# Number of Dimensions
166
# Number of Examples
92
# Number of Instances of molecule (0)
4
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10.688970
12.522619
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10.899211
10.044023
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10.373744
12.662689
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12.570709
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12.377943
10.856404
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7.780251
7.531831
9.019059
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6.641057
6.509217
5.241234
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6.934278
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6.502106
7.278253
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8.151326
8.035478
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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
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6.394803
7.788278
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6.736244
7.658391
6.030534
5.206168
6.617588
7.537904
6.729774
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7.810816
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7.871120
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6.309915
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5.778161
9.273263
6.828120
7.794092
7.512101
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5.930143
6.880123
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7.406995
8.482955
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7.599750
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7.581439
8.357830
7.597430
8.300699
8.445112
6.096164
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7.909085
5.852870
9.327097
6.991821
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6.425153
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6.408795
5.458083
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6.416364
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7.634907
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7.537370
9.273263
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
4
10.449398
9.027767
9.595236
10.483163
12.471871
9.139014
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6.470275
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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
# Label of molecule (1)
0.809908
# Number of Instances of molecule (2)
4
10.532940
8.939337
9.574234
10.466902
12.331273
9.012225
11.348527
9.124600
10.338620
8.869641
8.556956
10.094604
9.578469
9.952950
12.621092
10.619650
11.480033
11.038651
11.599683
11.598159
11.810529
9.009235
11.015288
9.510755
9.801443
12.333966
10.557682
9.891027
10.813412
11.800438
12.304418
12.167572
12.096799
11.316974
11.692522
10.701321
9.839285
9.768226
9.031636
11.893597
9.941612
10.427053
12.686043
8.861073
9.071888
12.298533
11.542944
9.994724
11.544443
11.539624
12.510207
8.354318
9.521797
11.511024
9.342944
10.898328
8.533729
12.400524
9.511171
8.594043
10.107908
12.111925
10.879812
8.806763
10.874844
9.387909
10.486886
9.144715
10.506119
9.913886
12.269902
10.234036
9.707991
9.937671
8.530879
8.966260
10.655553
11.447019
8.668259
10.094591
11.697635
9.366710
9.792089
9.283634
9.445148
9.494210
12.233128
8.500016
11.242921
9.888680
11.378068
11.548479
12.320101
9.398038
11.862895
12.385996
11.706405
10.202062
11.086565
11.804822
8.860433
9.387974
8.698256
12.097960
11.380009
8.895014
9.097652
9.462891
11.503650
9.037744
10.481884
11.131223
9.135029
12.657387
9.516222
9.818634
11.679286
12.256537
12.386164
12.852610
10.142918
10.148895
8.967078
10.428900
9.025752
12.589423
11.256913
11.110534
9.214245
10.440398
11.971857
8.562520
10.607424
8.805988
9.453658
12.051583
10.668122
12.357703
10.434323
11.767251
11.340442
9.864845
10.048182
10.532600
8.657015
10.951412
9.813022
8.798283
11.445074
11.092767
8.336497
8.665151
7.393300
9.775254
8.162329
10.071556
8.935369
9.505195
11.548130
6.979750
7.773238
5.866717
10.047113
6.889728
9.143893
7.563706
6.543657
7.639882
7.916501
7.783807
6.983001
8.117435
5.844783
7.064913
7.161229
8.317759
4.902860
6.829554
4.972808
8.280282
6.453078
5.424848
4.856594
8.025147
5.566820
4.766625
6.138859
7.218238
7.817621
4.968902
4.994171
5.110630
7.877560
7.685904
5.898007
7.126072
4.794214
5.538377
8.445936
6.471389
6.823084
5.003327
5.416425
7.145848
8.687521
8.136479
5.949889
8.724265
6.145329
8.508194
7.719596
7.287820
6.734703
6.724326
7.970702
4.878567
5.573656
4.908353
5.300821
5.852840
5.090854
5.518845
6.058168
8.507462
7.559923
5.878719
7.231422
6.354442
7.313211
5.789361
5.707205
7.419904
7.511948
7.607044
5.769463
5.940245
8.344371
6.153874
6.716514
6.832728
7.529038
7.841060
6.469558
5.313883
7.998291
8.376720
7.048921
6.042055
5.635670
8.435682
5.792047
8.157353
7.943724
8.664937
6.189520
8.595843
8.515885
7.399396
8.212287
6.052065
8.188482
6.465041
8.006348
5.965026
7.747551
8.441542
6.830164
4.901761
7.064547
6.760949
7.108737
6.716147
7.537461
8.018921
7.479720
4.853664
8.711692
7.869381
6.707358
7.182470
7.954955
7.882809
8.338023
5.720267
6.062319
6.737632
7.973266
7.636464
7.666250
5.125645
7.034761
5.901547
7.325663
5.740287
6.896939
5.961241
6.169622
7.728507
7.261574
6.807093
5.971984
4.976104
6.648885
4.822779
5.528977
7.606922
4.881741
6.777306
6.217597
8.064699
5.437300
8.341807
7.608509
7.158788
5.539354
8.505753
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7.869137
8.265145
6.807215
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6.292795
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8.752342
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6.563677
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6.635701
7.426740
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6.844447
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5.476485
8.357067
4.970855
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7.559801
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7.658559
8.967071
7.809320
5.915952
5.892270
5.680837
8.210700
6.660237
5.419355
6.911222
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7.149388
6.827113
7.019257
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5.743339
6.987030
7.032929
6.282785
5.352580
5.742607
5.780084
6.390210
8.287606
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6.317698
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8.250008
6.320872
5.300333
6.185125
6.678915
5.883847
5.413251
7.666860
5.758232
7.251564
5.162023
7.868404
7.462874
5.977599
8.459609
7.802484
5.428877
8.664937
5.281045
6.878262
5.347209
8.166265
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6.723472
6.787194
6.620808
8.569720
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6.728599
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6.279855
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8.233406
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7.842769
5.063265
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8.260506
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6.797449
7.228736
8.128056
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8.894803
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6.224677
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6.533280
7.710807
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6.163152
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8.208869
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4.974639
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5.177770
5.911313
6.863369
6.196600
6.616291
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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
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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
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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
# Label of molecule (2)
0.825143
# Number of Instances of molecule (3)
5
10.638064
9.059038
9.491281
10.453291
12.470592
8.965835
11.215936
9.107355
10.488450
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8.665996
10.016128
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10.004015
12.420287
10.492587
11.642843
11.248579
11.751226
11.784774
11.909758
8.880960
10.908240
9.545397
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12.362144
10.525170
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10.985351
11.720213
12.498621
12.136247
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11.468324
10.855920
9.879845
9.772207
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12.725881
8.729430
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12.299848
11.392173
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11.448215
12.505719
8.470990
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10.873975
8.437740
12.610324
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10.098568
12.387274
10.914654
8.646365
10.764498
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10.413239
9.254358
10.370622
10.081993
12.083728
10.184261
9.937962
9.961888
8.357749
9.075285
10.625155
11.358939
8.605948
10.086445
11.615736
9.466307
9.886806
9.316007
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12.056896
8.339483
11.134824
9.866090
11.070205
11.375124
12.264702
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12.039997
12.379502
11.549656
10.210677
11.102933
11.710455
9.031993
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11.914556
11.192538
9.320704
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9.517421
11.511546
9.288361
10.591945
11.429469
8.959413
12.587207
9.316602
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11.842894
12.033966
12.415369
12.551236
9.741171
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10.004645
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12.346939
11.261367
10.972672
9.074144
10.089537
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8.272599
10.311096
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12.683689
11.023472
12.373302
10.067415
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11.157715
9.889080
10.154545
10.759862
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11.728815
8.631022
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6.803314
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5.725105
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6.457183
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9.016831
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6.672765
5.205435
6.304468
8.343471
7.826975
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5.203116
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8.000320
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6.796670
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5.663213
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8.404508
5.391598
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6.680212
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6.819498
9.016831
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5.697317
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6.178045
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7.661855
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4.792871
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8.472060
5.601733
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5.962828
4.916532
6.207831
7.215064
7.299539
5.398724
6.930876
8.664937
5.998962
5.935728
6.514359
7.701529
8.135990
4.947661
5.409955
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5.313272
6.779138
8.661763
7.586169
6.843837
6.695761
6.677206
5.370281
8.454237
4.933988
6.959685
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7.888302
8.681051
6.175726
7.794549
7.783685
6.859706
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8.592914
5.651418
4.788232
5.149815
6.222358
7.875362
5.014801
5.580370
5.757378
5.448897
8.345958
7.058687
5.628712
5.881771
5.953551
8.657735
6.621052
6.309030
4.874905
5.345256
5.861141
6.410230
7.479843
8.274422
5.735405
8.665426
6.556475
7.346782
6.611530
5.320597
7.889279
6.425977
6.241157
5.441206
6.203436
7.573107
6.715781
5.423994
6.352123
6.680380
7.853145
8.346934
7.620716
4.879666
7.888180
7.528794
7.022675
6.098575
6.343822
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
6.513520
8.275048
8.254906
8.522004
8.610874
7.961440
9.022507
8.426298
5.281182
7.440916
7.672613
7.611454
8.120869
7.975112
7.412473
7.216910
9.098071
6.719459
6.635716
5.149342
6.234336
5.218680
5.193411
6.871807
5.809153
6.957381
5.625919
6.933943
7.463134
6.839457
6.730811
7.120472
8.573885
5.473449
8.841472
7.091052
6.281457
7.136464
8.192038
5.387387
5.536683
6.293176
7.743171
6.683447
7.547975
5.544984
5.843577
5.151296
7.000717
5.882885
6.102496
7.820566
8.427274
8.120991
5.848338
7.804209
6.097980
6.383999
6.547823
