.594701
7.895186
8.676145
8.947724
7.260571
11.191766
8.121433
9.442128
9.979687
8.722894
11.435712
11.066141
8.609025
9.485574
6.305570
8.803387
6.481542
8.216338
8.502603
7.238557
8.287498
8.966784
9.948886
6.216211
6.525110
5.271807
8.581109
11.047030
7.283072
10.009081
9.435664
9.141115
8.103336
8.369840
6.971216
9.442006
5.877175
9.803353
6.698806
5.387012
10.757008
10.396949
8.093493
9.027792
6.972089
10.733972
8.907735
10.039533
9.645729
7.540495
8.386487
5.583769
7.799037
8.330406
10.522806
8.875508
9.951373
9.133286
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
7.746391
6.009644
7.967467
6.674703
9.234840
7.689138
8.355296
6.217048
8.223457
7.321451
9.065889
7.170568
9.122776
8.284982
6.744774
8.662191
6.837672
5.362041
5.493515
9.063326
6.976959
6.715842
6.511490
6.228278
8.022034
5.607654
7.635792
8.661824
6.832545
7.733085
9.156346
6.490371
6.862941
6.049074
8.277169
9.115085
6.464370
8.969817
6.603290
6.417127
6.648091
5.802118
9.024384
8.395337
7.684256
7.301187
6.372204
8.105655
5.912229
9.216163
8.227607
6.782983
8.137028
8.703574
6.249275
6.015870
6.985015
5.483749
6.402600
5.851314
6.598041
5.613392
6.460341
5.704825
6.036744
7.750542
9.152928
6.949980
5.770257
5.787225
7.341594
6.061403
8.626789
7.723807
7.590503
9.190039
8.580401
8.660726
8.512040
9.040132
6.748680
5.782342
8.259468
6.928129
7.976135
9.208106
5.545152
8.895718
5.378399
8.585650
8.556108
6.750999
6.223151
5.301370
8.141545
8.917692
6.520768
6.183233
5.652089
7.959777
7.702078
8.570391
7.799371
5.664663
6.756127
8.624714
6.915799
6.553850
9.204810
6.760887
6.987335
8.698813
8.287301
6.067629
5.834223
6.716453
7.731742
5.595569
5.816156
7.819758
7.486618
8.388745
7.434858
7.797662
5.788934
6.131962
6.210578
7.799493
8.942961
8.291696
7.207556
6.799707
6.184576
5.622669
5.581286
6.616474
7.168554
8.003052
7.967895
5.516282
7.638539
8.832301
8.485611
8.596088
7.214209
5.882626
5.658132
8.749535
8.496109
8.257454
8.610736
5.885678
6.394848
7.944456
6.393384
4.957060
8.695334
6.538285
4.947905
8.537126
5.268715
8.642109
8.159673
6.764977
6.308908
6.823572
6.370800
8.533097
7.966063
5.002228
5.729423
7.790399
5.754814
5.139683
5.749931
8.840114
6.110294
8.110477
6.458571
8.501724
8.468032
5.626637
8.500870
7.018159
8.240974
6.094180
7.583605
5.577685
5.072176
7.271096
6.629963
6.329783
6.734336
6.607990
7.018159
8.767113
5.052522
6.141423
6.282296
6.349681
6.226630
6.817713
7.649892
5.247475
7.926389
5.121738
8.787866
5.073641
5.534837
6.884732
7.137425
7.485702
7.915769
7.146825
5.208045
8.528703
5.078890
6.950163
5.207556
8.595843
8.119388
7.935789
8.383923
7.881222
7.804071
7.619984
8.451796
5.199499
8.183844
8.226814
6.481399
8.047853
5.601856
5.948424
8.622700
7.785272
5.476485
5.511643
6.039613
7.803827
7.232765
6.923185
6.431959
6.567583
5.756523
5.269814
8.516861
7.392682
7.747917
6.449049
8.846583
8.846339
7.347148
7.702994
8.337535
7.635609
7.410382
5.833064
7.885250
7.866085
6.807215
5.969298
8.439589
8.540666
8.117924
5.768365
8.916532
7.176000
6.103458
7.917844
5.320841
7.412336
7.324320
7.818598
8.454604
8.488540
5.282266
5.323038
7.586047
8.461074
5.461348
7.402448
5.456221
7.039033
8.641621
6.618976
7.993896
7.912229
6.860927
6.277779
6.118595
6.445509
8.402234
5.133580
5.003449
6.615925
6.176214
8.526749
6.174871
5.067171
5.880428
6.823695
# Label of molecule (7)
0.835871
# Number of Instances of molecule (8)
3
10.425848
9.037606
9.686713
10.665959
12.554797
9.001535
11.217726
9.325836
10.384608
8.764549
8.696439
10.015849
9.566515
9.771151
12.588902
10.695343
11.461757
11.230511
11.499347
11.528468
11.755171
8.811632
11.168830
9.662187
9.744944
12.251324
10.693850
10.144051
11.032585
11.782409
12.425082
12.075596
11.896833
11.133661
11.740514
10.692811
9.812764
9.845997
9.052661
11.910878
10.053084
10.185391
12.698863
8.808793
9.217846
12.621415
11.521335
10.091327
11.567524
11.749103
12.424479
8.275438
9.634728
11.651739
9.398351
10.879184
8.486536
12.743555
9.396752
8.719243
9.909441
12.015987
10.955268
8.742620
10.743578
9.058649
10.398176
9.010431
10.215360
10.194129
11.937546
9.815352
9.881708
9.824458
8.174968
9.122878
10.353289
11.280539
8.750477
10.263850
9.620734
7.725348
7.831660
6.701250
8.189908
8.635569
8.200471
7.665655
7.670052
6.154986
9.322772
9.424584
8.219798
8.542723
10.389098
11.636106
7.730584
8.495795
10.536517
9.025405
7.573694
7.422139
6.376476
10.226897
9.355866
5.487430
6.671780
8.674852
10.796407
6.344314
7.179660
7.580979
6.451304
9.719032
7.054783
7.620081
10.021174
8.080015
10.381392
11.849934
8.054541
8.794776
5.723031
7.835210
6.486285
10.913891
10.236096
9.225304
6.167759
7.316261
8.316863
7.524421
8.633099
5.848504
6.393182
8.306343
9.717170
10.101827
7.769983
9.785049
8.706552
7.895753
9.241272
9.224797
6.341978
7.941248
6.620763
8.315570
10.715369
7.184163
9.096512
9.843846
7.047755
8.094344
10.080416
7.246810
10.130149
8.994887
10.871170
6.007662
7.625401
8.550416
10.227788
8.586987
8.532814
7.638820
7.916089
8.849101
5.549806
9.213248
7.611759
5.659429
7.230277
9.326533
8.308924
8.908795
6.905316
7.032640
7.604068
8.329310
9.242180
7.196341
7.531678
7.826487
5.988418
6.601230
8.628880
6.914228
7.643620
8.381314
8.181600
5.735481
5.997940
8.975082
7.524842
9.044664
7.412656
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6.524689
6.718299
9.274285
7.353084
8.816996
5.604617
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6.721595
8.634983
9.378536
6.354396
7.631291
6.340724
5.962294
8.788797
7.330622
9.356441
9.011948
5.979385
6.067644
8.785989
9.024522
8.945662
6.272729
6.624912
6.315332
5.492187
7.796213
8.929060
5.735725
6.749550
6.076067
6.319727
7.008713
7.987747
6.110248
9.200552
6.556063
6.078997
7.108203
7.059374
8.694189
5.983657
6.697424
7.231620
6.069842
6.634312
7.559999
6.499176
7.215506
6.593417
7.373470
6.900922
7.095141
7.859691
6.930952
9.128162
6.517731
6.197287
9.317133
6.881634
8.293420
6.364406
9.012680
7.565126
8.006180
6.614414
7.804147
6.688269
7.278985
6.845622
8.373745
9.356807
7.406064
8.775124
6.442167
6.223289
7.227714
6.509552
8.343959
9.273675
7.121754
7.891797
6.904340
6.824503
6.987350
8.993515
6.498810
7.107227
8.096393
6.132221
6.164449
5.811533
6.686071
7.787790
7.643742
6.966964
9.170644
6.790201
9.230705
8.532929
8.842509
7.157765
8.298425
6.077044
5.942885
5.957778
9.380367
5.912610
6.974166
8.565645
8.681372
9.073229
9.128162
5.697516
7.894116
5.497314
5.708136
6.592074
8.194174
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6.417264
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9.290643
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4.886486
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5.555940
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7.461882
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7.264611
6.823069
6.991897
6.302545
7.304407
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8.414060
7.391568
8.626347
5.827677
7.447722
6.270562
7.436613
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5.061785
7.655492
5.858562
8.254631
6.628483
6.660344
6.832957
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8.162709
8.180288
5.040178
6.890698
5.022843
6.515198
8.223380
7.394986
8.448119
7.112384
5.282250
8.339106
5.304590
6.299738
7.518403
8.613041
6.420347
6.887158
7.400723
6.252983
6.878979
5.509430
5.231956
6.234794
7.650121
5.587436
8.087756
6.070482
5.930586
7.780007
7.403043
6.085009
7.572237
7.804056
7.583956
5.248436
4.969375
5.496368
8.016831
5.436674
5.783486
6.993728
6.850414
4.997330
7.878155
7.902814
4.927625
8.496094
5.839274
7.339930
6.239921
5.515534
8.458617
8.711432
5.280175
5.386868
8.550050
5.111225
5.669347
8.723395
8.479369
5.211936
8.431516
6.634953
6.778634
5.521149
6.291681
8.497803
5.221824
4.881481
6.373104