7.267205
5.812204
8.525178
7.561892
8.011368
8.962325
8.347926
6.611057
5.553407
5.245415
8.507965
8.329249
8.570101
6.400601
6.969832
8.275048
7.584231
7.341426
5.893017
5.782296
6.769753
7.065172
7.823496
9.019822
6.747902
7.708136
6.062822
5.636540
8.250511
8.125507
6.095294
6.370083
8.526276
6.369228
8.941694
6.987777
8.363063
7.439817
5.319025
7.942030
5.603702
6.685644
7.480956
9.108936
9.028001
5.227103
7.610111
6.989731
8.476836
7.777841
5.643254
7.747078
7.094714
7.239616
7.399411
7.452513
7.563234
6.446989
7.887097
8.920454
6.201865
5.433531
8.668371
6.501556
6.811747
8.597934
8.150410
8.214743
8.135762
8.141987
5.683050
6.586886
8.811075
6.159505
6.335780
7.581057
7.689581
7.746101
7.228874
8.984176
7.399289
7.508423
8.294824
5.631413
7.023789
5.847362
8.344142
8.841594
7.773568
5.388974
5.311457
5.436949
5.524598
7.939467
5.555239
7.726814
6.099322
6.337001
9.088061
7.823740
5.164113
7.579714
7.610843
7.673833
8.619785
5.599796
6.227866
# Label of molecule (3)
0.826422
# Number of Instances of molecule (4)
3
10.625372
9.049251
9.671863
10.570605
12.331641
9.033403
11.495161
9.356507
10.418502
8.734064
8.502085
9.925038
9.336150
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12.512369
10.703617
11.459771
11.174904
11.707199
11.632506
12.012715
8.870112
11.003966
9.670754
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12.243513
10.601389
10.154944
10.919026
11.580722
12.217425
11.952858
12.009215
11.144803
11.615935
10.797549
9.998192
9.778816
9.162799
12.033418
10.194889
10.291652
12.509586
8.830622
9.105720
12.399528
11.333084
10.130738
11.576359
11.731308
12.484558
8.338324
9.716211
11.565004
9.275773
10.892146
8.567533
12.516475
9.649022
8.448066
10.119064
12.183864
10.837239
8.682036
10.752575
9.276639
10.455929
9.182640
10.300486
10.096428
12.238201
9.975798
9.923074
9.882159
8.514982
8.997902
10.522612
11.216072
8.716781
9.990944
11.777015
9.230751
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9.296472
9.587053
9.570906
12.237954
8.276269
11.244505
9.977063
11.140211
11.517876
12.413993
9.246843
11.822062
12.574944
11.744059
10.251309
11.167620
11.784346
8.989272
9.537228
8.897019
11.967122
11.559111
9.180223
8.778287
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11.886699
9.242347
10.702961
11.636845
8.956637
12.870535
9.113000
9.913540
11.801327
12.214182
11.956052
12.342847
9.653525
9.793229
8.864505
9.953380
9.134160
12.683535
11.288958
10.959288
9.025864
10.254843
11.690293
8.616725
10.036806
8.694787
9.242944
12.389892
11.163297
12.249038
10.204566
11.659212
11.696825
9.808016
10.601560
10.415152
8.680944
11.004642
9.601588
8.947664
11.526420
11.485559
9.931943
11.500333
8.785460
12.732865
9.894982
9.256067
9.653970
10.662969
11.106787
6.927301
7.852145
6.195129
9.904551
7.620728
8.195829
8.321841
6.267968
5.357784
9.150380
8.473601
8.095904
9.155751
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6.915937
7.228446
7.396664
5.940931
8.908918
5.903211
5.479247
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5.692633
8.023148
6.080218
5.424558
9.200308
6.495636
5.394406
7.980056
8.979232
9.126820
7.835032
5.832286
7.514832
5.944960
8.570406
8.764870
6.324244
6.829630
7.271905
8.816385
9.200919
8.319056
6.446928
5.882458
6.981124
6.472808
5.733894
9.059435
6.209861
6.665197
5.531983
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6.079608
7.181570
7.343074
7.384823
6.017960
7.495544
8.198325
6.705969
8.298181
6.100360
8.546968
7.365169
6.048235
6.770669
6.979904
6.834391
9.034776
6.127338
9.165517
7.431822
5.592288
5.384396
8.369594
8.359584
9.079943
7.148244
8.938337
8.484710
7.232475
8.148152
6.115375
5.737434
6.788125
8.770852
5.571169
9.001205
7.763131
6.274682
8.017777
8.369350
7.749702
8.559420
6.283471
7.645573
6.613315
7.363704
8.226035
8.960189
7.962600
7.769601
8.853984
5.378658
7.768014
8.885113
9.035752
7.378719
6.504181
8.581881
8.168783
7.067309
7.190237
7.163503
8.185263
6.016861
7.703803
6.836711
8.267907
6.592807
5.743049
5.863536
7.652532
8.648534
8.813578
8.268395
7.891552
7.461730
7.611148
7.973220
7.952345
6.789468
9.181143
8.239586
7.528016
6.913862
8.222983
7.288507
7.932936
5.556398
8.921125
6.975997
5.959731
7.532777
7.672308
7.398007
6.072649
9.026719
9.087390
8.300256
6.310572
8.354457
5.640507
8.167318
7.277520
9.097522
5.343989
5.866710
7.592593
7.476745
5.818247
7.723090
7.177419
5.844737
7.138478
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5.752815
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5.827280
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5.923109
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
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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
# Label of molecule (4)
0.860534
# Number of Instances of molecule (5)
3
10.518782
9.141947
9.648381
10.554790
12.380510
9.053518
11.252707
9.107275
10.421411
8.668408
8.624771
10.113960
9.544687
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12.637624
10.628904
11.687567
11.251934
11.610630
11.594546
11.788500
8.956088
10.917411
9.631442
9.739603
12.391797
10.648896
9.918679
10.971065
11.872938
12.250836
12.132112
11.941587
11.206752
11.645345
10.750690
9.925758
9.669007
9.032875
11.884894
10.068827
10.347399
12.588235
8.750091
9.277046
12.487139
11.617401
9.955706
11.546301
11.707341
12.312320
8.329059
9.627400
11.750954
9.284146
10.977705
8.505383
12.328396
9.542204
8.439932
10.136667
12.194123
10.713424
8.891467
10.848655
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10.418712
9.406754
10.402940
9.986110
11.980733
10.062903
9.706598
9.797572
8.394059
9.018459
10.583534
11.274312
8.700014
9.916001
11.518135
9.370596
9.691642
9.221160
9.625993
9.606822
12.100703
8.481850
11.223064
9.929595
11.390438
11.441641
12.316034
9.252207
11.953376
12.682908
11.559910
10.248727
11.142976
11.711334
8.831342
9.337306
8.953968
12.005278
11.474688
9.107160
8.827058
9.689198
11.873674
9.173226
10.709058
11.310367
9.248884
12.666205
9.212254
10.285142
11.696178
11.879060
12.272426
12.768914
9.937036
10.304669
8.522724
10.193049
9.311403
12.664222
11.264879
11.067610
9.011012
9.988418
11.835905
8.547806
10.100074
9.149114
9.556769
12.214399
11.177909
12.592847
10.298872
11.455575
11.516813
9.862765
10.503493
10.700169
6.500636
8.231725
9.065076
6.557960
9.058006
10.228320
7.534207
10.780483
8.595452
11.047442
9.346596
10.705107
10.675053
10.386390
8.768157
7.496097
7.563223
8.889848
10.330550
7.218548
6.981941
8.543220
8.168035
9.226295
5.266457
7.529099
9.194555
8.616047
8.954070
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8.614216
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5.509995
9.142308
6.906644
5.665273
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6.514054
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7.509934
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6.364513
8.915250
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6.218146
6.792871
8.266182
5.411603
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8.587237
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7.585742
6.777367
5.848018
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7.138096
6.351573
7.636158
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8.069155
6.052858
6.705100
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8.102969
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5.913572
5.731559
5.515488
7.017853
7.190710
9.082614
7.226844
6.734275
5.963378
5.279031
7.571337
6.834376
8.513993
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5.754387
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6.081668
7.486618
7.913999
8.243110
8.124821
5.373760
6.299326
8.219672
8.885342
5.518052
7.443525
7.629566
6.135624
8.072451
7.200842
8.936857
8.978607
7.456832
8.528642
7.669607
5.576769
7.177038
7.883969
8.046571
7.688284
6.352428
6.115238
8.251778
6.879910
7.331584
5.718375
7.732841
7.297403
7.767632
6.336802
6.898343
5.863155
6.529435
8.378124
7.587329
8.780236
6.825220
8.622761
8.688437
7.215247
5.909787
5.700430
5.281472
9.036225
6.755150
7.308267
5.678579
5.479720
9.054903
9.046113
6.737938
5.624134
6.940947
8.744102
5.825800
5.539903
6.786157
6.157598
5.802850
8.997406
8.466872
7.904843
7.408368
6.602313
7.462203
7.519700
5.417585
6.237312
9.164647
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6.948393
5.681997
8.775231
8.217841
8.290597
8.288522
8.160710
6.580340
8.633747
8.586261
7.047029
5.297952
9.069185
8.692099
7.922544
5.651845
7.239296
8.399243
8.027772
6.625996
8.011536
5.821284
5.805902
7.281045
8.549516
7.466475
7.190588
7.246864
7.016434
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6.793405
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5.920576
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6.859813
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9.014298
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6.464293
6.152638
6.520692
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5.198386
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6.918165
7.387661
8.368892
6.022629
8.871593
6.548280
8.061510
6.491638
8.663091
8.842174
6.938063
6.327815
9.060564
6.759590
5.475494
8.219962
8.793344
7.527070
5.444975
7.488861
6.700751
7.483367
6.197195
7.366665
6.372127
8.104480
8.626347
7.360927
7.154134
6.051927
7.689306
8.080676
5.400052
7.620090
8.354610
5.897870
7.836894
7.955672
5.855510
8.820688
8.923841
5.426420
9.123432
6.950270
6.078539
7.514008
8.275140
8.902356
8.645756
6.603580
9.031022
5.560823
6.481872
6.048265
6.936598
8.545412
6.033616
6.881664
8.265130
8.762581
7.781961
7.553316
6.472961
6.419736
8.929579
7.062822
9.087298
5.874432
5.205100
7.868511
7.895367
6.693548
7.659520
8.942396
7.316980
8.299799
8.329340
5.350734
7.827860
7.578707
6.642888
8.731574
7.316248
6.821604
6.442808
9.046159
5.241478
7.378872
7.501556
7.978866
8.474242
6.400327
5.403470
8.361080
7.689306
8.035752
7.669530
5.992111
7.190634
6.470885
7.998642
8.235099
9.039567
8.176016
6.502014
5.760048
6.361629
6.738594
5.803995
5.811930
6.711249
5.658238
6.885205
5.374905
8.362667
6.476989
6.543275
8.612430
6.408017
5.620151
8.345332
6.953566
7.533906
5.324366
8.947768
6.204886
6.352596
6.024949
7.658177
7.059404
6.164113
5.580599
9.114887
7.378628
9.021134
8.708258
6.958205
8.624882
5.975143
8.004013
6.368709
# Label of molecule (5)
0.825315
# Number of Instances of molecule (6)
4
10.658129
9.078132
9.612675
10.451175
12.300544
9.139964
11.226024
9.155865
10.521019
8.896530
8.655298
9.905365
9.613233
9.868840
12.660611
10.474710
11.656496
11.089631
11.529633
11.749471
11.865321
8.857369
10.902544
9.639426
9.834178
12.163841
10.414930
10.013564
10.875992
11.757279
12.182772
12.141115
12.183162
11.159841
11.746883
10.693441
9.871681
9.762732
9.149940
11.806469
10.185891
10.177171
12.700010
8.878471
9.204028
12.599616
11.393313
9.958038
11.711823
11.682972
12.476842
8.463330
9.644309
11.418700
9.198768
10.978365
8.509245
12.450334
9.580730
8.392497
10.317194
12.213317
10.846560
8.639281
10.677048
9.249020
10.384394
9.193842
10.332632
10.150502
11.926288
9.993456
9.692402
9.994650
8.396483
8.828734
10.443928
11.179185
8.734713
9.964910
11.791536
9.468036
9.815346
9.378410
9.535928
9.652449
12.050415
8.512102
11.117555
9.897642
11.118521
11.514401
12.543491
9.370162
12.072807
12.591866
11.617346
10.278981
11.317055
11.979765
8.804377
9.390088
8.767835
12.175818
11.446104
9.110596
8.909887
9.558402
11.842913
9.176789
10.793458
11.521427
9.022829
12.463797
9.481432
9.993715
11.319228
11.964039
12.234963
12.307510
10.015189
10.193580
8.488573
10.053802
9.348025
12.443678
11.177471
10.615315
9.064242
10.413866
11.805675
8.274798
10.325151
9.041983
9.486465
12.647065
11.193811
12.264352
10.381831
11.538420
11.459634
10.092363
10.160299
10.354703
8.389071
10.759873
9.935241
9.088152
11.455808
11.137881
10.126249
11.532141
8.861993
12.114020
8.764168
11.316570
10.351732
11.273081
9.169302
8.921328
8.870983
7.219537
9.603799
7.090316
7.557221
6.429895
8.442396
6.713218
7.709830
5.924131
6.853969
7.134983
7.803461
8.474258
8.203009
6.095279
8.477187
8.318125
7.106540
5.917417
7.829096
5.872372
8.223029
5.782769
6.057802
5.503220
7.415143
6.810022
8.387585
6.633381
5.655934
6.033631
5.923154
5.184851
5.552171
7.655385
7.309671
8.732933
6.358470
5.943419
8.071780
6.745323
7.360332
8.156865
6.507401
7.284158
7.498520
7.866573
9.012726
5.541063
7.110935
9.050935
5.708792
7.585925
7.666005
7.338969
7.251320
6.699545
7.364238
8.778344
7.692251
7.668813
8.481338
8.499649
8.272835
8.416272
6.328440
5.656301
7.020600
6.341990
7.705069
9.011994
9.026399
6.751061
8.718894
5.550584
6.275826
8.740867
7.847530
6.486770
5.910337
5.925840
8.117801
7.047212
7.793451
5.372723
8.277352
6.403027
6.256050
6.120914
8.833277
8.123905
8.896756
8.664937
8.832179
7.530625
7.312113
8.771752
7.259011
6.322459
8.631123
7.010468
8.926664
8.851588
6.729209
7.366192
8.733543
8.421033
5.998230
8.316172
6.162786
5.982116
8.544206
7.741203
7.899533
5.604663
5.691214
9.048494
6.438917
9.095126
8.664571
5.879574
8.563128
6.138737
7.328227
8.780908
5.559008
6.340770
7.852657
7.207495
7.053682
5.539598
6.186956
6.240913
6.342357
8.769799
8.210456
7.390362
7.082736
6.247261
5.439253
8.856594
7.232643
8.754295
9.163244
6.630329
6.103458
6.796594
7.885617
7.803217
6.407422
7.910154
6.944670
5.463057
9.170324
8.490005
7.188818
6.551103
5.387494
6.518876
5.580981
6.054628
6.297678
7.568468
6.609210
6.911466
8.146611
6.449171
7.375225
6.998505
5.320475
8.884060
7.164144
7.023392
6.335383
7.055986
7.696509
8.515381
7.178915
5.646641
7.758889
5.162496
7.883404
5.177389
6.589785
4.663579
4.999649
7.328700
6.362484
7.472869
6.502869
8.463378
6.894971
8.488769
5.137837
6.718940
5.852824
5.391629
8.448119
7.184530
6.319391
6.004685
6.355159
8.538697
7.607273
5.052751
7.171834
8.523804
5.187521
6.695746
6.916578
7.631199
7.611911
7.209067
6.810129
8.372188
8.300043
6.188406
7.825053
5.509552
8.071154
4.653325
5.166280
8.626347
6.292169
6.423032
7.555757
8.403317
8.517212
5.141377
8.196036
7.984970
8.495117
5.325709
8.290277
6.804636
8.419187
7.813089
7.990463
6.246025
7.293542
7.980453
5.650914
8.516114
5.292383
5.114032
8.261834
6.103320
5.985885
7.300623
5.935957
5.197287
8.308344
6.218558
5.327296
8.443846
6.143605
6.201346
6.852611
8.411496
7.403165
5.950362
8.593387
5.143696
6.470397
5.270653
5.752480
7.172445
5.887860
7.205283
8.540284
5.366359
5.161519
7.942488
7.365566
6.991897
8.557375
4.872448
8.206290
7.358486
5.763833
7.167074
7.034623
6.425840
5.299341
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6.172048
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6.533998
5.584140
5.449370
7.121296
6.204886
7.001053
7.045488
8.335810
5.298853
5.194113
6.881664
5.363918
8.176626
5.506012
7.445402
8.403684
7.814432
6.530091
4.918592
5.124042
5.038347
6.854808
5.486114
6.499817
7.625095
5.329859
7.698096
8.604373
5.145039
5.232810
5.762246
7.741554
5.423368
6.707465
6.642155
8.285882
8.492065
5.850993
7.832743
8.610721
7.909406
4.825449
4.692389
8.475707
7.323328
7.366665
6.204764
7.251061
6.149220
8.066759
6.661122
6.224464
6.238136
7.683370
5.854457
6.124607
5.797205
6.935911
6.239845
8.403607
5.453200
7.427625
7.065676
8.500656
7.020386
7.451796
6.127293
6.851680
6.528916
6.812250
7.524308
8.688040
5.493240
7.398083
7.659810
8.232215
5.611286
7.596088
5.357372
5.669027
7.767968
5.912931
7.970122
7.264290
6.217383
7.183966
7.355846
9.006043
6.822016
6.742058
5.596515
6.145482
8.218909
5.923551
8.333048
9.011902
6.792596
6.284524
5.592730
7.473281
8.326945
7.902493
5.984832
8.423627
7.211066
7.140263
8.136876
8.666555
8.076449
7.244636
7.249031
7.573138
6.737053
5.156682
8.640797
5.888150
5.310373
7.907743
6.164037
7.059572
6.392926
5.975799
5.359569
7.466445
5.164373
8.979553
5.229194
7.920804
8.298379
7.080691
6.501450
8.817072
6.550768
7.475234
8.263588
5.305612
5.904508
5.342723
8.836116
8.864925
8.142979
6.634144
8.765069
7.645772
5.728355
6.068453
7.804834
7.966216
5.860073
5.716758
5.770348
5.327342
8.587451
5.546220
7.129643
7.329966
5.851527
7.301157
7.214362
8.862972
6.333598
7.093265
7.922758
5.940519
8.980773
6.080050
8.789117
8.563524
6.087985
6.602283
5.295724
6.978393
6.809809
7.158208
8.303018
7.710227
5.975188
7.588885
8.469405
5.743370
5.084170
5.848598
7.541032
5.226386
6.357524
5.737632
8.382244
7.075198
6.716788
8.969665
5.623249
7.849269
8.569262
6.950194
8.800958
8.276528
6.272073
5.641926
7.865017
7.801782
5.151433
6.890500
8.928892
7.533708
7.951201
7.585345
6.135350
5.964812
5.586016
8.033113
5.515946
5.839930
7.075442
6.915525
6.717154
8.548753
# Label of molecule (6)
0.858972
# Number of Instances of molecule (7)
3
10.563564
9.019018
9.578205
10.714713
12.586957
8.967142
11.377986
9.178622
10.383284
8.731635
8.725416
9.917608
9.324898
9.997789
12.720711
10.610522
11.762233
11.159089
11.546085
11.573759
11.711794
8.880406
11.165922
9.734557
9.911766
12.316009
10.392549
9.911392
11.052497
11.562569
12.450751
12.123513
12.036435
11.383727
11.720208
10.863928
10.052994
9.690233
9.234332
11.806837
10.146945
10.339047
12.642882
8.717931
9.222311
12.583046
11.646596
10.074173
11.782446
11.550359
12.553908
8.361994
9.602478
11.530971
9.260595
10.798443
8.416015
12.549714
9.793447
8.467166
10.237717
12.221307
10.734657
8.848978
10.795266
9.443825
10.399152
9.157508
10.369696
10.094080
12.147715
10.076090
9.715951
9.783313
8.511078
8.917568
10.549411
11.354035
8.588416
10.008645
11.516020
9.249895
9.641997
9.172986
9.676529
9.607030
12.018352
8.485637
11.216255
10.107414
11.278123
11.633152
12.424928
9.288343
11.819542
12.666290
11.705824
10.283882
11.236605
11.751952
9.050455
9.442897
8.810093
12.204029
11.685777
9.297653
8.669657
9.744175
11.950219
8.935202
10.542601
11.342518
8.957270
12.497849
9.186967
10.027197
11.704412
12.089619
12.060632
12.550078
9.649273
10.388042
8.497935
10.076918
8.956634
12.472056
11.210640
11.064224
9.542995
10.326583
11.751523
8.414684
10.136263
8.667372
9.415484
12.304594
10.984996
12.765551
10.553786
11.661112
11.632879
10.102280
10.002494
10.778946
8.553234
10.722615
9.973174
8.116865
11.811286
11.618421
8.680281
8.711144
7.521252
11.058762
10.254037
9.031597
10.757334
9.250399
11.980228
7.288665
8.835107
7.888783
8.807229
6.575481
7.034606
8.703881
7.249687
5.074450
8.169271
5.160146
7.940748
8.098224
7.905103
8.773049
6.887127
5.977065
8.420743
8.840678
7.855663
6.234153
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5.475097
5.122547
8.597995
8.511200
5.067370
7.992264
6.615757
5.104968
8.380459
5.211783
6.195700
5.940931
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5.660161
5.954237
7.105518
8.835673
5.685797
6.243187
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8.093829
7.467345
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8.100787
7.686712
6.772500
6.411893
5.188467
7.862865
6.491485
5.927747
8.278283
7.388607
6.317896
6.056780
8.767800
6.335963
8.953108
8.268151
5.494385
7.614444
5.209098
5.199942
6.302515
7.117847
6.385891
6.945235
5.322382
8.365200
6.295434
7.015427
5.335322
7.507630
5.310175
8.859600
8.598727
8.578585
6.810343
7.813425
5.507813
6.859294
6.403470
5.352412
8.469207
8.238853
8.293664
6.524934
8.357753
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5.172964
5.440306
8.937361
5.986099
8.012894
5.685919
8.615574
8.789407
6.127461
8.549654
8.910138
8.225547
7.886059
7.921461
7.001389
8.580538
6.448881
8.750465
7.745186
5.736579
8.902326
7.930616
8.522309
6.977218
5.164663
6.491607
8.297937
5.782846
7.044725
7.970290
6.268456
5.494995
5.819102
7.834788
5.467895
7.721381
6.711951
8.840190
6.710852
7.359310
8.645482
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6.111103
7.640202
8.366665
8.497406
6.365871
8.237999
5.542604
7.262261
5.323969
5.324335
7.387387
6.750160
7.239311
8.723487
8.203940
7.829905
5.652470
8.941389
7.235527
6.862346
5.492798
8.433439
6.028336
8.495575
8.920515
8.770241
6.724281
7.794870
6.787759
6.075701
8.157308
5.084094
7.591494
5.115467
6.631260
6.873333
5.792611
8.406827
6.250755
6.432157
5.386593
5.789071
8.246666
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5.926160
6.209250
5.058336
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7.742134
7.580386
6.003311
6.636753
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6.507965
5.262932
7.730293
5.978408
8.152058
8.613376
6.632847
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5.814463
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7.574404
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5.368282
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6.468291
6.873089
7.517884
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4.859355
6.844035
5.974624
7.230399
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8.256920
5.191763
8.398404
5.006577
6.331080
5.138295
7.794870
6.348415
6.854900
6.691931
7.039232
7.818552
5.042711
6.363918
8.380581
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7.581606
6.121723
6.665685
6.864666
6.230003
6.942915
4.995956
6.190817
7.628239
5.361812
8.534394
7.206839
8.694189
6.882977
4.833964
6.005020
4.980209
8.136433
5.067248
8.199301
5.366695
5.651738
6.526399
6.833537
8.464934
7.121998
6.773843
5.972915
6.106952
7.037034
5.815683
6.846110
5.297113
6.557161
6.672887
7.420347
5.997818
7.505799
6.727210
8.278649
6.127216
8.352138
6.214255
7.679266
7.143239
8.063433
6.240867
6.667150
7.587344
5.697394
6.700720
7.117603
5.965102
5.613285
8.463103
7.582583
8.338221
8.174032
6.210227
7.817820
6.000381
7.816355
8.298547
6.864544
6.616611
6.362453
6.017350
5.560671
8.197104
7.449889
8.622166
6.356471
7.281671
7.951979
6.515290
5.310297
6.711951
8.267418
6.950850
5.139271
6.362087
5.350215
8.637791
8.198569
6.207297
6.358058
7.615787
6.266259
5.102649
6.792276
4.780862
6.008438
8.647557
7.005417
7.433653
6.997116
5.511475
6.950484
7.225394
7.159841
5.596072
5.047716
6.878948
8.532685
# Label of molecule (7)
0.841152
# Number of Instances of molecule (8)
4
10.559356
8.932036
9.461228
10.606069
12.563927
8.989339
11.372383
9.112353
10.273443
8.881365
8.592778
9.995711
9.567740
9.719049
12.494994
10.487538
11.514889
11.051722
11.800344
11.653127
11.814845
8.876103
11.101146
9.602354
9.912373
12.156191
10.406935
10.069634
10.841071
11.761760
12.215060
11.992910
12.025114
11.366670
11.439791
10.890383
9.892766
9.841029
9.025412
11.906000
10.219686
10.443215
12.734460
8.752787
9.058926
12.305437
11.407623
10.191994
11.548606
11.759569
12.430891
8.288321
9.744178
11.754328
9.264345
10.973692
8.447846
12.361537
9.586765
8.481140
10.256426
12.290483
10.784873
8.878361
10.624914
9.477544
10.588513
9.150013
10.406225
10.161214
12.189022
10.244644
9.740754
9.972347
8.435793
9.001505
10.472739
11.413777
8.614846
10.130974
11.527027
9.456173
9.801812
9.285666
9.535457
9.647457
12.258432
8.396625
11.135786
10.116973
11.243741
11.424089
12.466050
9.230085
11.822526
12.587791
11.543906
10.282582
11.097141
11.688399
8.944096
9.405235
8.901594
12.254087
11.377475
9.318730
8.996229
9.651005
11.454913
9.020485
10.570199
11.446614
8.898110
12.801955
9.184557
9.949384
11.469572
12.051464
12.444231
12.221606
10.019199
10.114392
8.719794
9.926579
9.211016
12.667901
11.266906
10.632184
8.979917
10.180465
11.515512
8.668310
10.537872
8.845941
9.117850
12.497317
10.609456
12.477784
10.138321
11.808559
11.193482
9.913112
10.169131
10.475445
8.692585
11.131657
8.398081
8.770178
11.590687
11.609349
9.289286
9.068803
8.156930
10.184731
7.896232
11.821705
10.169968
8.820743
10.129683
6.783876
8.120711
7.799016
9.757379
7.012634
9.455960
7.025281
7.135060
6.313868
6.627110
8.264245
7.164113
5.164296
8.872295
5.847545
5.703986
7.746651
6.351955
5.388546
6.606479
7.977004
6.646764
6.679968
8.930525
5.823618
5.218253
6.718543
8.319910
5.804453
8.893780
5.699103
7.561953
8.070757
7.216117
6.531159
5.199698
7.450987
7.538392
6.254784
9.075426
5.831797
7.733100
7.729438
7.676214
5.249138
6.395779
5.971572
6.162496
7.065477
8.414396
5.515137
7.948683
8.607639
5.781014
7.171072
8.713965
6.641636
7.521790
8.560030
7.719428
7.057299
6.617588
8.793313
7.302789
6.139180
5.793222
5.677740
5.429075
6.798746
6.047502
7.818918
8.170370
7.142140
7.802072
5.996597
6.990280
8.748756
8.540498
6.190817
7.709174
6.036515
6.816446
8.629978
8.022050
8.087237
8.502899
7.236625
6.448271
6.308008
5.158681
5.849254
7.584414
7.304376
8.387783
5.589602
6.537507
8.337977
6.064837
7.755562
5.412717
6.746864
8.304041
6.611240
8.731422
8.700537
9.043809
8.451384
6.652135
8.665868
7.125294
7.313044
8.873882
8.959822
8.736793
5.712287
6.091449
6.762490
7.100269
6.778115
5.882580
5.966323
5.276482
6.159688
7.898389
5.235954
5.960952
6.083270
5.233634
7.654363
6.147237
7.931349
8.853008
7.329646
8.533174
5.720832
5.945082
6.338282
7.543397
8.854595
9.082751
5.378414
5.844859
8.520722
7.062059
5.509888
7.229057
8.117023
6.296655
8.355190
5.736335
8.071856
5.640996
8.135090
8.897809
5.439451
5.519532
6.917768
6.969161
6.644322
6.234031
6.450713
6.031632
5.747200
8.326746
7.956252
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6.611484
5.872936
5.261345
5.260613
5.341670
5.577883
6.639439
6.334422
6.517045
5.002350
7.353618
5.432417
7.742058
8.229499
7.549425
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8.488296
6.700278
7.792230
5.961852
5.570238
6.699423
5.798151
7.036836
8.244636
7.364605
4.900296
5.066561
7.191137
6.967498
4.902249
5.231727
7.831294
5.810968
8.204230
8.088992
7.357158
5.620411
7.578234
6.285470
8.845607
7.299905
7.966063
5.827815
7.834223
6.932218
8.676656
6.781335
8.733543
7.895749
6.355541
8.272958
6.448439
4.972808
5.104282
8.674093
6.587725
6.326609
6.122257
5.839045
7.632801
5.218421
7.246559
8.272591
6.443312
7.343852
8.767113
6.101138
6.473708
5.659841
7.887936
8.725852
6.075137
8.580584
6.214057
6.027894
6.258858
5.412885
8.635151
8.006104
7.295022
6.911954
5.982971
7.716422
5.522996
8.826930