5.151997
5.736976
7.087481
5.667150
8.406491
8.527833
7.493500
5.652257
5.720496
4.783090
5.491241
6.435972
6.942701
7.345668
6.726753
6.794870
5.977828
8.717902
4.936781
6.489563
6.259331
5.777627
7.275719
5.226096
4.900769
8.581668
5.010636
6.642888
8.403195
8.627079
# Label of molecule (8)
0.868680
# Number of Instances of molecule (9)
3
10.418581
8.999916
9.528886
10.581002
12.278143
9.104490
11.392050
9.389403
10.430117
8.710548
8.691204
9.966123
9.518673
9.905335
12.531691
10.533498
11.647839
11.189377
11.626802
11.787494
11.710188
8.957075
10.947634
9.631351
9.896487
12.199464
10.560050
10.103685
11.032773
11.615314
12.357245
12.196633
12.184033
11.088355
11.511671
10.851414
9.853305
9.906321
9.225850
12.051645
9.941246
10.253952
12.640335
8.857707
9.197789
12.545416
11.483629
10.177574
11.790627
11.679080
12.423642
8.383245
9.488684
11.665463
9.200393
11.064145
8.486335
12.647392
9.406981
8.617045
10.390728
11.879399
10.403002
8.658772
10.407149
9.346448
10.150753
9.008848
10.147593
9.774186
11.728044
9.809272
9.509707
10.044295
8.532061
7.900693
9.804468
8.692515
6.738996
8.103756
8.900411
8.222563
9.111167
7.919432
6.479533
7.534995
9.421547
5.876489
9.198168
7.510195
9.494992
8.922796
11.635317
5.831529
10.997082
11.754638
10.608478
7.943479
7.158778
7.767392
7.181248
8.737416
6.377432
7.786466
9.598043
6.402626
5.985852
6.765381
10.659460
6.416715
8.206931
8.156683
8.138439
9.630388
8.612901
9.556562
9.174012
8.406167
9.025872
8.321410
8.468824
6.891337
6.376097
6.447999
8.692303
9.622837
7.766063
9.033141
5.800800
6.850332
7.865541
6.924954
8.069420
5.933171
6.592480
11.557387
8.726722
9.787198
7.613666
7.826577
7.668778
8.286062
7.741389
6.974778
5.427405
8.531382
8.665416
7.344085
7.644749
10.077687
7.096048
10.254135
6.575528
11.547291
8.020529
8.990978
10.140853
10.179606
8.890948
7.721620
5.753501
6.596877
8.452735
7.186791
8.197787
6.397658
8.313974
8.131840
8.014283
5.836482
6.595416
6.094668
6.214789
7.739616
5.443648
6.541459
8.575945
5.144688
9.030305
7.363262
5.866512
6.781457
8.275155
5.728324
5.670827
6.992767
8.234993
6.643635
7.896237
5.496261
6.326975
8.634175
6.056948
8.450453
8.764183
6.414258
8.704855
5.699515
6.576250
8.426405
5.383953
5.074984
6.591632
5.121616
7.483871
6.624470
6.755455
5.858089
8.365856
5.646657
7.157811
8.290292
5.137486
7.406110
6.149236
6.127140
6.451979
6.401685
8.915922
7.131321
8.703879
5.065584
5.891415
7.235694
8.999908
8.767113
8.379528
8.652486
5.277383
7.994751
6.761925
7.849116
7.946532
8.595477
6.668905
5.267006
5.430464
8.940458
8.483413
6.656209
7.980102
8.898953
5.558275
7.903806
8.135502
5.488815
6.518265
5.227821
6.212470
8.083865
9.022980
6.615680
7.186621
8.049806
6.365673
6.376659
5.350627
7.684927
6.284738
6.689657
7.121433
7.341288
7.358257
8.016236
8.368664
7.599475
8.361095
8.256233
8.643452
5.373821
7.958739
8.520768
6.679403
8.822169
6.109928
5.397870
7.543199
5.934751
8.557390
7.584216
5.806818
7.679189
5.777642
8.759789
7.120701
8.572771
7.768548
6.579669
8.557634
5.562426
6.045717
7.658071
8.107181
6.081851
8.227424
8.418958
7.692618
6.164495
8.577654
7.689810
8.086673
5.486251
7.887326
8.911771
8.099734
8.212409
6.065371
7.842158
6.418165
8.524552
8.816065
7.624866
6.464675
5.701956
7.776971
5.101718
6.657674
7.633778
7.493149
6.242134
8.443861
7.633045
6.602618
6.564165
8.479629
5.434248
6.606769
6.423414
7.335429
5.242714
7.602527
9.043489
8.306116
7.119800
8.207480
6.696326
6.008438
6.136616
6.148946
7.868847
5.175039
5.609378
5.746223
7.498230
6.948164
7.010544
6.279687
5.062365
8.264367
5.592410
7.163503
7.961013
6.226829
6.245994
6.814737
5.447264
5.064562
5.226798
5.044664
6.616977
5.050890
5.623539
7.350032
5.325068
6.759560
8.443327
7.476623
8.908185
6.030534
7.189016
6.631382
5.586428
5.022568
7.804758
5.719245
7.420347
6.726356
5.862560
8.976424
7.696234
6.313623
6.866253
7.378231
5.617801
6.697058
5.548341
8.196005
5.176870
7.676336
6.033464
7.075854
5.077868
8.045244
6.744057
5.017197
6.593661
6.034440
7.922926
6.623814
8.224693
5.465087
5.649419
6.004044
6.038591
8.989242
6.220603
8.694189
8.564180
5.789071
8.776711
7.979934
5.114856
7.115650
6.041887
7.992019
8.418058
5.034410
7.059252
7.949416
6.421537
7.760201
7.790719
7.926832
8.158284
6.950606
5.461180
6.520051
6.537263
6.336940
6.518830
6.784829
6.941816
7.065477
8.087237
8.824442
8.505463
7.124683
6.785684
5.400266
6.944258
6.233055
6.790933
6.941694
5.817637
5.563845
5.016831
8.328089
5.094714
5.679571
5.285150
7.820017
5.899182
8.053545
7.364559
6.514435
8.310511
7.551088
6.750893
6.697424
5.092639
5.247917
7.065966
5.470336
8.230308
8.959456
8.946883
6.025163
7.142140
6.853801
5.303461
6.942427
7.450133
5.529786
6.818522
7.888256
5.178335
5.926771
7.563662
8.084674
5.256462
8.447966
6.608188
7.927931
7.202689
8.668676
7.496155
6.130757
6.861370
7.005783
7.463561
6.763344
5.071032
5.723640
6.274194
8.566378
8.136311
8.649754
6.547517
# Label of molecule (9)
0.823275
# Number of Instances of molecule (10)
4
10.478796
8.893011
9.545408
10.484464
12.372248
8.988215
11.475708
9.329062
10.404353
8.772771
8.589330
9.849392
9.596247
9.888360
12.426666
10.602239
11.473734
11.145799
11.716512
11.788574
11.765388
8.965697
10.912821
9.553445
9.797858
12.354193
10.494659
10.015899
10.918006
11.698825
12.277227
12.028571
11.916215
11.238231
11.613498
10.779201
9.892543
9.761921
9.076174
11.780927
10.017731
10.329115
12.583076
8.699151
9.152169
12.636942
11.415045
10.114034
11.794521
11.550400
12.306332
8.302253
9.732574
11.563280
9.282661
10.946326
8.133778
12.692203
9.402897
8.282840
9.894372
11.900217
10.438364
8.797891
10.751147
9.566236
10.266341
9.406490
10.419789
10.061377
11.855996
10.263096
9.855863
9.960711
8.273448
9.011882
10.483820
11.349723
8.890694
9.399999
9.372795
8.234050
7.290763
5.738178
5.916722
8.181644
7.852524
6.605093
8.619525
6.226242
10.503848
7.930953
11.634115
5.994343
9.290394
10.553707
7.666005
6.433040
8.649294
9.482177
5.315125
7.166891
8.093165
8.513854
9.502706
5.910860
6.354019
7.210700
10.096007
6.065910
8.234116
7.348634
7.758641
11.121874
7.828932
8.151419
10.801063
11.116840
8.572645
10.406910
8.979372
7.114131
7.926545
9.221366
7.658612
8.337743
8.196594
9.856130
6.707365
8.744943
9.927604
5.348957
8.598724
6.387101
8.646683
10.680184
10.225299
11.099027
7.280020
8.379481
9.712790
8.125420
7.099719
6.692126
6.072891
10.183978
7.310690
6.076367
8.813779
9.710631
8.825275
8.639323
7.133812
10.415175
9.408129
9.129095
9.242137
8.929717
10.631115
6.376780
7.657044
7.443654
8.640719
5.805891
6.912629
6.998574
5.167028
8.615619
7.541734
8.365612
5.025056
7.343852
8.617206
6.462600
5.566942
4.841456
4.921659
5.647633
7.312479
7.850826
6.331370
8.033204
5.223060
8.417859
7.164769
5.739555
5.655080
5.979675
6.959929
5.823908
6.679037
8.475845
8.806055
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5.641530
6.856655
6.104190
5.197302
7.845088
7.366802
6.633869
8.327769
8.218879
7.976318
8.798486
7.974364
7.857540
7.334574
6.924894
5.039827
5.302164
8.624165
8.494644
5.731010
8.438124
6.686605
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6.884854
8.797876
5.546312
6.595782
6.753502
5.466231
7.346538
8.767113
7.646718
5.629444
5.193762
7.546373
7.774529
8.624653
5.578295
6.436476
5.064119
7.307108
7.047578
8.206305
8.135624
6.692343
5.444014
6.059755
5.019562
8.496963
6.073061
6.141911
7.494003
5.951598
7.674551
8.754906
6.910245
7.264992
5.075106
5.659597
7.389264
8.108036
7.394879
4.840236
8.257942
7.499252
6.682699
8.102176
5.602954
7.462142
5.858455
4.882229
8.818262
6.831141
4.832301
7.645741
6.017396
5.581713
5.681326
8.241707
6.190252
6.057802
7.753410
8.597186
7.975585
7.473739
5.577074
5.120151
6.925748
8.063723
8.451796
8.190191
7.139988
7.255470
6.590533
8.108158
5.138096
6.242256
6.694906
4.883084
7.852779
7.327616
5.832453
5.230506
8.612690
6.418775
6.495682
8.154912
6.994232
7.044771
5.714042
6.494583
8.414808
6.270943
5.097079
5.802423
5.342814
4.888333
6.681112
7.936399
8.000732
8.251473
5.456221
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6.434400
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5.167272
7.825800
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6.921354
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6.652364
6.718528
8.714560
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8.059145
5.150975
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8.877529
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5.577868
6.209601
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6.891629
6.991119
8.445143
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7.954772
6.069338
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6.022706
6.604022
7.616016
6.383068
6.169683
8.034242
6.271737
7.027863
5.201392
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6.065554
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6.964263
6.122684
8.803797
8.141545
8.370190
5.320292
6.456313
5.608631
6.700095
5.419416
8.848231
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5.901608
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5.529405
7.569384
7.751640
7.140660
6.700949
5.617298
7.762261
8.306711
6.068972
5.825312
5.703970
6.691549
6.505142
6.463881
6.620746
7.571459
7.385784
8.821375
6.212043
7.338176
6.485488
7.904843
8.457961
8.820399
7.301675
6.976470
5.359966
7.379192
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7.301431
6.675924
6.151738
7.634449
6.480728
5.520371
8.818201
8.186590
8.746666
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8.267037
7.181555
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6.713889
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7.112339
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7.392254
6.204962
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8.637898
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7.287393
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7.233680
6.456679
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5.965087
5.904172
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7.323649
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6.264168
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6.074099
5.547594
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7.515305
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8.687338
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7.987243
5.171484
8.809900
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8.679647
5.792108
8.405103
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5.474715
7.589038
7.434858
5.827143
7.690847
8.403027
5.890500
5.994995
8.690756
6.197531
6.018082
7.396054
7.756050
4.874004
7.070605
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6.449614
4.918806
6.019303
6.610630
7.847240
8.328578
5.904187
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7.009934
5.078967
7.614200
6.981979
5.224601
5.171133
5.192495
7.321833
6.899457
7.544984
7.667425
6.485626
5.420774
5.735115
5.779305
8.038530
7.346614
8.144002
7.982742
6.694494
6.309473
8.806619
8.096026
7.407163
8.007279
6.522980
4.974471
7.012741
5.652837
8.233360
8.583102
5.304437
7.261406
6.508454
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6.410550
6.147725
7.034837
5.612308
5.352657
8.009964
7.965163
8.231285
8.658544
5.973281
7.011277
6.908612
7.904126
4.971419
6.155660
8.425993
7.061571
6.837321
5.853038
6.471465
6.525422
5.479858
6.600497
7.001022
8.694189
7.523255
5.749886
6.997482
7.981887
7.780099
7.436338
7.003342
6.133808
6.937178
5.500366
7.801828
7.722114
8.825907
5.275994
7.621525
8.696020
8.654637
8.121662
6.239769
4.861797
5.576174
8.567965
8.358608
5.168081
6.967208
7.958205
8.629856
8.669164
5.792245
6.455229
6.703284
6.044450
6.430082
5.291498
6.673986
8.547823
8.334681
5.135243
5.301874
5.260002
6.908246
8.449797
7.380795
7.522645
4.959578
7.719062
8.630467
5.425169
6.123676
7.416562
8.486908
7.223197
7.616642
5.590457
5.166372
6.559969
7.702216
6.940962
7.378475
8.368618
5.244255
5.265618
7.060595
6.328272
6.720130
7.146168
7.513733
6.751259
6.068621
6.752602
7.309137
7.772774
8.751564
7.639714
6.344630
8.722266
5.398556
5.410276
6.424833
6.548494
6.414945
7.121876
8.738502
6.174703
6.923750
5.308222
8.610080
5.657964
5.420042
6.495880
5.900037
# Label of molecule (10)
0.866773
# Number of Instances of molecule (11)
4
10.469000
9.104893
9.514328
10.556023
12.346051
9.120615
11.292131
9.357216
10.577902
8.818859
8.638256
9.977398
9.601585
9.922875
12.439686
10.650150
11.482702
10.953048
11.795046
11.819360
11.741017
8.850763
10.856219
9.722339
9.628709
12.391721
10.459585
10.067373
11.013931
11.877139
12.465729
12.174385
12.012316
11.366176
11.690705
10.857553
9.864169
9.922340
9.009327
11.823066
10.100014
10.259926
12.672905
8.924095
9.225629
12.592179
11.572088
9.934639
11.684817
11.734962
12.325807
8.162927
9.509175
11.850547
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10.845268
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10.143363
12.513865
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10.175059
9.842667
12.120433
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6.276687
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6.026172
11.307955
10.795655
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8.313074
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5.412229
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9.300043
6.476104
9.090564
8.191000
8.033525
5.833750
# Label of molecule (11)
0.860775
# Number of Instances of molecule (12)
5
10.490735
9.049225
9.597253
10.479872
12.479700
8.999715
11.341063
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9.699744
8.928724
9.667516
7.684423
7.010453
6.483459
6.218314
6.262627
9.165914
6.768502
8.881970
8.101428
9.033219
6.726753
8.641118
7.975692
8.980483
8.893567
5.724647
8.068834
7.708350
6.284234
9.668981
6.982009
7.510468
6.119190
8.496826
6.516297
6.840159
7.757668
6.889599
6.604678
9.055803
8.219596
7.225181
8.765755
8.220817
6.667425
9.359157
6.457213
6.833934
9.224021
7.022172
6.702460
6.364071
9.501007
8.711188
9.365383
9.464507
6.213919
6.672292
9.189703
5.697531
5.720481
6.883969
7.551592
6.286782
9.463515
7.444411
6.431318
8.573107
7.676595
8.106418
6.950987
8.709464
9.494522
8.698599
7.824549
6.291543
8.158910
5.793847
6.362835
9.192511
6.332682
9.181402
6.190344
5.890896
6.061800
9.017457
9.046876
7.166082
7.761803
6.533250
6.050691
9.033937
8.601428
7.170843
5.798486
6.802179
8.660756
9.023438
6.674734
8.116672
7.237129
9.456801
6.747612
6.874081
5.675069
6.783624
6.626270
5.878689
7.094180
7.869839
6.653737
6.115024
9.390271
6.542894
5.810450
6.512497
5.885281
7.682089
7.704184
8.078463
6.001373
5.861843
9.020508
6.272134
6.332072
9.426283
7.809900
9.496963
8.487411
6.866756
6.984680
7.583453
6.087680
6.380779
6.403119
8.141453
9.281137
9.484512
6.913266
8.652699
9.158208
9.554582
7.733970
6.181066
6.441939
8.176244
8.545396
8.576403
6.824396
8.170141
5.667013
9.042482
7.327830
8.172826
5.695700
7.950529
8.064058
9.649190
5.979034
7.768273
5.766869
9.207770
9.301645
8.980346
7.473586
7.096500
6.154698
8.877926
8.729240
8.753044
7.969695
7.088687
6.689749
6.284341
8.684439
7.725791
8.498764
8.752190
6.022980
6.026643
9.312021
8.136692
7.860561
9.361583
8.345683
5.855617
7.048036
8.482040
9.323740
6.713675
6.074740
8.888668
5.697409
9.155034
6.940733
6.189001
9.014649
6.696463
7.614826
7.324412
8.811396
9.416517
8.454573
9.537736
6.402631
8.370952
5.961211
6.958800
6.946348
7.816492
9.246467
8.683096
8.155370
8.112033
8.584216