7.838374
6.393750
7.747795
8.314341
5.860042
5.626637
6.595782
5.094516
6.013367
5.462081
6.208808
5.224158
6.071108
5.315592
5.647511
7.361309
8.763695
6.560747
5.381024
5.397992
6.952361
5.672170
8.237556
7.334574
7.201270
8.800806
8.191168
8.271493
8.122806
8.650899
6.359447
5.393109
7.870235
6.538896
7.586901
8.818873
5.155919
8.506485
4.989166
8.196417
8.166875
6.361766
5.833918
4.912137
7.752312
8.528459
6.131535
5.794000
5.262856
7.570544
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8.181158
7.410138
5.275430
6.366894
8.235481
6.526566
6.164617
8.815577
6.371654
6.598102
8.309580
7.898068
5.678396
5.444990
6.327219
7.342509
5.206336
5.426923
7.430525
7.097385
7.999512
7.045625
7.408429
5.399701
5.742729
5.821345
7.410260
8.553728
7.902463
6.818323
6.410474
5.795343
5.233436
5.192053
6.227241
8.618671
8.131046
8.095889
5.644276
7.766533
8.960295
8.613605
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7.342204
6.010620
5.786126
8.877529
8.624104
8.385449
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6.013672
6.522843
8.072451
6.521378
5.085055
8.823328
6.666280
5.075900
8.665120
5.396710
8.770104
8.287667
6.892972
6.436903
6.951567
6.498795
8.661092
8.094058
5.130222
5.857418
7.918394
5.882809
5.267678
5.877926
8.968108
6.238289
8.238472
6.586566
8.629719
8.596026
5.754631
8.628864
7.146153
8.368969
6.222175
7.711600
5.705679
5.200171
7.399091
6.757958
6.457778
6.862331
6.735984
7.146153
8.895108
5.180517
6.269417
6.410291
6.477676
6.354625
6.945708
7.777886
5.375469
8.054384
5.249733
8.915860
5.201636
5.662832
7.012726
7.265419
7.613697
8.043764
7.274819
5.336039
8.656697
5.206885
7.078158
5.335551
8.723838
8.247383
8.063784
8.511917
8.009217
7.932066
7.747978
8.579791
5.327494
8.311838
8.354808
6.609394
8.175848
5.729850
6.076418
8.750694
7.913266
5.604480
5.639637
6.167608
7.931822
7.360759
7.051180
6.559954
6.695578
5.884518
5.397809
8.644856
7.520676
7.875912
6.577044
8.974578
8.974334
7.475143
7.830988
8.465529
7.763604
7.538377
5.961058
8.013245
7.994079
6.935209
6.097293
8.567583
8.668661
8.245918
5.896359
9.044527
7.303995
6.231452
8.045839
5.448836
7.540330
7.452315
7.946593
8.582598
8.616535
5.410260
5.451033
7.714042
8.589068
5.589343
7.530442
5.584216
7.167028
8.769616
6.746971
8.121891
8.040223
6.988922
6.405774
6.246590
6.573504
8.530229
5.261574
5.131443
6.743919
6.304209
8.654744
6.302866
5.195166
6.008423
6.951689
5.949828
# Label of molecule (8)
0.820122
# Number of Instances of molecule (9)
3
10.532303
9.096746
9.664720
10.717781
12.426744
8.893842
11.438531
9.203285
10.394726
8.877658
8.661465
10.066105
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9.871588
12.684562
10.455027
11.761096
10.970835
11.471224
11.567913
11.752116
9.056876
11.036987
9.602964
9.739731
12.465960
10.672108
10.118651
10.990353
11.777450
12.347473
11.911637
11.976771
11.366832
11.466167
10.654806
9.994654
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9.141554
11.864365
9.976655
10.405229
12.575196
8.836427
9.301242
12.498186
11.545285
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11.848127
11.548377
12.347272
8.353004
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11.661776
9.356251
10.904263
8.566196
12.342359
9.793957
8.402706
10.103503
12.414953
10.782793
8.785638
10.623159
9.365426
10.309393
9.251389
10.456688
9.992237
11.950595
10.183838
9.798662
9.811980
8.539648
8.888911
10.558612
11.464523
8.809342
10.052818
11.718021
9.351746
9.720225
9.332934
9.671746
9.484244
12.309264
8.330342
10.966085
10.049482
11.268702
11.347444
12.540820
9.350357
12.100135
12.379284
11.744941
10.297907
11.198570
11.897473
8.956537
9.444825
8.896192
12.087544
11.394869
9.153771
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9.665390
11.712182
9.115518
10.614343
11.347944
9.099650
12.600453
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10.223366
11.278362
12.126524
12.477630
12.571450
10.104289
9.903394
8.738072
10.087802
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12.840731
11.201831
10.660656
9.156296
10.054522
11.892784
8.641824
10.102862
8.735329
9.060955
12.586840
10.925576
12.492331
10.388345
11.657668
11.517924
10.083541
10.488984
10.461844
8.548248
10.634615
10.020466
9.061577
11.312424
11.555808
10.322411
11.395019
8.371032
12.790553
10.321724
11.755237
9.807521
11.196442
9.304749
8.121721
8.630029
8.569451
10.200693
7.498627
8.182119
9.429988
8.472991
5.173696
8.837138
7.235649
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6.854167
8.950423
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6.529206
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7.227958
7.953200
8.866070
6.820231
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5.612308
6.225120
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6.538118
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5.359371
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7.148732
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6.896649
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8.440886
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5.978286
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5.964614
5.586184
8.412687
6.954512
8.980331
8.635838
5.603275
5.691534
8.409879
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8.569552
5.896619
6.248802
5.939222
5.116077
7.420103
8.552950
5.359615
6.373440
5.699957
5.943617
6.632603
7.611637
5.734138
8.824442
6.179952
5.702887
6.732093
6.683264
8.318079
5.607547
6.321314
6.855510
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6.258202
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6.123066
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6.217307
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6.524812
6.719031
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6.554842
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6.505524
7.917310
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7.189016
7.630070
6.238304
7.428037
6.312159
6.902875
6.469512
7.997635
8.980697
7.029954
8.399014
6.066057
5.847179
6.851604
6.133442
7.967849
8.897565
6.745643
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6.309961
7.411679
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6.590854
8.794534
6.414090
8.854595
8.156819
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6.781655
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5.700934
5.566774
5.581668
9.004257
5.536500
6.598056
8.189535
8.305261
8.697119
8.752052
5.321406
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5.121204
5.332026
6.215964
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7.423643
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8.337977
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7.627140
8.013382
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8.620899
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6.038667
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6.481552
7.647603
7.921049
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6.069552
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6.871334
7.043947
8.431684
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8.391278
5.251167
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6.726188
8.434370
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8.659108
7.323374
5.493240
8.550096
5.515580
6.510727
7.729392
8.824030
6.631336
7.098148
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6.463973
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5.720420
5.442946
6.445784
7.861110
5.798425
8.298746
6.281472
6.141575
7.990997
7.614032
6.295999
7.783227
8.015046
7.794946
5.459426
5.180364
5.707358
8.227821
5.647664
5.994476
7.204718
7.061403
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8.089145
8.113804
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8.707083
6.050264
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6.450911
5.726524
8.669607
8.922422
5.491165
5.597858
8.761040
5.322214
5.880337
8.934385
8.690359
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8.642506
6.845943
6.989624
5.732139
6.502670
8.708792
5.432814
5.092471
6.584094
5.362987
5.947966
7.298471
5.878140
8.617481
8.738823
7.704489
5.863247
5.931486
4.994079
5.702231
6.646962
7.153691
7.556658
6.937742
7.005860
6.188818
8.928892
5.147771
6.700552
6.470321
5.988617
7.486709
5.437086
5.111759
8.792657
5.221625
6.853877
8.614185
8.838069
5.669759
# Label of molecule (9)
0.870599
# Number of Instances of molecule (10)
3
10.490600
8.945260
9.585194
10.470077
12.554884
9.043186
11.511472
9.245299
10.334329
8.872354
8.616224
10.016622
9.503397
9.823215
12.502204
10.629729
11.718617
11.094208
11.729352
11.523432
11.928522
8.864572
11.003259
9.753048
9.695422
12.317052
10.630334
10.118828
10.831145
11.712134
12.470437
12.199088
11.929097
11.143097
11.632586
10.697651
10.055582
9.916644
9.259269
11.739071
10.044274
10.354287
12.637450
8.816908
9.239562
12.458251
11.639841
10.142377
11.777691
11.547582
12.488145
8.317065
9.711790
11.547110
9.439803
10.904145
8.529207
12.348455
9.738519
8.616606
10.043463
12.112322
10.734774
8.638673
10.781118
9.250342
10.308539
9.219846
10.242346
9.900115
11.947159
9.994031
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10.010405
8.445180
9.002356
10.429358
11.224439
8.612626
9.994390
11.770061
9.463526
9.833691
9.182169
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9.577668
12.103137
8.444726
11.097117
10.063811
11.224222
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12.243644
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12.651220
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10.013983
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11.854878
9.070541
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12.110003
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11.719880
9.199042
10.543540
11.588675
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12.870228
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10.109797
11.335463
11.884652
11.855792
12.658818
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10.032414
8.512245
10.511848
9.198956
12.355566
11.166775
10.587220
9.077599
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11.759955
8.551966
10.119668
8.770173
9.542415
12.392233
10.874256
12.460060
10.065734
11.468099
11.595733
9.821257
10.089378
10.274435
8.639809
11.029816
9.834259
8.601900
11.842878
11.168052
10.391111
11.293287
8.856501
12.376809
10.619815
11.780583
10.856522
9.482014
11.134624
6.495274
6.665013
6.987705
8.634198
7.189203
6.887603
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7.842265
7.724708
5.546907
6.305841
5.805094
5.925214
7.450041
5.154073
6.251885
8.286370
4.855113
8.740730
7.073687
5.576937
6.491882
7.985580
5.438749
5.381252
6.703192
7.945418
6.354060
7.606662
5.206687
6.037400
8.344600
5.767373
8.160878
8.474609
6.124683
8.415281
5.409940
6.286676
8.136830
5.094378
4.785409
6.302057
4.832041
7.194296
6.334895
6.465880
5.568514
8.076281
5.357082
6.868236
8.000717
4.847911
7.116535
5.859661
5.837565
6.162404
6.112110
8.626347
6.841746
8.414304
4.776009
5.601840
6.946120
8.710334
8.477538
8.089953
8.362911
4.987808
7.705176
6.472350
7.559542
7.656957
8.305902
6.379330
4.977432
5.140889
8.650884
8.193838
6.366634
7.690527
8.609378
5.268700
7.614231
7.845927
5.199240
6.228690
4.938246
5.922895
7.794290
8.733406
6.326106
6.897046
7.760231
6.076098
6.087085
5.061052
7.395352
5.995163
6.400082
6.831858
7.051714
7.068682
7.726661
8.079089
7.309900
8.071520
7.966659
8.353877
5.084246
7.669164
8.231193
6.389828
8.532594
5.820353
5.108295
7.253624
5.645177
8.267815
7.294641
5.517243
7.389615
5.488067
8.470214
6.831126
8.283197
7.478973
6.290094
8.268059
5.272851
5.756142
7.368496
7.817606
5.792276
7.937849
8.129383
7.403043
5.874920
8.288079
7.400235
7.797098
5.196677
7.597751
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7.810160
7.922834
5.775796
7.552583
6.128590
8.234977
8.526490
7.335292
6.175100
5.412381
7.487396
4.812143
6.368099
7.344203
7.203574
5.952559
8.154286
7.343471
6.313044
6.274590
8.190054
5.144673
6.317194
6.133839
7.045854
4.953139
7.312952
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4.809214
7.014939
8.102618
6.591464
5.903577
6.031755
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7.763985
5.070177
5.504517
5.641362
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6.843303
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6.174825
4.957503
8.159505
5.487548
7.058641
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6.121967
6.141133
6.709876
5.342402
4.959700
5.121937
4.939802
6.512116
4.946028
5.518677
7.245170
5.220206
6.654698
8.338466
7.371761
8.803323
5.925672
7.084155
6.526521
5.481567
4.917707
7.699896
5.614383
7.315485
6.621494
5.757698
8.871563
7.591372
6.208762
6.761391
7.273370
5.512940
6.592196
5.443480
8.091144
5.072008
7.571474
5.928602
6.970992
4.973006
7.940382