6.214515
6.034089
8.175268
7.424024
6.154698
8.012177
6.368938
7.240547
# Label of molecule (12)
0.863537
# Number of Instances of molecule (13)
3
10.439235
8.926785
9.677916
10.644863
12.595751
9.006963
11.424946
9.133799
10.527546
8.755151
8.494970
9.862231
9.340291
9.997650
12.417125
10.756714
11.545567
11.214937
11.556753
11.702405
11.890206
8.986310
11.161670
9.513414
9.709165
12.340163
10.479896
9.894586
11.058243
11.841154
12.310973
12.170559
12.186274
11.281367
11.655328
10.681477
9.861711
9.812282
9.109506
11.985319
10.114172
10.322532
12.617088
8.762070
9.289056
12.382665
11.435268
10.026466
11.845147
11.539087
12.701207
8.196112
9.894267
11.537032
9.040576
10.712049
8.410283
12.086035
9.379194
8.575181
10.054290
12.482723
10.822063
8.836320
10.719654
9.019347
10.579154
9.066119
10.401396
10.015573
12.257768
9.843760
9.769102
10.041731
8.151129
8.713027
10.294640
8.837301
7.218686
8.104784
10.664885
6.717549
8.477841
6.410948
5.792928
7.194627
10.651757
5.571313
7.654564
8.275132
9.117007
7.277204
8.223043
6.085815
8.080401
11.714441
9.638186
8.936998
8.218498
8.551891
7.429286
6.470214
6.132957
8.005343
8.746416
8.274921
6.130646
6.127717
9.328990
7.916208
6.728170
10.000932
8.485742
10.232388
8.230934
8.137390
9.784743
8.981530
9.059510
9.830599
7.245353
6.159583
7.854109
8.959457
5.563760
10.582278
7.188046
7.275626
7.471758
8.927666
10.772647
5.153614
6.669717
7.411667
6.315622
9.588677
8.572309
8.116678
8.671271
7.674088
7.353286
8.185158
9.662467
9.838644
5.649123
9.080602
7.067673
6.566762
9.883149
9.525574
6.699131
9.646786
5.528487
10.534906
8.284545
10.597027
8.650675
9.278660
9.509089
7.563037
5.889446
7.742812
8.954513
6.803001
8.243814
7.797500
9.236793
8.091983
5.425764
8.786340
6.974395
5.532090
6.398450
6.989410
6.369152
7.787164
8.877529
7.804621
7.809137
8.512284
8.062807
8.241890
5.552599
8.248726
7.587573
6.607807
5.703726
8.852626
6.551164
6.321421
6.396252
8.916227
6.699484
7.909970
5.565050
6.056642
8.130680
6.059084
7.678518
5.946898
7.897031
6.592792
6.805322
7.963439
5.882199
8.258126
5.394391
7.326334
8.326121
8.189642
6.138920
7.606738
5.372662
7.928159
8.302194
7.476485
9.017304
6.870022
5.879147
7.574511
7.826594
8.019959
6.969756
5.365947
8.807215
6.924467
7.735893
7.868465
6.797998
8.659627
8.322336
6.119388
7.760552
7.748100
8.111270
9.262917
6.342662
7.882382
7.688772
6.126102
8.091617
8.325632
6.897366
8.164861
8.689413
5.868282
6.348766
5.650014
8.586871
7.215125
5.773186
6.972686
7.412275
8.675375
6.579363
8.939421
8.526322
6.033204
8.000793
7.936216
6.102542
7.474288
8.202216
7.835017
9.105319
8.438917
7.722953
6.515397
6.540544
9.283303
6.630146
8.880825
8.356761
6.617817
8.759362
8.240181
6.367199
7.201941
8.414380
7.932798
5.572741
7.267006
8.904141
9.069674
6.256233
6.145634
8.290719
8.267891
7.226722
9.079196
5.722159
7.251381
6.586200
8.080508
7.727592
6.194220
6.395032
7.726737
7.846614
6.681051
5.611560
8.756676
6.971587
8.159856
7.678884
8.346751
7.774590
7.761650
7.135777
5.943602
6.595355
7.362468
5.626209
5.524766
8.165716
5.762688
5.681997
7.164586
6.544084
7.858455
8.653890
6.779809
5.637440
8.680013
9.165868
8.930265
6.682394
8.172674
8.468947
7.548021
8.063173
6.594745
8.880734
8.447371
7.030702
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5.407727
8.572619
8.139500
9.023072
8.403668
8.892209
8.813715
7.402417
5.866115
6.864315
7.427564
7.380322
7.194891
8.132786
6.967467
8.768059
5.898709
9.003296
7.173528
9.390515
8.265725
8.660878
6.580248
8.754265
9.368664
9.006226
6.831111
7.518998
7.780847
5.982940
5.640034
5.650044
8.379009
6.272256
6.777886
8.124973
8.605945
9.230354
5.456435
9.068972
5.569475
7.942106
5.486343
7.196478
7.353832
9.268197
6.583056
7.431715
5.913480
6.757500
6.196326
5.583758
6.932188
6.304605
6.238563
6.952086
6.014313
6.420820
9.086306
7.734947
6.589770
9.000855
9.229499
6.120396
8.902951
6.454024
8.945677
7.929044
5.463637
9.079836
8.371197
5.688375
8.334208
6.558519
6.346721
8.011322
7.626057
7.435987
6.410566
6.153478
6.584033
6.474044
8.316263
6.627247
8.630726
7.744346
7.447462
8.743034
5.746239
9.338511
6.507492
7.956999
7.560381
5.570330
5.856471
7.898282
8.529405
8.546861
8.872066
5.949736
8.573962
8.978759
8.709098
7.259957
8.553575
6.110874
8.831782
8.058321
7.951994
6.643239
7.695273
7.151311
6.147496
6.518845
7.950285
6.472823
6.645314
7.455763
8.545885
7.563555
5.645283
6.093783
8.105686
8.856075
8.320780
7.635823
5.953642
6.639210
6.183020
5.854030
9.161748
8.577013
6.908017
9.340220
7.996307
6.657399
5.996246
7.871914
8.139500
6.445723
7.647298
6.771783
6.057039
7.517899
8.216407
7.133244
7.890347
7.947722
5.635517
7.789270
6.247353
7.725181
8.167699
6.897153
7.266549
7.977874
5.873440
7.016663
6.328776
8.873287
6.163854
5.554582
# Label of molecule (13)
0.836694
# Number of Instances of molecule (14)
5
10.588620
9.111208
9.590456
10.731673
12.465257
8.971480
11.365519
9.389615
10.415315
8.789095
8.627778
10.088878
9.540186
9.877222
12.644801
10.749052
11.661802
11.079335
11.545888
11.541322
11.841054
9.032653
10.978414
9.544978
9.775997
12.403298
10.491710
10.112009
10.818147
11.736152
12.518361
12.206731
11.976941
11.388329
11.474838
10.886458
9.880739
9.777922
9.154115
11.905979
9.981646
10.215966
12.415559
8.676944
9.110617
12.625167
11.495106
10.154119
11.714636
11.693293
12.443335
8.479208
9.692329
11.731089
9.261961
10.657665
8.257126
12.474514
9.467077
8.215851
10.326065
12.141564
10.441582
8.976004
10.698004
9.448883
10.339066
9.157724
10.321232
9.801503
11.960907
10.182184
10.043846
9.875753
8.460679
9.076729
10.572576
11.316136
7.441730
10.092537
10.325279
8.517663
8.289618
6.094722
7.021209
8.872566
9.708279
5.975650
6.893626
6.535639
7.349264
8.723903
10.230461
7.312838
9.233110
11.222640
9.265707
7.101809
7.663466
9.192117
6.312004
7.881385
6.134679
8.375051
10.600059
8.310068
5.399392
8.576217
10.842017
6.848468
6.660859
9.621174
8.123802
8.874843
6.180852
9.291782
8.130645
8.535662
8.790403
11.116524
9.171384
9.170080
6.278848
7.896941
8.688054
11.875765
8.427020
6.896250
6.837864
7.136490
9.708883
6.306507
9.608955
6.970918
7.061605
8.262519
7.695906
10.376170
8.058314
9.797805
9.937439
7.042294
7.559784
8.984446
5.912253
8.801111
6.376827
7.620076
8.388499
7.188693
7.159256
7.521968
5.696161
10.366558
9.336490
8.727983
9.260050
8.434446
7.531638
6.252833
6.387881
8.142456
7.724747
6.333389
7.546340
7.631413
8.014725
8.317347
7.397519
8.273278
8.031205
5.051744
7.075854
5.716926
6.231712
7.845286
8.046342
8.671484
8.221885
7.391049
5.701056
8.741066
8.548067
6.383328
7.073168
8.449919
7.767891
6.377712
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8.762551
8.050249
6.227561
7.150563
6.165304
5.230338
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6.590854
8.783425
7.082568
7.442686
8.524018
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8.616184
5.492065
6.236961
5.258049
7.818552
5.826060
8.738990
7.791208
5.167837
7.423765
5.577273
6.816691
6.107318
8.615085
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8.334559
6.424100
7.487609
8.695288
6.882611
8.697851
7.048143
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7.258232
7.054247
5.595340
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5.385983
7.098560
5.678472
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8.710303
5.902966
5.016099
5.169057
6.485260
6.923872
6.752480
6.483551
6.339869
6.724647
8.422575
5.976577
7.488952
8.377163
7.005783
5.006088
6.969893
6.417875
7.437925
7.183157
5.276727
6.235130
7.961013
8.675878
7.768014
6.759194
5.682989
7.505554
8.222617
5.333247
7.724067
5.711066
6.919355
5.638432
7.323298
8.253746
5.615604
7.549257
6.281518
8.540742
7.797922
7.792428
7.115284
8.440275
6.582430
6.287378
8.296838
6.663366
8.638401
7.039476
5.953993
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8.509125
8.463713
7.407773
7.007004
5.708136
8.013749
7.919141
6.847697
6.962447
7.989456
8.023026
5.787729
5.979507
7.399838
6.822550
8.591403
7.112842
6.755776
8.619358
7.870312
5.300897
6.667028
6.254906
7.537416
8.655126
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6.537996
5.626102
8.069414
8.303552
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8.352382
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7.882519
8.281945
5.293695
8.401944
7.551088
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7.350887
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7.021928
5.680090
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6.383480
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4.890393
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6.802927
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5.284936
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7.707129
4.904431
4.809336
8.421995
4.876476
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6.602847
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7.488006
6.526185
8.626347
6.562929
7.082232
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6.369198
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7.903302
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7.175008
5.599399
7.054888
6.117603
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5.468291
7.035600
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6.927320
6.079760
8.373531
8.313837
5.812418
6.930372
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5.623081
5.722327
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6.098804
8.149648
6.336604
5.259789
4.894055
6.851146
7.726173
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5.646641
4.988052
7.347255
8.172964
6.988113
8.475097
6.559023
8.735481
6.914869
7.973373
5.037980
7.115558
6.169118
6.601627
7.468108
8.640629
8.329951
5.139058
4.877209
5.748085
5.989792
6.594668
6.998733
6.567202
8.393918
8.019150
8.030259
7.929914
7.913800
5.434599
6.166433
5.686560
8.731941
7.755837
7.280725
5.202780
7.113483
5.578402
5.128925
4.907971
6.638005
6.709906
8.453124
7.776833
5.766762
8.317988
7.357753
5.612705
5.122700
5.569613
5.334254
7.013260
7.853862
6.640080
5.310205
5.888592
8.459960
5.960494
8.095202
5.410184
7.453581
5.586093
7.601657
6.264458
7.233116
8.554201
5.213157
6.085742
6.541078
6.110645
7.676733
6.944288
4.883312
6.678167
6.893384
5.763466
6.284600
8.441404
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7.424039
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7.255089
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6.937208
5.635166
8.314447
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8.260979
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6.656072
8.451903
5.603793
7.899518
5.840007
5.138936
5.138691
4.788583
8.257317
6.187063
7.368496
8.545534
7.684301
8.102527
5.446562
6.261284
5.552644
5.055925
7.100177
5.848430
8.603763
8.398312
8.029038
5.880657
5.627720
6.541688
5.330226
7.986190
6.664983
5.085345
5.318751
6.672063
6.042039
5.056413
6.123218
5.452300
8.619755
7.144124
5.429594
6.156056
8.626347
7.800882
5.748207
8.290643
8.451903
7.085528
7.578829
5.333522
6.778878
6.123829
6.850414
6.829905
7.423673
6.060961
7.008133
5.169332
6.263115
6.381283
6.123829
7.917707
7.623508
6.471007
5.406034
6.577578
7.503876
8.296258
7.482269
6.655095
7.011917
8.075426
6.830027
5.904950
5.384304
6.817209
8.731819
5.630894
7.969222
7.601901
7.127766
5.915815
6.543397
5.478668
5.742470
5.656163
7.341884
5.856243
4.859630
6.276543
8.171987
5.259789
6.120411
7.998642
7.989486
6.330744
5.720130
5.539583
6.310114
4.943617
8.378903
8.116443
7.831889
5.314478
8.459838
6.627995
5.643834
4.977309
6.611270
4.893445
6.395566
5.502228
8.307489
5.819742
6.802316
6.830638
8.662114
5.373318
4.861217
5.103534
5.891400
5.232444
7.154012
7.855693
7.799539
4.993423
7.609836
6.452940
5.662389
4.807016
7.104328
7.646336
7.886578
7.319666
5.270043
8.118641
7.814310
5.793008
5.892132
5.897504
6.053636
7.280602
7.265221
8.512085
5.706458
5.731849
6.886547
7.764748
4.869884
5.902142
7.859722
4.997208
4.786019
4.942152
8.384152
8.722907
6.015549
9.452391
7.961013
9.455931
8.856914
7.878491
6.405179
7.574770
5.843760
6.571078
5.715217
8.694555
8.943220
8.020707
7.052660
7.820994
6.438993
9.183706
9.240837
6.165304
8.454070
8.692480
8.953475
8.990463
8.541963
7.558412
7.552919
8.138142
7.363704
9.241813
8.950056
6.110492
5.826548
6.963301
6.863811
8.581393
9.057848
8.133869
5.854503
6.211936
8.589816
7.775216
6.504181
8.646702
8.130818
8.809549
7.121754
7.563295
8.297571
9.089221
8.345424
7.653142
7.682318
9.045396
9.020005
6.405301
7.632267
7.827830
7.721015
9.571657
6.114154
5.812510
6.303613
7.185232
8.039628
9.351070
5.848888
9.009384
9.427488
7.636784
7.384579
8.291101
6.775307
9.564821
7.753365
8.694189
9.019150
6.456938
7.004685
7.286554
7.451842
8.530976
9.686285
8.458708
8.979110
8.985214
8.406949
9.644658
8.085650
7.576601
8.049760
5.724860
6.887005
7.565737
7.007736
8.982528
6.643712
5.903211
5.817637
7.488952
8.109210
6.534700
7.568667
6.795816
8.090777
8.696387
8.457488
5.804575
9.595340
8.079180
6.868572
7.692816
8.936018
6.734535
9.352046
8.768410
9.175527
9.596927
5.875011
6.129170
7.279717
7.499084
8.721900
7.003342
8.357143
8.554903
7.416807
8.642064
6.360378
5.783212
6.046403
7.644230
8.621799
6.850139
7.354915
7.584292
7.601749
5.801889
5.986831
7.820994
9.221793
6.667516
7.255181
6.359279
9.159413
6.800455
5.806650
7.643742
6.477569
5.840220
8.560152
8.155110
5.967421
8.164632
8.294763
6.687048
6.574252
8.708960
8.260338
8.178549
7.286309
6.029191
8.186728
7.974075
7.858715
8.480438
8.066607
# Label of molecule (14)
0.888355
# Number of Instances of molecule (15)
5
10.483728
8.895497
9.538465
10.495105
12.306670
9.143684
11.328779
9.244803
10.415075
8.843739
8.562691
10.053406
9.449352
9.780078
12.535870
10.743129
11.625953
10.998719
11.694969
11.849263
11.969905
9.002638
10.909704
9.645699
9.734583
12.457902
10.509528
9.902022
10.948637
11.702880
12.478136
12.074363
11.969018
11.172548
11.742000
10.783825
9.816031
9.705671
9.083804
11.845067
10.149938
10.290948
12.533084
8.892511
9.162599
12.594017
11.668811
9.922803
11.813220
11.501516
12.414546
8.376167
9.627062
11.620015
9.440311
10.884686
8.257443
12.082340
9.417811
8.331224
10.186510
12.286906
10.576573
8.484395
10.523024
9.140630
10.233310
9.451510
10.472296
9.816696
11.819274
10.140749
9.706619
9.622271
8.390334
9.137063
10.309327
11.288824
8.426350
9.744587
7.345413
6.850939
8.267582
7.221624
8.512377
7.711180
8.405941
5.050670
10.054265
9.087677
8.998417
8.387062
10.845161
5.780416
10.041177
11.345772
9.947471
8.967997
7.037680
8.881595
8.197020
8.867342
6.722091
9.859193
8.867276
7.870973
7.338543
7.148864
9.638048
6.663683
7.352448
7.482780
8.456857
9.963169
6.921576
6.608181
9.094361
9.184904
10.155670
10.563402
7.472287
6.207871
8.025607
7.950336
7.101006
9.576975
6.944354
9.779793
6.744467
8.361782
9.845598
6.287245
9.301706
8.132395
8.610528
10.651289
7.928408
8.755918
8.623835
8.605721
8.540979
6.577699
9.173409
9.894614
5.275749
8.893361
8.261715
5.216832
10.051554
8.851487
6.214817
8.315863
6.685107
8.621036
7.673276
8.735631
9.886137
9.651473
9.202443
5.507688
6.753594
6.752868
8.015493
8.554025
9.751924
7.233307
6.141255
8.286584
6.112934
9.392209
8.892682
7.309748
6.691565
7.708686
8.942610
9.061144
7.418516
8.165853
6.361599
5.696539
8.716407
9.384518
8.708350
7.629704
7.594546
8.198569
8.936872
8.722388
7.709784
7.451964
9.453001
5.655522
7.012375
8.661840
8.693823
8.354823
6.352687
9.424192
8.606052
8.344813
8.424406
7.437437
7.397153
5.908948
6.417508
7.016770
7.935133
6.929731
7.759468
5.977187