6.639195
4.912336
6.488800
5.929579
7.818064
6.518952
8.119831
5.360225
5.544557
5.899182
5.933729
8.884381
6.115741
8.589328
8.459319
5.684210
8.671850
7.875072
5.009995
7.010788
5.937025
7.887158
8.313196
4.929548
6.954390
7.844554
6.316675
7.655339
7.685858
7.821970
8.053423
6.845744
5.356319
6.415189
6.432402
6.232078
6.413968
6.679968
6.836955
6.960616
7.982376
8.719581
8.400601
7.019822
6.680822
5.295404
6.839396
6.128193
6.686071
6.836833
5.712775
5.458983
4.911969
8.223228
4.989853
5.574709
5.180288
7.715155
5.794321
7.948683
7.259697
6.409574
8.205649
7.446226
6.646031
6.592563
4.987777
5.143056
6.961104
5.365474
8.125446
8.854595
8.842021
5.920301
7.037278
6.748939
5.198599
6.837565
7.345271
5.424924
6.713660
7.783395
5.073473
5.821909
7.458800
7.979812
5.151601
8.343104
6.503327
7.823069
7.097827
8.563814
7.391293
6.025895
6.756508
6.900922
7.358699
6.658483
4.966170
5.618778
6.169332
8.461516
8.031449
8.544893
6.442656
6.809122
# Label of molecule (10)
0.856936
# Number of Instances of molecule (11)
4
10.372312
8.961117
9.494826
10.554334
12.410165
9.114857
11.442233
9.221514
10.403921
8.769132
8.510022
10.096857
9.486879
9.734415
12.579657
10.466272
11.673614
11.181044
11.730428
11.578016
11.938981
8.834306
10.918049
9.655368
9.827624
12.244277
10.539487
10.010603
10.910714
11.635090
12.299699
11.931036
12.086806
11.242652
11.556814
10.739120
9.909737
9.759700
9.032884
11.824759
10.118404
10.304447
12.435648
8.772512
9.313842
12.385611
11.570179
10.145888
11.648249
11.436170
12.382311
8.442280
9.631319
11.594764
9.386581
10.696231
8.546443
12.346021
9.557228
8.396009
10.052614
12.131700
10.814446
8.788945
10.901749
9.304106
10.523277
9.346541
10.388930
9.956378
12.203607
10.170650
9.866310
9.866702
8.486212
8.947474
10.591574
11.477702
8.730672
10.032707
11.771263
9.304493
9.630520
9.132558
9.630975
9.457622
12.187078
8.401413
10.972974
10.147750
11.136303
11.638719
12.261490
9.267065
12.005880
12.373182
11.540512
10.139272
11.238220
11.652333
8.934413
9.606451
8.771099
12.101162
11.439419
9.124553
8.850560
9.610778
11.682581
9.201253
10.594290
11.484667
9.200834
12.685986
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10.287488
11.722944
11.953844
12.238650
12.766488
9.805017
10.338720
8.963728
10.313149
9.011060
12.440131
11.316910
10.768641
9.397604
10.318820
11.410748
8.636344
10.209767
9.129319
9.412507
12.686680
11.088233
12.391180
10.156811
11.841476
11.563708
9.709049
10.039178
10.406704
8.896215
10.767968
9.591272
8.776906
11.775588
11.503233
10.120722
11.413559
7.925852
12.144824
9.470963
10.920023
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10.988609
9.698831
8.149215
7.516765
7.155217
7.089290
6.002258
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6.669322
8.857524
7.783639
8.607517
5.266961
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7.554384
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6.573275
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8.736549
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6.928510
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6.995407
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7.588443
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8.016434
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5.820200
6.678381
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7.549013
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8.377529
6.934248
5.685919
6.301660
5.261467
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6.314966
6.383816
7.735908
6.193503
7.916456
8.996811
7.152150
7.506897
5.317011
5.901502
7.631169
8.349940
7.636784
5.082141
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7.741157
6.924604
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5.844859
7.704047
6.100360
5.124134
9.060167
7.073046
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6.259301
5.823618
5.923231
8.483612
6.432157
6.299707
7.995315
8.839091
8.217490
7.715644
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7.167653
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8.693701
8.432096
7.381893
7.497375
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8.350063
5.380001
6.484161
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5.124989
8.094684
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6.074358
5.472411
8.854595
6.660680
6.737587
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7.236137
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5.130238
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8.242637
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8.976058
8.663549
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6.088519
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6.041887
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6.188864
8.053423
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7.047044
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6.141865
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8.389370
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8.208457
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8.325892
6.088153
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6.524323
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6.639927
7.590640
7.404965
8.840556
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8.477142
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7.454039
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6.482086
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5.656499
7.785836
7.363460
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8.131428
6.949629
5.884777
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6.243309
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6.773476
9.270623
8.560030
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8.471282
6.986984
5.438475
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6.076312
5.816660
8.473968
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6.437284
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8.368130
5.435423
6.619663
8.889996
7.525575
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6.989425
5.943861
7.064501
7.465026
9.158193
7.987259
6.213889
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8.445891
8.244102
7.900342
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6.597812
7.401181
5.964370
8.265831
8.186117
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5.739998
8.085528
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9.118641
8.585665
6.703772
5.325800
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9.031968
8.822611
5.632084
7.431211
8.422208
9.093860
9.133168
6.256249
6.919233
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6.508454
6.894086
5.755501
7.137989
9.011826
8.798685
5.599246
5.765877
5.724006
7.372250
8.913800
7.844798
7.986648
5.423582
8.183065
9.094470
5.889172
6.587680
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8.950911
7.687201
8.080645
6.054460
5.630375
7.023972
8.166219
7.404965
7.842479
8.832621
5.708258
5.729621
7.524598
6.792276
7.184133
7.610172
7.977737
7.215262
6.532624
7.216605
7.773141
8.236778
9.215567
8.103717
6.808634
9.186270
5.862560
5.874279
6.888836
7.012497
6.878948
7.585879
9.202506
6.638707
7.387753
5.772225
9.074084
6.121967
5.884045
6.959883
6.364040
7.492981
# Label of molecule (11)
0.859978
# Number of Instances of molecule (12)
3
10.606755
8.931286
9.561811
10.530879
12.574954
8.957585
11.474539
9.381737
10.455468
8.818704
8.626482
10.102378
9.520464
9.745424
12.633641
10.474691
11.474562
11.257062
11.761108
11.553917
11.799578
8.785098
11.102779
9.487849
9.859688
12.205242
10.592756
10.101060
11.080612
11.816585
12.447835
12.027221
12.221437
11.318135
11.639027
10.709133
10.071761
9.689606
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11.916943
10.050166
10.382636
12.721946
8.844001
9.277514
12.551940
11.373500
10.046954
11.833903
11.454666
12.364541
8.326414
9.793538
11.529795
9.340931
10.729871
8.424984
12.525624
9.757564
8.506669
10.322356
12.355412
10.732743
8.726033
10.785432
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10.376578
9.232630
10.277299
10.072656
12.112142
10.278190
9.696120
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8.470815
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10.499229
11.305238
8.645784
10.094665
11.696474
9.302051
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9.175124
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9.550901
12.271650
8.466470
11.147580
10.003723
11.164627
11.421300
12.465855
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12.435412
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10.157161
11.202849
11.750111
8.897323
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12.221064
11.631535
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10.159113
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10.047662
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8.606434
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9.079022
12.273147
11.187805
11.127007
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10.306302
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9.257048
12.104807
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10.147663
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10.547251
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10.659315
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8.410489
7.331233
5.482665
9.082873
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6.461699
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6.589755
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7.032151
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6.422025
6.813272
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6.198874
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8.779763
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7.628117
7.309259
5.802011
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6.962813
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6.401883
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6.327784
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7.925245
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6.137715
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6.434111
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5.909070
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5.267937
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6.041765
5.179067
7.484802
5.776498
6.912275
6.683142
9.034776
6.296167
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6.082293
6.684973
8.931379
7.142750
6.386013
5.197256
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6.513825
8.928205
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7.938551
5.865368
6.188498
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6.966597
8.132405
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8.041704
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7.217826
5.332881
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6.253807
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6.441313
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7.695502
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8.882061
8.051836
6.870403
8.588229
6.096698
7.730781
5.677007
8.081500
# Label of molecule (12)
0.852608
# Number of Instances of molecule (13)
5
10.385389
8.992083
9.680306
10.634262
12.267723
9.077022
11.468763
9.248977
10.412368
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8.926298
8.155278
8.894070
6.910978
6.237007
5.710013
5.444868
5.489181
8.392468
5.995056
8.108524
7.327982
8.259774
5.953307
7.867672
7.202246
8.207038
8.120121
4.951201
7.295389
6.934904
5.510788
8.895535
6.208563
6.737022
5.345744
7.723380
5.742851
6.066713
6.984222
6.116153
5.831233
8.282357
7.446150
6.451735
7.992309
7.447371
5.893979
8.585711
5.683767
6.060488
8.450575
6.248726
5.929014
5.590625
8.727561
7.937742
8.591937
8.691061
5.440474
8.171758
# Label of molecule (13)
0.816417
# Number of Instances of molecule (14)
5
10.668138
9.158729
9.664675
10.612816
12.549907
8.873787
11.362509
9.333130
10.356839
8.793704
8.583757
10.018558
9.390879
9.730206
12.493024
10.594878
11.740606
11.057461
11.789303
11.799258
11.745731
9.009183
10.881592
9.743188
9.909082
12.434468
10.431481
9.909281
10.963190
11.703161
12.456604
12.225034
11.950422
11.144379
11.633959
10.963324
10.028148
9.738833
9.030159
11.979905
10.045390
10.323626
12.406379
8.866732
9.239844
12.652555
11.573864
10.129465
11.839893
11.638145
12.449943
8.436865
9.766866
11.439864
9.398606
10.996497
8.514519
12.623092
9.651602
8.503366
10.162740
12.430147
10.915252
8.673529
10.871285
9.454276
10.294558
9.278557
10.206380
9.973695
12.167640
10.181334
9.831628
10.050311
8.522454
9.042697
10.512280
11.184790
8.545797
10.071070
11.574600
9.215796
9.615307
9.254322