6.172262
6.281274
8.314661
6.757607
5.966567
8.654515
6.421171
5.662236
8.677343
7.684149
8.139363
8.095660
7.908277
6.258324
9.083972
7.662175
5.774911
6.880169
8.219321
9.010727
9.070666
6.960860
6.989792
8.294153
5.704474
7.916700
9.160756
7.122730
7.789499
8.945906
6.745888
5.883190
5.753304
6.360134
7.395566
8.301355
7.847240
9.346065
8.620701
7.120777
9.429197
9.030503
6.228172
6.774697
6.394803
7.726753
6.341334
8.924543
9.132069
9.234977
8.382656
8.739845
7.373836
9.071398
8.390469
7.797311
6.325465
9.503662
6.048967
7.470641
8.438322
6.264794
8.802591
8.687353
9.209342
7.822825
8.430876
5.928480
9.376583
6.078387
7.461486
9.346309
7.890698
7.369564
6.791665
6.871258
6.032731
6.653722
7.897168
8.190023
7.056688
5.746345
9.001816
6.462188
5.729499
6.487823
8.582369
7.657048
8.145833
7.715766
7.585391
7.379940
8.189291
8.916974
7.729316
9.068346
9.019639
9.433714
9.267449
7.427549
7.955885
6.100604
5.587161
6.986251
9.135121
6.184835
6.020280
7.642033
6.317286
6.507111
8.238609
7.074877
8.216269
7.616764
7.611026
7.903516
8.726783
5.896863
8.896466
7.458068
6.426176
8.473968
8.318949
6.401166
7.294870
8.173803
6.632740
7.426710
7.720664
9.055422
7.955779
8.130711
7.610309
9.157353
7.204535
6.428877
8.073458
8.812738
9.712546
6.223548
7.821863
9.664449
6.246498
7.517045
9.713523
7.258248
7.923063
9.453993
8.632923
9.254524
9.396619
7.168157
8.082858
7.129093
6.696829
9.310312
6.861141
7.244697
10.090487
9.128300
7.199408
9.161992
6.339274
7.979705
9.736473
9.068972
6.734306
8.146947
6.703665
8.202368
7.275338
9.832911
6.696341
8.136570
9.376598
9.211432
6.405316
8.814081
7.469558
8.407453
6.684744
7.193182
7.879360
6.281167
8.330790
8.388653
9.349742
8.893063
8.947020
7.178655
9.590960
8.522202
8.269265
7.754601
8.227149
6.115635
7.327952
7.587359
6.516648
10.041536
8.820185
9.286630
6.220008
10.021882
8.068453
6.326823
7.992401
7.121036
9.939970
6.515427
7.674032
6.663015
9.102054
7.078188
6.854549
6.952940
8.988647
9.236946
8.085055
6.679983
8.852168
6.154332
7.113590
7.873135
6.277017
8.121189
8.520493
9.287606
8.528672
6.860042
9.125004
7.095767
8.113620
6.822443
7.541704
9.758202
7.925260
9.351451
8.260842
7.948210
7.351268
9.588153
6.625294
6.407147
6.715751
7.994476
7.082827
6.604419
9.434095
8.368267
9.085574
7.076479
7.251289
8.225440
9.013428
6.320597
7.944182
9.424940
8.495834
7.119327
6.856990
6.909726
9.507218
7.168401
9.649312
7.441603
6.610523
6.884701
7.629231
8.201392
8.724113
7.269723
9.048585
7.132511
8.787469
8.701407
7.732139
6.901914
9.700095
7.531571
8.420026
8.352031
8.908933
9.362682
6.194372
7.320750
10.019440
7.879360
6.764061
7.069979
8.166448
8.593585
5.946532
5.952391
8.827479
8.610797
8.131291
5.078951
8.877529
6.702658
7.258827
8.498001
7.775811
7.084140
7.958800
8.442091
8.691855
5.595325
7.176428
7.864803
7.034455
6.592303
5.447371
6.653462
8.066103
6.203742
8.196112
8.398877
8.978729
5.830927
7.432295
6.593768
6.805689
5.764275
8.221747
7.136631
7.543992
6.792138
6.304575
6.014283
5.862667
5.677114
5.237403
7.040071
6.772485
8.373852
7.433882
6.521134
6.631367
6.865017
7.478439
5.730705
8.860561
7.488815
6.089114
6.059816
7.746391
8.633503
5.103122
7.724174
7.704520
7.674612
5.861324
6.899686
7.378338
7.029328
7.365764
8.164373
7.949156
7.202551
6.585345
7.118076
7.031892
8.700644
5.286721
8.058290
5.532823
6.687155
5.761223
7.584887
8.841762
8.255928
7.826472
9.009857
5.735832
8.195868
5.476424
6.446669
6.370006
5.123386
7.555223
7.454512
6.726585
5.857662
8.827967
5.111545
8.902921
7.910947
7.826716
8.393994
8.608234
7.973571
5.843745
5.733146
7.247475
6.264290
7.448897
6.629658
7.965880
6.624531
8.904874
8.194769
9.028901
6.227790
6.856227
7.498093
5.913694
6.782495
5.666982
6.594378
7.486862
5.102512
7.781549
7.104892
5.641469
6.918363
5.483261
5.228614
7.772759
5.806757
6.427992
8.058657
7.461592
7.112094
7.324747
6.077273
6.746605
6.734642
8.140568
6.706320
5.355571
8.661824
5.203345
7.787408
6.273690
7.115635
7.578539
7.866512
9.021821
5.193335
7.093539
8.158147
8.021546
7.874325
6.386731
7.064608
7.421064
5.269631
7.353679
6.124760
5.756584
7.989196
8.367870
8.267159
8.493606
7.088168
6.986724
8.197577
7.998962
4.960295
8.206610
4.994110
5.215918
8.519242
8.877529
6.974517
5.223975
5.505722
5.907956
5.092502
8.408521
7.513230
6.118900
6.462416
8.195135
8.443556
6.256844
7.044710
8.185614
5.393902
5.843013
7.450728
7.064364
6.847438
8.233589
7.739189
5.655263
7.043733
7.265175
7.079379
8.501053
7.404096
6.862697
8.157659
6.341197
7.886898
6.981231
8.199286
7.863704
5.146825
7.260292
8.484695
7.104526
8.374950
5.763909
8.230781
6.871364
5.691275
8.180609
6.716575
8.565264
7.970397
8.860561
7.523728
8.775964
6.968413
7.062899
8.771325
5.024995
6.631611
7.789239
5.216285
7.033845
8.459548
6.578265
6.097415
7.888241
5.796747
7.635914
6.594867
7.478072
7.930845
6.676656
8.783776
6.584246
8.868496
7.851253
5.953001
7.989807
5.667470
6.134037
6.168340
6.989166
5.197851
8.547807
4.950774
7.670705
8.208075
5.598254
6.948393
7.347942
5.569689
6.296030
6.474624
5.514145
7.578906
8.137394
6.789331
7.695730
5.185522
7.422651
7.996521
8.577960
8.028382
5.285012
7.434248
8.780358
6.149174
6.805689
6.432752
5.655019
8.261788
8.588702
7.313028
8.483718
7.450728
8.173040
6.504288
6.447035
7.174963
6.655293
7.652272
7.744072
6.450697
5.898068
8.595538
6.234260
5.089206
7.699271
6.083987
5.977538
7.864559
8.297433
8.113834
8.049013
8.485549
7.588427
5.755486
6.000366
8.247383
6.427137
6.348766
6.346690
6.238777
7.391400
7.938902
8.450270
7.977721
8.380200
8.831751
8.178045
5.352519
8.424390
8.139592
7.708670
6.742332
7.082675
7.195105
7.861019
6.192755
# Label of molecule (15)
0.862580
# Number of Instances of molecule (16)
5
10.545343
9.115779
9.487637
10.586526
12.579541
9.107069
11.510150
9.389340
10.496388
8.727335
8.522795
9.812775
9.593007
9.957603
12.695547
10.469942
11.626936
11.077252
11.671336
11.571361
12.035038
8.805763
11.118881
9.620016
9.786578
12.224673
10.472868
10.129711
11.082425
11.761812
12.327862
12.105358
11.914654
11.132853
11.441990
10.765506
9.954560
9.872034
9.190769
11.921946
10.198679
10.382997
12.419560
8.684948
9.121965
12.531651
11.564820
10.176769
11.663242
11.500763
12.393549
8.385848
9.747213
11.518052
9.175707
10.744660
8.543830
12.388282
9.790861
8.535939
9.920766
12.279336
10.509852
8.931595
10.391559
9.496975
10.528897
9.204931
10.192612
9.771884
12.190770
9.199148
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8.453413
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8.243812
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9.148991
9.037904
6.951903
7.994049
6.346171
8.553026
# Label of molecule (16)
0.830620
# Number of Instances of molecule (17)
4
10.533056
8.988227
9.684513
10.543247
12.488851
8.874606
11.471041
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7.166784
5.376202
8.384472
5.827143
8.549150
7.933409
5.822504
7.185949
6.967559
6.343638
6.728782
6.062380
6.330821
8.454176
9.059297
6.135380
6.627949
5.227760
6.972076
8.103702
7.716117
5.948241
5.377300
7.917783
7.852351
7.505860
6.999008
8.014542
8.910443
8.420316
5.831126
9.040330
6.679296
8.151143
8.693640
5.762276
9.023362
7.319208
7.217032
7.705451
7.031846
7.495727
8.843181
5.934156
8.996872
6.075152
9.183645
6.421964
6.845683
5.733467
6.245933
6.943342
6.629002
5.847606
8.402127
7.863903
5.938063
9.251152
5.973464
9.204886
7.127186
7.699957
6.308924
8.355007
9.215384
7.425291
6.229331
6.806986
7.343013
6.146077
5.715033
8.291162
6.657811
6.918928
8.709265
8.683386
7.506348
8.197531
6.915265
8.061419
8.803873
7.478759
8.459502
9.284478
6.459929
5.910108
7.297479
5.470763
5.733955
7.231925
7.236930
8.749916
8.393948
6.431364
8.452544
6.661473
5.556093
5.482360
6.368496
6.580050
9.079638
7.546510
6.783059
6.535127
8.389187
7.008774
7.110096
8.808145
5.604312
6.726173
7.613041
6.674413
7.847423
7.860363
6.506195
8.671789
5.605899
7.672735
6.797464
6.764992
8.025407
6.654271
8.749428
8.785195
8.006607
8.367458
7.831309
5.517273
7.982070
9.372738
8.039567
8.810953
7.247795
6.617161
6.458953
7.089099
5.724677
7.658940
6.942976
6.631687
9.024461
7.101550
6.783914
9.006272
5.694281
6.615329
6.252403
9.022385
5.518738
5.919385
8.877850
7.585330
5.748726
6.099322
6.345912
7.821665
6.135945
8.636143
7.889782
8.855266
7.648198
7.520631
8.046281
5.604190
7.737190
5.829783
8.656163
8.979293
7.038682
6.137898
8.980514
6.852519
8.374783
6.139119
7.809702
8.177023
6.937239
8.856243
7.439329
6.628269
8.525910
6.809549
7.388791
6.145589
6.715552
5.523133
5.736274
8.745155
7.828135
5.740181
7.947035
# Label of molecule (17)
0.830035
# Number of Instances of molecule (18)
4
10.380361
9.159514
9.463782
10.632747
12.270499
9.129736
11.328729
9.120568
10.390896
8.854373
8.632165
9.915718
9.574671
9.847128
12.617131
10.474312
11.599827
11.199603
11.763415
11.647479
11.820253
8.940245
11.150717
9.718106
9.842461
12.344198
10.569573
10.155626
10.938730
11.610292
12.506666
12.104582
12.046757
11.074952
11.573703
10.809060
9.943594
9.711810
9.266398
11.796767
10.023295
10.309109
12.720798
8.735879
9.115232
12.653859
11.418823
10.070924
11.766218
11.483856
12.636343
8.460843
9.570072
11.220112
9.178641
10.854516
8.564427
12.711088
9.741814
8.191129
9.938237
11.991642
10.495174
8.582017
10.889809
9.506854
10.417380
9.200753
10.259634
9.806611
12.136440
10.052786
8.004075
9.363148
6.067356
8.778871
10.391821
11.494822
7.045150
8.114405
7.451590
7.052756
6.592655
8.584711
8.391904
8.507490
10.610592
6.029123
8.221395
6.097836
10.179380
10.546402
9.717430
5.974608
10.291048
9.945675
7.517936
9.381448
6.991596
9.020638
5.927751
8.796974
6.128268
9.048546
8.247411
7.498159
6.388516
7.383739
10.836562
7.557446
9.279546
9.241642
7.260766
8.775849
6.144748
8.952040
10.024039
7.732417
9.126074
11.040524
6.305705
8.929165
7.988769
8.558045
8.116218
8.667410
7.887798
8.637705
7.874731
9.222259
8.255445
7.007170
9.526201
7.401084
6.973842
10.549194
9.327388
10.732182
6.957305
10.512475
9.981660
8.787078
9.172560
8.095697
5.226962
9.757721
6.469273
7.296695
10.075084
7.615094
8.375983
7.359956
5.589322
8.339489
8.135629
8.776952
8.185916
9.461181
9.884868
5.774847
8.197401
5.754608
8.714361
7.044089
9.453675
6.343513
6.599139
8.457717
6.923978
6.774560
6.138188
6.383923
8.746788
6.631733
6.161992
5.815546
7.705863
5.415387
6.973540
8.863979
7.913877
7.997620
7.348796
6.350475
5.206763
6.915189
5.989624
6.393933
8.421583
5.797113
6.343638
6.021729
6.227302
8.252876
8.665731
8.178411
6.386853
5.595813
7.197546
8.509110
8.321970
6.779565
8.339305
6.290170
7.859676
7.917661
7.687429
7.884213
7.032258
8.766320
5.816279
5.092502
7.807550
5.541856
8.675741
8.782678
6.622700
7.450117
8.480667
8.161687
8.599933
6.300302
6.969512
8.075991
6.313852
6.581317
8.902921
6.707419
5.992187
5.373272
7.680349
6.043458
6.017335
5.470199
6.949858
5.496200
6.610858
7.087924
8.083316
7.043977
7.570116
5.534043
7.394696
6.272225
8.936857
8.213569
4.976165
5.687613
7.468673
6.344005
5.025117
8.679891
7.790826
6.759423
5.539293
6.508072
5.103488
7.171911
5.253761
8.685018
6.317148
8.271676
5.694815
5.134129
6.493789
6.036866
8.226875
6.497208
7.468062
5.629627
7.965636
6.961943
7.521409
8.252876
8.434156
7.991760
4.988250
8.343211
6.835231
7.326212
8.665242
8.474929
5.817621
7.631153
5.899899
5.349345
5.607044
5.172460
5.235694
6.246223
8.381787
8.887417
8.485672
5.309305
8.763634
6.229499
5.109592
7.045076
6.302011
6.163213
7.773980
6.405286
5.825800
7.680227
5.963378
8.831874
5.535020
8.214911
8.523637
7.637257
6.712912
8.334056
8.008484
6.095462
8.927335
7.073275
5.707144
5.619984
8.601276
8.298776
6.225471
7.400922
8.824793
8.466018
8.496658
8.879971
6.283822
6.152593
6.098025
6.435194
7.182287
7.739433
6.738060
6.323618
7.556322
7.263344
7.881527
7.988708
7.687063
5.884640
7.652150
8.430006
8.877529
7.542161
9.006806
8.146794
9.576403
9.204199
6.533708
9.199438
9.170263
6.315806
5.703970
7.655324
5.932371
9.460189
6.236457
6.809717
7.275918
6.230720
9.457625
9.554186
7.186438
5.690420
7.527390
6.268197
7.710990
8.790246
6.407483
8.610920
7.374310
6.125370
8.446852
9.583605
9.401837
6.401135
6.458876
8.243233
8.621052
8.985443
7.167150
7.437788
5.918455
7.921445
7.891415
6.940580
9.125828
8.777306
8.352489
8.358104
9.210059
5.706046
9.468490
6.186041
6.645405
8.091372
9.018159
9.389019
8.837855
8.154851
6.046876
7.878353
9.479720
6.898587
7.889828
8.263741
6.710349
5.758904
7.686331
9.253273
6.954863
9.346782
6.263070
9.076388
7.318155
6.647359
6.258065
7.306192
7.408734
8.058046
8.362499
9.454085
7.467086
9.634510
9.554918
8.713584
7.674245
5.925413
9.201636
9.227882
9.513901
6.766381
6.900418
9.254860
6.064821
7.410199
5.941282
8.606159
6.099246
7.368206
6.258431
6.734397
6.858180
7.337809
8.750450
7.844783
8.383740
7.590503
6.842067
7.403485
8.280343
9.195898
7.164098
8.420606
5.780511
9.456648
7.223670
5.881588
5.990722
8.929899
7.943785
7.701956
9.191382
9.409162
8.943449
6.579363
8.066469
8.241401
8.436110
7.121494
5.739250
8.357006
7.619434
6.619404
9.486190
9.383648
9.432844
5.847407
9.004852
7.222449
7.556688
8.258858
6.114628
7.459273
7.529588
7.956236
8.758751
7.987732
7.856746
8.810633
8.187689
8.216987
6.985992
7.103183
8.197333
8.242012
8.026551
8.065981
6.396420
8.007920
7.988754
8.540407
8.400998
8.528321
6.181204
6.596133
8.301263
8.876354
5.258446
8.702155
5.502106
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5.472930
6.804392
5.418729
6.446226
5.197165
6.730659
8.023057
6.307550
7.045122
7.586398
5.256737
5.410672
7.046220
6.111621
7.187704
7.615452
5.751747
7.373867
6.782785
5.901410
6.143727
5.171896
7.172811
8.518921
5.224265
5.525666
5.284814
5.160909
8.159780
8.626713
7.716895
7.536470
7.854839
6.624943
8.729621
8.714606
6.830027
8.626347
6.230033
7.618381
8.281243
6.275689
5.622593
7.042192
5.190695
7.302576
7.402921
7.567354
6.371395
6.399960
8.367428
5.750282
8.312738
8.816782
8.316645
6.961013
7.707862
8.034288
8.124744
5.243431
7.535615
8.905164
7.051469
8.574343
7.571383
5.626865
5.171773
5.896527
8.202872
5.927168
6.796701
6.300226
6.425962
6.834666
6.762276
6.726875
8.895398
5.411283
7.460051
6.572573
8.903577
5.819864
8.485351
5.564974
8.166372
6.102588
8.776742
7.287683
6.287164
6.046678
7.124348
8.728156
6.775582
7.509125
8.918836
6.225639
6.496643
8.578860
5.017716
6.190603
5.423734
6.948927
6.605045
6.973342
7.572359
5.875530
5.916791
8.256584
5.986984
6.097095
6.709662
6.345271
6.659368
5.089496
6.346248
7.731544
8.250603
7.032670
5.372341
7.306116
8.492553
8.862804
6.462706
7.594577
6.144459
5.785195
6.607120
5.391873
5.379788
5.624058
8.415036
6.169729
7.476653
7.381802
6.411679
8.632939
8.687994
5.385647
6.202445
7.798318
5.167867
6.394101
8.377438
6.974197
7.825785
5.040056
7.035234
7.010453
7.986435
8.984878
6.798044
7.199057
# Label of molecule (18)
0.831573
# Number of Instances of molecule (19)
5
10.576449
9.035731
9.498561
10.741032
12.574542
8.942200
11.237799
9.361115
10.445744
8.709132
8.663896
9.976029
9.346682
9.974134
12.431294
10.479867
11.718348
11.015085
11.655588
11.640969
11.884148
8.882129
10.934101
9.744527
9.810672
12.234572
10.403397
10.120790
11.042868
11.603035
12.181746
11.976487
12.220831
11.246830
11.540504
10.896011
9.905557
9.709386
9.240353
11.823771
10.207170
10.338533
12.646205
8.702466
9.199925
12.647379
11.362454
9.972945
11.649153
11.422772
12.483471
8.351648
9.649167
11.542921
9.449672
10.855068
8.550734
12.142994
9.701026
8.557401
10.109594
12.172942
10.594803
8.522018
10.881514
9.044858
10.421394
9.443669
10.043879
9.771997
11.973098
10.306319
9.687692
10.094679
8.158869
8.831888