9.669083
9.679415
12.116013
8.345672
11.043725
10.067993
11.187831
11.645988
12.262063
9.298414
11.901841
12.689772
11.657220
10.118141
11.055887
11.961674
8.937537
9.619694
8.732570
11.916845
11.444940
9.140654
8.894081
9.717968
11.522347
9.007064
10.500831
11.295246
9.150030
12.727764
9.499958
9.935080
11.510459
11.840685
11.944027
12.794919
10.187851
9.845059
8.690986
10.181120
8.997133
12.413921
11.367437
10.956338
9.142992
9.941313
11.835634
8.765017
10.102423
9.148473
9.061472
12.484011
11.139414
12.303195
10.449299
11.724795
11.529380
9.698538
10.035011
10.390740
8.368461
11.016410
9.619055
9.069658
11.747579
11.445929
10.137305
11.034083
8.475519
12.346397
10.552023
11.299960
10.978982
11.056354
9.869177
8.073387
8.617634
7.013653
9.995282
7.685849
9.836252
9.355917
8.210532
5.950087
6.392605
5.014634
6.841350
5.938856
8.421110
5.646123
7.468932
8.629978
8.244713
8.639500
5.209342
8.789407
5.034043
7.837474
5.483520
7.781442
6.745521
6.756874
5.899182
4.991928
8.515229
7.789621
6.375759
7.650090
8.482879
5.238762
5.385617
7.423521
5.920301
5.566897
6.188498
6.162130
8.539644
8.228721
6.931928
7.165456
5.855846
6.465728
6.495148
6.347316
7.479431
5.437254
7.949293
7.675726
7.213065
5.060900
7.509705
5.259636
7.829539
4.940291
6.856243
8.460662
7.402036
6.753212
8.695288
8.400723
6.066301
7.475280
5.438108
6.246483
6.086200
6.815836
8.873882
5.639897
8.099322
6.237938
6.706336
5.652104
8.417203
6.941328
5.836070
8.637791
8.255333
8.179647
8.257653
7.360042
7.768136
5.288934
7.449767
5.766854
7.763131
8.803568
7.133351
5.788461
7.969436
8.030717
6.270165
6.534333
8.737648
8.462493
8.179769
8.263634
5.041856
6.398709
5.648442
7.503357
7.664373
6.154927
7.905835
7.691107
8.431974
7.232353
5.342036
7.715033
8.384121
6.822428
5.844127
8.728126
5.745247
5.024277
6.623203
5.610355
6.576571
6.146138
7.409238
7.455138
6.982101
7.468566
8.888653
5.452391
5.745491
8.843974
6.257591
8.547945
8.270837
6.506134
5.769173
5.247673
8.702734
8.467009
6.146504
7.949171
7.102344
6.872600
8.738868
6.167989
8.552217
8.697119
6.293970
5.040513
5.065294
8.145100
6.224143
7.473083
7.175344
6.143086
6.237571
8.315027
6.079608
8.288659
6.213767
6.931440
5.214225
6.638096
6.194357
6.547639
6.131001
8.703467
6.367702
6.742958
7.556948
7.036180
6.919721
5.468261
7.917615
5.251396
8.611972
6.800027
5.357723
6.224082
6.815043
6.194784
7.612796
8.703162
7.630253
7.634770
8.337916
7.888440
8.067522
5.378231
8.074358
7.413205
6.433439
5.529359
8.678259
6.376797
6.147053
6.221885
8.741859
6.525117
7.735603
5.390683
5.882275
7.956313
5.884716
7.504151
5.772530
7.722663
6.418424
6.630955
7.789071
5.707831
8.083758
5.220023
7.151967
8.151753
8.015275
5.964553
7.432371
5.198294
7.753792
8.127827
7.302118
8.842936
6.695654
5.704779
7.400143
7.652226
7.845592
6.795389
5.191580
8.632847
6.750099
7.561525
7.694098
6.623630
8.485260
8.147969
5.945021
7.586184
7.573733
7.936903
9.088549
6.168294
7.708014
7.514405
5.951735
7.917249
8.151265
6.722999
7.990493
8.515046
5.693915
6.174398
5.475646
8.412503
7.040757
5.598819
6.798318
7.237907
8.501007
6.404996
8.765053
8.351955
5.858837
7.826426
7.761849
5.928175
7.299921
8.027848
7.660649
8.930952
8.264550
7.548585
6.341029
6.366176
9.108936
6.455779
8.706458
8.182394
6.443449
8.584994
8.065813
6.192831
7.027573
8.240013
7.758431
5.398373
7.092639
8.729774
8.895306
6.081866
5.971267
8.116352
8.093524
7.052355
8.904828
5.547792
7.077013
6.411832
7.906140
7.553224
6.019852
6.220664
7.552370
7.672246
6.506684
5.437193
8.582308
6.797220
7.985488
7.504517
8.172384
7.600223
7.587283
6.961409
5.769234
6.420988
7.188101
5.451842
5.350398
7.991348
5.588321
5.507630
6.990219
6.369716
7.684088
8.479522
6.605441
5.463073
8.505646
8.991501
8.755898
6.508026
7.998306
8.294580
7.373653
7.888806
6.420377
6.892315
8.481582
7.064913
5.741508
5.441939
8.606830
8.173711
9.057283
8.437880
8.926420
8.847926
7.436628
5.900327
6.898526
7.461776
7.414533
7.229102
8.166997
7.001679
8.802271
5.932920
9.037507
7.207739
9.424726
8.299936
8.695090
6.614460
8.788476
9.402875
9.040437
6.865322
7.553209
7.815058
6.017151
5.674245
5.684256
8.413221
6.306467
6.812098
8.159185
8.640156
9.264565
5.490646
9.103183
5.603687
7.976318
5.520554
7.230689
7.388043
9.302408
6.617267
7.465926
5.947691
6.791711
6.230537
5.617969
6.966399
6.338816
6.272774
6.986297
6.048524
6.455031
9.120518
7.769158
6.623981
9.035066
9.263710
6.154607
8.937162
6.488235
8.979888
7.963256
5.497848
9.114048
8.405408
5.722587
8.368419
6.592730
6.380932
8.045534
7.660268
7.470199
6.444777
6.187689
6.618244
6.508255
8.350475
6.661458
8.664937
7.778558
7.481674
8.777245
5.780450
9.372723
6.541704
7.991211
7.594592
5.604541
5.890683
7.932493
8.563616
8.581072
8.906278
5.983947
8.608173
9.012970
8.743309
7.294168
8.587786
6.145085
8.865993
8.092532
7.986206
6.677450
7.729484
7.185522
6.181707
6.553056
7.984497
6.507035
6.679525
7.489975
8.580096
7.597766
5.679495
6.127995
8.139897
8.890286
8.354991
7.670034
5.987854
6.673421
6.217231
5.888241
9.195959
8.611225
6.942228
9.374432
8.030519
6.691610
6.030457
7.906125
8.173711
6.479934
7.681509
6.805994
6.091250
7.552110
8.250618
7.167455
7.924558
7.981933
5.669729
7.823481
6.281564
7.759392
8.201910
6.931364
7.300760
8.012085
5.907651
7.050874
6.362987
8.907498
6.198065
5.588794
8.828150
6.038026
5.720267
7.215674
5.391766
6.574541
7.429304
6.743004
4.987945
7.164159
7.076876
6.806726
5.363689
6.019349
6.889248
6.339915
5.221107
6.556352
7.227027
8.000366
8.730125
7.419050
5.336467
7.329203
8.182745
6.992889
5.750175
7.591662
5.732475
8.288095
6.709189
5.169836
5.595630
8.063845
4.985504
8.387219
6.086978
8.069948
7.477767
6.636677
6.868007
8.280770
7.953368
8.688986
8.780297
7.996582
5.317301
7.054903
5.639576
6.686117
5.776666
7.278787
5.366985
6.447951
5.279824
7.034394
7.829463
7.962279
6.603839
7.903073
8.767113
5.811335
7.465316
8.704123
5.181677
7.041353
6.029481
7.256813
7.561144
6.841029
8.193731
7.446150
6.313425
5.214026
7.017426
6.468093
5.788873
6.516923
6.677572
7.130711
5.261147
5.739677
5.321451
6.082827
8.245491
7.404523
5.193030
6.850063
7.527573
8.955107
8.408216
8.548479
7.278054
6.514115
6.752525
7.153172
5.628468
6.883755
7.878414
8.198370
7.082858
7.660512
6.275582
7.779656
8.140019
5.345988
5.388958
8.737327
5.502121
5.321696
7.261696
8.894436
6.244819
5.567797
8.074953
8.224250
5.321329
7.998779
7.961913
7.822260
5.779839
5.290323
5.470870
7.558092
7.065401
5.074984
5.050325
7.281961
8.782617
7.379009
7.933714
6.461135
7.295633
5.175817
6.796472
7.120579
8.537736
7.933348
6.563433
6.963836
6.407300
6.027161
7.736930
7.548204
6.124821
7.896115
6.625935
8.389416
5.925718
7.815668
8.847194
7.871700
8.464614
8.162725
6.474441
5.837336
7.303812
6.047792
7.213355
8.730003
7.865719
8.190435
5.971496
8.168950
8.218146
7.909421
7.204810
# Label of molecule (14)
0.862564
# Number of Instances of molecule (15)
3
10.401034
8.984695
9.504777
10.514346
12.592227
8.990045
11.443219
9.292551
10.354420
8.714375
8.491912
9.863777
9.432160
9.960193
12.421228
10.476983
11.668556
11.084303
11.499875
11.615229
11.922600
8.842911
10.966554
9.494777
9.689345
12.352999
10.519253
10.071745
11.058719
11.870350
12.384404
11.921034
12.054191
11.177463
11.455379
10.653320
9.817186
9.684924
9.229814
11.952282
10.206795
10.219200
12.663528
8.673286
9.118717
12.630168
11.456241
10.151741
11.695594
11.657446
12.316059
8.380292
9.544485
11.626474
9.274321
10.702236
8.437230
12.305219
9.642294
8.403059
10.167514
12.270579
10.875701
8.900462
10.881531
9.342684
10.529682
9.228327
10.208576
10.113623
12.262806
10.262838
9.857289
9.928958
8.445063
8.983032
10.594941
11.334328
8.566936
10.084699
11.608999
9.217436
9.749955
9.397440
9.554262
9.624802
12.114241
8.386917
11.252478
10.055046
11.142382
11.329584
12.307771
9.284596
12.051363
12.460507
11.569593
10.270414
11.152321
11.919623
8.943957
9.573191
8.811996
11.941999
11.664847
9.115795
8.906032
9.423406
11.711921
9.146392
10.641798
11.089728
9.113723
12.663809
9.094683
10.129981
11.228048
11.962427
12.301502
12.414502
9.692639
9.858917
8.686812
10.195898
9.418922
12.337392
10.903548
10.865796
9.254012
10.030817
11.482951
8.699683
10.438855
8.799337
9.291353
12.056307
10.865799
12.572450
10.029708
11.551403
11.742507
9.909360
10.411315
10.415907
8.385752
10.777899
9.780881
9.009757
11.429668
11.092604
10.435901
11.056672
8.432840
12.259778
10.403640
11.492961
8.278993
9.193745
8.739593
8.865464
7.003920
6.577741
10.269500
5.746699
6.662474
7.180518
5.887631
8.552141
7.418928
7.379131
8.431776
6.591021
8.041139
5.784478
8.711203
5.097934
5.225867
5.769707
8.439467
7.171606
6.517045
5.056429
6.540483
7.937376
6.924039
7.380230
7.619251
7.051485
8.045534
6.099796
5.579638
8.383801
7.777215
5.672903
6.767541
7.755364
7.981445
8.874905
7.010468
7.606067
5.492477
7.633534
6.932096
7.467025
5.833186
5.357097
7.914670
5.111972
5.016877
8.629536
5.084017
5.264565
6.810389
8.146489
7.695547
6.733726
8.833888
6.770470
7.289773
8.854884
8.869778
6.576739
8.000366
8.110843
8.760155
8.767113
7.382550
5.806940
7.262429
6.325144
6.141789
5.675832
7.243141
7.290139
7.134861
6.287301
8.581072
8.521378
6.019959
7.137913
8.157476
5.830622
5.929868
5.294107
6.306345
8.357189
6.544145
5.467330
5.101596
7.058687
7.933714
8.391369
5.854183
5.195593
7.554796
8.380505
7.195654
8.682638
6.766564
8.943022
7.122410
8.180914
5.245521
7.323099
6.376659
6.809168
7.675649
8.848170
8.537492
5.346599
5.084750
5.955626
6.197333
6.802210
7.206275
6.774743
8.601459
8.226691
8.237800
8.137455
8.121342
5.642140
6.373974
5.894101
8.939482
7.963378
7.488266
5.410321
7.321024
5.785943
5.336467
5.115513
6.845546
6.917447
8.660665
7.984375
5.974303
8.525529
7.565294
5.820246
5.330241
5.777154
5.541795
7.220801
8.061403
6.847621
5.517747
6.096133
8.667501
6.168035
8.302744
5.617725
7.661122
5.793634
7.809198
6.471999
7.440657
8.761742
5.420698
6.293283
6.748619
6.318186
7.884274
7.151830
5.090854
6.885708
7.100925
5.971007
6.492141
8.648946
6.189276
8.749657
6.628025
7.893200
8.479034
7.575320
6.273278
8.952559
9.280450
8.899091
9.070116
8.087054
7.294183
9.090014
6.241905
8.537629
6.478118
5.777047
5.776803
5.426695
8.895428
6.825175
8.006607
9.183645
8.322413
8.740638
6.084674
6.899396
6.190756
5.694037
7.738289
6.486541
9.241874
9.036424
8.667150
6.518769
6.265831
7.179800
5.968337
8.624302
7.303095
5.723457
5.956862
7.310175
6.680151
5.694525
6.761330
6.090411
9.257866
7.782235
6.067705
6.794168
9.264458
8.438993
6.386319
8.928755
9.090014
7.723640
8.216941
5.971633
7.416990
6.761940
7.488525
7.468017
8.061785
6.699072
7.646245
5.807443
6.901227
7.019395
6.761940
8.555818
8.261620
7.109119
6.044145
7.215690
8.141987
8.934370
8.120380
7.293207
7.650029
8.713538
7.468139
6.543062
6.022416
7.455321
9.369930
6.269005
8.607334
8.240013
7.765877
6.553926
7.181509
6.116779
6.380581
6.294275
7.979995
6.494354
5.497742
6.914655
8.810099
5.897900
6.758522
8.636753
8.627598
6.968856
6.358242
6.177694
6.948225
5.581729
9.017014
8.754555
8.470000
5.952589
9.097949
7.266106
6.281945
5.615421
7.249382
5.531556
7.033677
6.140339
8.945601
6.457854
7.440428
7.468749
9.300226
6.011429
5.499329
5.741646
6.529511
5.870556
7.792123
8.493805
8.437651
5.631535
8.247948
7.091052
6.300501
5.445128
7.742439
8.284448
8.524689
7.957778
5.908155
8.756752
8.452422
6.431120
6.530244
6.535615
6.691748
7.918714
7.903333
9.150197
6.344569
6.369961
7.524659
8.402860
5.507996
6.540254
8.497833
5.635319
5.424131
5.580264
9.022263
9.361019
6.653661
9.180105
# Label of molecule (15)
0.849787
# Number of Instances of molecule (16)
3
10.375458
8.938657
9.594845
10.708481
12.440525
9.136140
11.439965
9.389216
10.351732
8.708625
8.593625
10.015114
9.460559
9.966040
12.454610
10.486713
11.756090
11.037880
11.548403
11.583716
11.767971
8.856512
11.018594
9.645781
9.744107
12.324702
10.418188
9.921014
11.053439
11.872803
12.423560
12.159153
11.994708
11.111316
11.557299
10.963364
10.077468
9.748456
9.124106
11.999456
10.008996
10.258385
12.469387
8.844388
9.194110
12.424013
11.384731
10.001934
11.693778
11.593194
12.350315
8.279497
9.749410
11.593247
9.308971
10.846753
8.308908
12.607749
9.795443
8.603665
10.236289
12.255578
10.639345
8.900060
10.655967
9.231915
10.439759
9.313647
10.305137
10.109235
11.937447
10.126420
9.751970
9.831542
8.521108
9.003936
10.584511
11.341638
8.616181
9.863206
11.595867
9.232997
9.662381
9.209520
9.416271
9.561403
12.173401
8.383397
11.282623
10.067526
11.242499
11.538134
12.272381
9.352293
12.102739
12.683932
11.701268
10.119017
11.318024
11.830268
9.010667
9.452365
8.772632
11.995152
11.717678
9.026942
8.836614
9.607783
11.790656
9.122600
10.809029
11.266831
9.040798
12.483293
9.210710
10.287573
11.712836
12.083104
12.173558
12.321890
10.047251
10.001267
8.640087
10.258959
9.110202
12.780165
11.388627
11.127958
9.273460
10.059228
11.821997
8.595483
10.315316
8.886327
9.559479
12.663383
10.883190
12.276160
10.462670
11.795952
11.701514
9.654189
10.453523
10.819961
8.640388
11.013429
10.008753
8.710029
11.553722
11.618841
10.092079
9.513563
8.246284
12.059380
8.582153
9.682304
9.115265
10.077637
11.743301
7.566846
7.162339
7.185974
8.102626
7.052329
6.869867
7.783624
8.627659
7.802561
8.254967
8.248497
4.904767
7.072558
6.871258
7.055712
6.188131
7.633244
5.717292
7.139698
8.059648
7.443785
5.184072
6.867962
8.098102
6.130024
4.998154
5.809580
5.648198
8.060015
6.720740
7.431333
5.019150
7.255181
8.364956
6.568636
6.988327
5.513062
7.004318
8.043413
7.483947
5.116443
7.248955
8.806986
8.323206
7.501648
7.463927
5.979629
6.879681
7.264824
5.604373
7.165944
5.555544
4.877789
8.543794
5.415525
7.933302
7.490661
6.767861
7.210501
6.482330
5.194571
6.312525
7.848460
8.695288
8.121418
7.817576
6.600864
6.528840
7.752876
8.572970
8.019120
8.024369
7.817576
5.432615
5.764046
7.983108
8.147298
6.470611
7.334040
8.571505
6.870281
5.253166
8.066240
6.730262
8.314417
5.604373
8.786966
7.264580
5.997696
6.738441
5.484375
6.487335
8.078692
8.634495
5.380978
5.293085
6.642613
7.527528
5.778207
8.536836
6.199606
5.392819
6.050554
5.591556
8.768166
7.297418
5.161977
4.961653
6.918744
6.492218
7.082690
5.824961
6.155538
7.123585
6.476592
7.379818
8.006546
8.435392
5.039659
6.872356
7.201102
8.338832
6.860759
7.177786
6.308618
6.224509
7.180471
8.811625
5.212271
6.892132
6.924116
7.245659
8.794046
5.470946
7.382748
6.403592
6.205344
7.209159
5.417844
5.211295
5.100208
6.004166
7.564516
8.076983
6.201804
7.550722
7.407529
8.175130
5.581912
4.981063
8.606418
6.411771
6.025407
8.872417
5.944105
6.943403
8.856426
7.495911
6.773232
8.124836
7.599185
7.184133
5.236564
5.763680
6.851238
8.689184
7.635929
7.553163
7.741768
5.409177
5.323481
7.559145
7.350887
7.997330
5.823679
9.102954
8.603427
7.020493
6.402310
7.419431
8.653356
8.771889
7.129261
7.876598
6.072344
5.407285
8.427152
9.095264
8.419095
7.340449
7.305292
7.909314
8.647618
8.433134
7.420530
7.162709
9.163747
5.366268
6.723121
8.372585
8.404569
8.065569
6.063433
9.134938
8.316797
8.055559
8.135151
7.148183
7.107898
5.619694
6.128254
6.727515
7.645878
6.640477
7.470214
5.687933
5.883007
5.992019
8.025407
6.468352
5.677313
8.365261
6.131916
5.372982
8.388089
7.394894
7.850108
7.806406
7.619022
5.969069
8.794717
7.372921
5.485656
6.590915
7.930067
8.721473
8.781411
6.671606
6.700537
8.004898
5.415220
7.627445
8.871502
6.833476
7.500244
8.656652
6.456633
5.593936
5.464049
6.070879
7.106311
8.012101
7.557985
9.056810
8.331446
6.831523
9.139943
8.741249
5.938917
6.485443
6.105548
7.437498
6.052080
8.635289
8.842814
8.945723
8.093402
8.450591
7.084582
8.782144
8.101215
7.508057
6.036210
9.214408
5.759713
7.181387
8.149068
5.975539
8.513337
8.398099
8.920087
7.533570
8.141621
5.639225
9.087329
5.789132
7.172231
9.057054
7.601444
7.080309
6.502411
6.582003
5.743477
6.364467
7.607913
7.900769
6.767434
5.457091
8.712561
6.172933
5.440245
6.198569
8.293115
7.367794
7.856578
7.426511
7.296136
7.090686
7.900037
8.627720
7.440062
8.779092
8.730384
9.144459
8.978195
7.138295
7.666631
5.811350
5.297906
6.696997
8.845866
5.895581
5.731025
7.352779
6.028031
6.217856
7.949355
6.785623
7.927015
7.327509
7.321772
7.614261
8.437529
5.607608
8.607212
7.168813
6.136921
8.184713
7.358394
# Label of molecule (16)
0.851205
# Number of Instances of molecule (17)
3
10.578621
9.016663
9.718002
10.659736
12.463859
8.936102
11.358655
9.243527
10.469117
8.722297
8.678609
10.093850
9.472072
9.817118
12.443833
10.759229
11.650353
10.972097
11.790359
11.740646
11.740922
8.976528
11.022179
9.534472
9.737617
12.194063
10.438287
10.088645
10.926535
11.796664
12.483276
11.981706
12.179912
11.295002
11.426392
10.732449
10.033324
9.736105
9.256922
11.907588
9.956643
10.217117
12.691770
8.801013
9.285782
12.468884
11.571626
9.919179
11.809908
11.589333
12.357205
8.294293
9.779919
11.527886
9.364927
10.824314
8.534573
12.548073
9.671604
8.633336
10.179218
12.260826
10.672293
8.715111
10.693795
9.426362
10.318189
9.260554
10.338811
10.065499
12.089622
10.284205
9.886077
9.971586
8.544997
8.817032
10.495349
11.223017
8.805692
9.868792
11.663691
9.456467
9.767785
9.332668
9.424677
9.708533
12.200617
8.506063
11.038751
10.084152
11.335124
11.577052
12.308041
9.193364
11.949591
12.643429
11.620106
10.301498
11.303946
11.839193
9.076579
9.480274
8.813864
11.958504
11.522297
9.253867
8.791594
9.621230
11.789612
9.305271
10.777075
11.073970
9.096579
12.333381
9.278913
10.120539
11.652345
11.732220
12.398317
12.809407
10.153624
10.120388
8.904737
10.448939
9.054335
12.493296
10.912959
11.027160
9.390392
10.184374
11.522737
8.795393
10.322936
8.685643
9.225685
12.534873
11.106418
12.764434
10.082257
11.880654
11.216025
9.204527
10.271984
10.260667
7.886223
9.487164
8.097727
8.328736
9.513633
10.850287
8.435884
9.515191
7.803001
12.131544
8.116679
10.639461
9.249843
9.539768
9.640664
7.016438
8.968836
7.962821
7.061520
7.542845
9.036823
9.025517
8.526505
8.953642
6.306589
6.312449
9.187536
8.970855
8.491348
5.439009
9.237587
7.062716
7.618885
8.858058
8.135868
7.444197
8.318857
8.802149
9.051912
5.955382
7.536485
8.224860
7.394513
6.952361
5.807428
7.013520
8.426160
6.563799
8.556169
8.758934
9.338786
6.190985
7.792352
6.953825
7.165746
6.124332
8.581805
7.496689
7.904050
7.152196
6.664632
6.374340
6.222724
6.037172
5.597461
7.400128
7.132542
8.733909
7.793939
6.881191
6.991424
7.225074
7.838496
6.090762
9.220618
7.848872
6.449171
6.419874
8.106449
8.993561
5.463179
8.084231
8.064577
8.034669
6.221381
7.259743
7.738395
7.389386
7.725822
8.524430
8.309214
7.562609
6.945402
7.478133
7.391949
9.060701
5.646779
8.418348
5.892880
7.047212
6.121281
7.944945
9.201819
8.615986
8.186529
9.369915
6.095889
8.555925
5.836482
6.806726
6.730064
5.483444
7.915281
7.814570
7.086642
6.217719
9.188025
5.471603
9.262978
8.271004
8.186773
8.754051
8.968291
8.333628
6.203803
6.093204
7.607532
6.624348
7.808954
6.989715
8.325938
6.984588
9.264931
8.554827
9.388958
6.587848
7.216285
7.858150
6.273751
7.142552
6.027039
6.954436
7.846919
5.462569
8.141606
7.464949
6.001526
7.278420
5.843318
5.588672
8.132817
6.166814
6.788049
8.418714
7.821650
7.472152
7.684805
6.437330
7.106662
7.094699
8.500626
7.066378
5.715629
9.021882
5.563402
8.147465
6.633747
7.475692
7.938597
8.226569
9.381878
5.553392
7.453597
8.518204
8.381603
8.234382
6.746788
7.424665
7.781121
5.629688
7.713736
6.484817
6.116642
8.349254
8.727927
8.627216
6.185003
6.860073
6.821451
8.032304
7.833689
4.795022
8.041337
4.828837
5.050645
8.353969
8.712256
6.809244
5.058702
5.340449
5.742683
4.927229
8.243248
7.347957
5.953627
6.297143
8.029862
8.278283
6.091571
6.879437
8.020341
5.228629
5.677740
7.285455
6.899091
6.682165
8.068316
7.573916
5.489990
6.878460
7.099902
6.914106
8.335780
7.238823
6.697424
7.992386
6.175924
7.721625
6.815958
8.034013
7.698431
4.981552
7.095019
8.319422
6.939253
8.209677
5.598636
8.065508
6.706091
5.526002
8.015336
6.551302
8.399991
7.805124
8.695288
7.358455
8.610691
6.803140
6.897626
8.606052
4.859722
6.466338
7.623966
5.051012
6.868572
8.294275
6.412992
5.932142
7.722968
5.631474
7.470641
6.429594
7.312799
7.765572
6.511383
8.618503
6.418973
8.703223
7.685980
5.787729
7.824534
5.502197
5.968764
6.003067
6.823893
5.032579
8.382534
4.785501
7.505432
8.042802
5.432981
6.783120
7.182669
5.404416
6.130757
6.309351
5.348872
7.413633
7.972121
6.624058
7.530457
5.020249
7.257378
7.831248
8.412687
7.863109
5.119739
7.268975
8.615085
5.983901
6.640416
6.267479
5.489746
8.096515
8.423429
7.147755
8.318445
7.285455
8.007767
6.339015
6.281762
7.009690
6.490020
7.486999
7.578799
6.285424
5.732795
8.430265
6.068987
4.923933
7.533998
5.918714
5.812265
7.699286
8.132160
7.948561
7.883740
8.320276
7.423154
5.590213
5.835093
8.082110
6.261864
6.183493
6.181417
6.073504
7.226127
7.773629
8.284997
7.812449
8.214927
8.666478
8.012772
5.187246
8.259117
7.974319
7.543397
6.577059
6.917402
7.029832
7.695746
6.027482
8.632908
7.541566
# Label of molecule (17)
0.821650
# Number of Instances of molecule (18)
3
10.386316
9.004268
9.733969
10.720732
12.604512
9.145435
11.416323
9.174200
10.324452
8.655019
8.732116
10.053425
9.558297
9.737736
12.588520
10.587469
11.664853
10.984988
11.786313
11.557852
11.996901
8.902153
11.017310
9.575250
9.712989
12.425247
10.694459
10.060320
10.896439
11.731837
12.199024
11.990794
11.915015
11.173184
11.583530
10.874829
10.028856
9.837960
9.239061
11.997081
9.953706
10.160390
12.491607
8.846689
9.238609
12.622764
11.475304
9.968946
11.616665
11.612072
12.582741
8.313439
9.506811
11.478891
9.399247
10.839566
8.522185
12.514313
9.546206
8.527844
10.095656
12.415877
10.613648
8.859797
10.835683
9.339379
10.380918
9.188081
10.417952
10.069644
12.103355
10.053199
9.924329
10.077612
8.550723
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11.162412
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11.648083
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9.288558
9.554398
9.539855
12.252602
8.495037
11.182780
10.038822
11.124196
11.448930
12.473534
9.250858
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10.029223
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11.902935
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9.677579
11.438180
8.979709
10.755675
11.164391
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12.497981
9.367199
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11.224727
11.752178
11.948478
12.754862
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10.259438
9.000507
10.454789
9.144921
12.302226
11.015196
11.055750
9.320332
10.309710
11.488176
8.344327
10.463509
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9.516509
12.205059
10.648427
12.312835
10.306665
11.960160
11.778295
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10.503933
7.699947
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6.880337
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6.269356
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5.241615
8.854274
6.111881
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5.091464
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7.206397
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6.441725
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7.628895
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6.474197
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5.475753
6.063173
6.107242
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8.895779
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6.490310
8.779077
5.915220
8.504532
8.250008
7.456893
7.519639
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9.294473
8.197150
7.718009
6.806726
9.156285
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7.727165
5.845515
7.003754
6.066103
5.635914
7.305643
8.041139
8.720237
6.144963
7.806391
5.931455
8.720237
8.767113
7.466292
7.618763
7.123997
7.864132
9.144688
8.923002
5.808893
7.894284
7.675283
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5.779962
7.246193
6.967620
8.028687
7.532701
6.032533
8.850124
6.535600
8.345347
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7.530259
6.675130
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5.547899
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8.083377
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7.337382
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6.342845
6.576128
9.336100
8.637593
5.788873
8.290292
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6.692099
7.626453
7.100314
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5.987243
7.686636
7.519639
7.326518
6.986419
8.115482
6.492264
# Label of molecule (18)
0.823168
# Number of Instances of molecule (19)
5
10.510877
9.159645
9.468017
10.686851
12.558202
9.099429
11.343677
9.387302
10.579122
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5.767327
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7.873592
5.762688
7.126133
6.907743
6.283822
6.668966
6.002564
6.271004
8.394360
8.999481
6.075564
6.568133
5.167943
6.912259
8.043886
7.656301
5.888424
5.317484
7.857967
7.792535
8.262398
6.357799
# Label of molecule (19)
0.870948
# Number of Instances of molecule (20)
4
10.392773
8.946524
9.722954
10.472950
12.491063
8.948176
11.235959
9.362099
10.300205
8.799849
8.626736
9.940427
9.494675
9.861217
12.455868
10.723776
11.488515
11.206273
11.479098
11.771265
11.924375
9.032531
11.099025
9.666894
9.833167
12.429551
10.458831
9.979149
11.040936
11.553315
12.482240
11.926880
12.092817
11.196589
11.684015
10.735529
9.823534
9.811729
9.211909
11.945271
10.035739
10.431850
12.806631
8.628197
9.240006
12.499451
11.221418
9.799892
11.611083
11.396569
12.492952
8.230745
9.389854
11.513959
9.111675
10.486488
8.517013
12.668385
9.616570
8.724083
10.399274
12.252323
10.740979
8.530687
10.544223
9.447919
10.213146
9.346339
10.584127
10.277673
12.217620
10.202026
9.519411
9.855391
8.471679
9.026813
10.338467
11.326797
8.664825
9.745158
11.904687
9.372738
9.673392
9.314564
9.441283
9.468626
12.256620
8.184808