10.797127
10.988327
7.376824
10.194727
10.281519
6.841531
8.431219
7.694288
7.761358
5.915146
10.624472
7.863700
7.081492
6.515414
10.268127
10.739827
9.189738
5.658355
10.071284
8.477535
10.490392
6.293233
7.234577
7.413041
7.344357
6.392839
7.740565
10.359921
8.558831
7.585391
6.642170
6.206646
8.147072
5.595452
7.472063
9.291422
7.341566
9.500953
7.584339
7.542814
9.115907
9.516123
8.235667
11.502472
7.223178
8.301738
5.392060
8.552875
6.086781
10.217941
7.098863
9.643838
7.809729
7.572686
8.603710
5.233198
9.119011
7.107251
8.358928
9.704377
7.950025
11.057766
8.787899
9.087309
9.214699
6.040367
7.362993
6.529489
6.003303
9.155192
7.968440
8.247363
7.914428
7.429358
6.757712
9.692687
6.624744
10.425576
8.704846
10.020128
9.823222
9.709759
7.587959
6.260324
8.273688
8.013917
10.443318
8.691602
9.316030
8.675505
6.856609
6.650426
5.599979
7.922071
6.350490
7.253105
8.909162
6.497711
7.976028
5.769784
7.245170
6.117084
9.025987
7.210013
6.901776
7.638981
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8.975082
8.645970
7.984573
5.469726
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5.082873
8.144978
7.446593
7.385189
6.481964
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8.509247
7.119800
8.437956
5.838267
8.183065
7.560366
8.743507
6.408963
6.277612
8.751564
6.848186
7.455016
5.778329
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5.277337
8.527924
5.636723
6.972213
6.387967
8.003739
7.834910
7.556825
7.834544
8.161214
5.097766
5.125843
6.121357
5.625858
5.628666
6.312037
7.616276
7.057543
5.243889
5.630253
8.398892
7.954299
7.280572
8.669286
6.321558
6.449004
8.652196
5.461303
6.654820
5.972915
8.428800
6.908490
8.694189
6.661290
5.314570
7.137013
6.703406
7.376400
8.400235
8.657323
8.568575
6.222434
7.561342
5.202750
5.536622
5.428709
7.882885
7.124683
8.417814
8.472869
6.480987
8.214927
7.620426
7.323542
8.097491
6.835368
8.399869
7.674017
5.844005
8.225425
6.691321
6.042863
7.469176
8.864727
8.904767
6.618076
5.523560
5.766121
9.054430
7.716742
7.799631
7.572451
6.600986
5.737800
6.417875
6.333522
6.378811
6.482330
5.938734
6.837565
7.983352
7.715033
8.871685
8.372646
5.995865
6.843791
6.957076
7.792306
8.418546
5.590701
8.598483
6.761391
6.695105
5.531007
6.816568
8.056719
8.693213
6.373806
6.102435
7.795846
8.021683
8.859844
8.543916
8.473113
9.059923
6.151387
5.600101
7.673162
5.072375
5.590335
7.900830
7.340388
8.784646
8.697119
7.442198
6.477203
8.794046
7.287286
8.557466
6.148213
7.193289
7.580996
6.035539
5.662358
6.558382
6.606845
6.014054
7.574526
5.060289
8.833110
7.356624
8.310999
5.313959
8.200522
6.243309
6.577914
7.210990
7.047533
7.212699
5.226798
6.043840
7.193167
8.463469
7.002365
7.389340
5.573244
6.453398
7.096850
5.767220
5.181875
8.709693
8.697119
5.445555
8.191122
8.224082
7.397153
7.770943
8.126789
6.811075
8.354946
7.395688
7.973708
8.800027
6.064348
5.780160
5.084826
8.438688
6.621128
8.342616
5.771126
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6.354884
5.631596
6.444853
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6.703284
4.898907
8.194296
7.402280
7.204398
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5.661260
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6.387890
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5.491256
7.405988
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6.989471
4.827174
8.242927
5.470504
5.038240
5.850520
7.462020
7.968871
5.897275
6.299509
7.224830
5.128086
6.501297
7.204566
6.661092
7.285867
6.646687
5.671804
8.435072
8.793359
5.162999
7.813593
5.490768
7.537950
6.951872
6.203314
4.852809
7.424299
8.767113
8.228523
7.356059
5.192175
5.612842
7.717154
8.180059
4.945708
5.634449
6.212714
5.063753
5.767632
7.374493
8.272469
7.074801
5.795343
7.273293
5.163976
6.807215
8.132450
7.285501
7.335917
4.886013
7.971068
6.488357
8.036012
5.649831
6.300729
6.558428
6.453688
4.888455
5.577563
6.989715
8.760521
8.510636
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5.415693
5.641652
6.693564
8.174810
6.899991
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5.118442
8.698752
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4.883694
6.028748
7.370220
6.805994
8.806421
8.775658
5.892026
6.675985
8.556047
6.319163
8.522111
6.207465
5.671194
6.132023
7.838130
6.402417
6.117252
6.189276
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5.237587
4.929716
5.418622
5.478317
6.735923
8.288461
5.987854
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8.812403
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6.801233
5.925962
8.266976
8.535295
5.584399
7.878658
7.302347
7.683584
4.927519
6.074892
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8.053835
7.666616
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5.709159
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8.369030
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6.331492
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8.414686
5.527512
5.372845
8.068972
4.943266
6.495804
7.908444
8.310556
7.980102
6.554277
5.082919
8.115970
6.360302
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5.138585
6.878506
5.855159
5.019318
5.168859
5.748711
7.618152
7.945189
5.780084
5.000031
7.405255
7.201636
6.964446
5.388958
5.943785
4.891873
6.557939
7.379864
6.824793
7.055025
8.660298
8.114261
8.292856
6.083071
7.390118
5.995422
5.310221
6.943571
5.350993
8.767113
8.270028
8.081301
8.184332
6.956999
6.731040
5.874813
6.581744
8.564837
8.552629
5.522874
7.135105
8.865993
6.801965
7.235084
7.395489
7.208228
8.810938
6.602618
8.520280
8.675069
7.754875
6.023377
8.879177
6.491653
7.131199
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7.047700
6.510575
7.585925
8.211432
5.412275
6.936979
5.651173
7.403790
5.216712
8.350841
5.850276
6.208930
6.778771
5.410932
8.159185
7.047334
5.344401
6.089908
5.060213
8.373547
7.321635
7.417219
6.851894
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8.746849
5.009674
7.438704
7.301981
4.922514
8.480361
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7.846797
6.586627
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5.146886
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7.352763
7.410504
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6.520463
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6.288156
6.791345
4.968413
5.440107
7.688589
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7.560778
7.938231
5.870296
5.115513
8.095218
7.867550
5.428510
7.880734
5.477828
# Label of molecule (19)
0.859941
# Number of Instances of molecule (20)
4
10.591766
9.147608
9.499469
10.738411
12.266129
9.145139
11.221438
9.238954
10.520702
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12.129882
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5.510125
8.683829
11.057023
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10.332882
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10.588109
5.338614
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6.835231
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6.062990
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5.976440
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7.101718
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7.500412
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5.537584
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6.092654
8.479690
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6.453627
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6.407239
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5.518052
6.478286
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5.684194
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6.311289
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6.106082
8.731407
6.48