11.356587
9.909145
11.272118
11.526799
12.212044
9.332102
11.652912
12.204996
11.519582
9.946191
11.091463
12.080664
8.813012
9.137441
8.702406
11.753696
11.523290
9.225313
8.946017
9.539410
12.015751
9.122992
10.747768
11.473822
8.832645
12.605355
9.387409
9.843717
11.808135
12.121009
12.334836
12.209653
10.224203
10.327351
8.548697
10.181937
9.484198
12.768428
11.242465
10.787074
9.445866
10.006240
11.589005
8.342382
10.254244
8.851517
9.183981
12.673352
10.843722
12.826325
10.100404
9.021890
10.451887
9.637055
7.840777
9.702877
6.854116
10.560463
8.232781
7.167156
10.684000
8.797244
8.911237
10.630500
6.738238
11.558472
9.376152
11.187230
10.030474
11.253597
11.714737
6.932116
7.013292
8.656714
8.293196
7.676001
9.079368
9.232917
8.658712
6.377148
8.508683
4.953154
6.926115
8.435560
7.216163
5.889828
6.484939
7.375591
5.293130
7.027802
6.390088
8.416395
7.029267
5.502609
5.175451
7.223487
7.402326
6.380932
4.958403
5.602832
5.851741
6.162175
6.349925
4.903958
6.543657
7.928343
5.043489
6.510208
7.002777
8.517350
6.959563
6.788781
6.987152
8.094852
4.818751
7.877804
7.480331
6.499588
5.021149
7.683950
7.674184
4.736595
7.703482
6.465651
5.821100
7.995117
4.852321
5.377972
7.826655
8.563005
7.346782
6.352245
5.459883
5.016388
5.805109
8.688131
8.056764
8.057741
8.112186
7.730338
5.588794
5.374798
6.500443
7.007172
6.976165
7.901852
5.061800
5.204505
7.516343
5.851131
8.563005
5.350627
5.305460
4.894681
7.441267
7.587756
8.527360
6.868740
7.854854
4.903348
5.483444
5.376385
5.663015
7.198584
7.241920
8.664937
5.210608
5.066439
6.776696
8.149541
5.792169
6.657430
8.475356
4.962554
8.671285
7.004364
7.888546
4.900418
7.529283
7.184301
7.596789
6.142766
7.218726
6.691366
5.068880
6.122135
5.696097
6.394848
6.388867
7.915647
8.010132
5.458907
5.723441
8.535539
7.218970
5.597705
8.407727
5.493088
5.112339
6.042055
5.522874
8.011353
7.613880
6.591388
5.841121
5.260292
7.736564
6.126774
5.012482
5.992126
6.970183
5.960631
5.869076
5.947813
7.971801
5.396405
5.721366
5.413984
5.435835
6.874233
8.522355
5.302774
8.020386
6.078677
5.772149
8.129032
6.200873
8.380993
8.042238
8.261971
6.931364
6.992889
6.989715
5.825861
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8.206915
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6.835902
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7.052217
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7.239219
6.602847
6.848582
9.211447
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7.438200
9.328639
8.378536
8.462279
7.813456
6.815134
5.671422
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6.454283
6.858592
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6.851512
6.060472
7.662206
8.973769
8.786630
7.244224
8.803964
6.754830
8.324335
8.382321
8.152089
8.348872
7.496918
9.230979
6.280938
5.557161
8.272210
6.006516
9.140400
9.247337
7.087359
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8.945326
8.626347
9.064592
6.764962
7.434172
8.540651
6.778512
7.045976
9.367580
7.172079
6.456847
5.837931
8.145009
6.508118
6.481994
5.934858
7.414518
5.960860
7.075518
7.552583
8.547975
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8.034776
5.998703
7.859355
6.736885
9.401517
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5.440825
6.152272
7.933332
6.808664
5.489776
9.144551
8.255486
7.224082
6.003952
6.972732
5.568148
7.636570
5.718421
9.149678
6.781808
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6.159474
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6.958449
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8.691534
6.961867
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8.430296
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8.717536
8.898816
8.456420
5.452910
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9.129902
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6.282281
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6.364559
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5.700354
6.710883
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6.694159
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6.766671
6.627873
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9.296533
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6.560121
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6.084643
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7.865581
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9.344630
6.748482
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4.914823
6.866176
5.143223
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5.447310
6.020569
6.486770
5.441572
8.668477
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6.397290
4.901273
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5.479049
6.921842
8.001099
5.618336
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6.585162
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7.657704
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8.612690
5.611988
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7.454085
7.831904
8.196295
6.378002
6.648640
5.129307
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7.102268
6.151433
8.336680
7.988159
7.563341
7.568957
8.420911
4.916898
8.679342
5.396893
5.856258
7.302225
8.229011
8.599872
8.048708
7.365703
5.257729
7.089206
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6.109439
7.100681
7.474593
5.921201
4.969756
6.897183
8.464125
6.165716
8.557634
5.473922
8.287240
6.529008
5.858211
5.468917
6.517045
6.619587
7.268899
7.573351
8.664937
6.677938
8.845363
8.765770
7.924436
6.885098
5.136265
8.412488
8.438734
8.724754
5.977233
6.111270
8.465712
5.275674
6.621052
5.152135
7.817011
5.310099
6.579058
5.469283
5.945250
6.069033
6.548662
7.961303
7.055635
7.594592
6.801355
6.052919
6.614338
7.491195
8.406751
6.374950
7.631458
4.991363
8.667501
6.434523
5.092441
5.201575
8.140751
7.154637
6.912809
8.402234
8.620014
8.154302
5.790216
7.277322
7.452254
7.646962
6.332347
4.950102
7.567858
6.830287
5.830256
8.697043
8.594501
8.643696
5.058260
8.215705
6.433302
6.767541
7.469710
5.325480
6.670125
6.740440
7.167089
7.969604
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7.067598
8.021485
7.398541
7.427839
6.196844
6.314035
7.408185
7.452864
7.237403
7.276833
8.506729
6.558916
# Label of molecule (20)
0.755381
# Number of Instances of molecule (21)
4
10.391190
8.920034
9.493126
10.669308
12.463804
8.909627
11.188247
9.370358
10.294791
8.900178
8.504685
10.080946
9.482685
9.989056
12.635742
10.751373
11.647477
11.014454
11.689816
11.685086
11.827110
9.038678
11.135341
9.630131
9.842755
12.277060
10.490241
10.110934
10.892764
11.730329
12.454109
12.159462
12.228988
11.207923
11.464143
10.956408
10.075159
9.943889
9.260755
11.795201
9.955460
10.234802
12.519215
8.742414
9.210143
12.321713
11.355977
10.063209
11.550060
11.655402
12.413568
8.281011
9.705583
11.702557
9.314012
10.993243
8.415221
12.333192
9.518002
8.546393
10.235707
11.983555
10.917257
8.537301
10.413640
9.114940
10.386423
9.137117
10.135350
9.812879
12.345721
9.994514
9.486832
9.871368
8.172962
8.823954
10.714485
11.567491
8.779597
9.778095
11.783631
9.305485
9.812200
9.293982
9.533694
9.573913
12.149788
8.100951
11.324475
9.882018
11.244794
11.102071
12.533750
9.008931
12.135595
12.245836
11.777015
9.822758
11.116853
11.881823
9.032672
9.411721
8.550221
12.039797
11.413362
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8.923870
9.569417
11.460575
9.449079
10.805861
11.610576
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12.624467
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10.004865
11.711591
12.174605
11.915208
12.683206
10.076237
10.145049
8.850196
10.265322
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12.654171
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10.453019
11.622025
8.338593
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9.192985
12.508196
11.097742
12.616815
10.550157
11.994099
11.704661
9.658423
10.440085
10.441191
7.274396
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6.529901
11.671764
10.687406
8.330439
11.522666
7.951272
9.812696
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10.298679
7.196551
5.736369
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8.838038
6.121891
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8.105350
5.740043
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5.493332
6.929899
7.843623
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6.613483
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5.300821
8.865261
8.234504
7.688955
9.209021
7.060884
7.472152
7.258889
7.738762
5.410688
6.840297
6.051332
8.698996
6.569658
6.519120
7.441877
7.520127
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8.649312
6.131901
9.023225
6.966399
5.830866
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8.619160
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5.741386
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5.811823
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7.743278
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8.881130
7.456771
5.360515
6.018983
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6.497513
6.739708
9.005768
6.140202
5.273476
8.982208
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5.605518
5.350627
7.804193
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6.512650
8.629170
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8.898221
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6.586138
8.323862
5.963805
6.318308
7.756096
6.525468
7.387066
8.611957
8.389294
9.051668
8.216681
6.832728
6.779260
7.680166
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7.593493
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7.179052
8.624897
5.624683
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6.715781
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6.946867
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5.966247
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6.856410
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7.308695
7.885006
6.112735
6.357494
7.388165
7.032197
9.155309
8.007324
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8.011475
6.464797
6.720298
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6.154851
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6.044008
8.903348
8.089236
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6.202033
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8.877529
7.061556
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5.321268
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8.012757
4.949309
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5.972900
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6.163579
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8.250435
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6.173101
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8.503739
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6.506363
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8.420118
6.073977
7.412885
5.054292
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5.280251
7.734428
6.976226
8.269356
8.324412
6.332530
8.066469
7.471969
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7.949034
6.686911
8.251411
7.525559
5.695547
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6.542863
5.894406
7.320719
8.716269
8.756310
6.469619
5.375103
5.617664
8.905972
7.568285
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6.185064
6.230354
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5.790277
6.689108
7.834895
7.566576
8.723228
8.224189
5.847407
6.695334
6.808618
7.643849
8.270089
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8.450026
6.612934
6.546648
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6.668111
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7.647389
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8.711386
8.395459
8.324656
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6.002930
5.451643
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4.923917
5.441877
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8.392590
5.821100
8.433729
6.404859
5.681570
6.494827
8.701071
6.753258
4.948881
8.244270
7.452254
7.254372
8.494156
5.711234
4.992340
8.530045
5.158238
5.149815
8.353404
7.137181
7.341411
8.538957
7.838496
6.160955
7.917356
6.624592
6.902799
7.425398
5.423505
5.767510
8.744163
5.195593
7.897702
7.469588
4.980621
7.248512
7.739128
5.455489
5.789361
7.183447
5.967589
7.184301
8.879421
5.852596
6.256539
8.664937
6.677450
5.782159
5.113926
5.451827
5.099155
8.460341
6.586871
8.695578
5.280679
6.368358
7.864498
5.122349
5.646168
7.629017
8.154790
5.819269
7.687613
5.145787
7.208960
6.698080
6.828455
8.111332
5.870540
5.514695
7.750237
7.755730
7.021577
6.317576
5.553270
7.214087
5.302774
8.201300
8.130253
7.385235
7.982788
5.239540
5.123814
6.657674
7.349345
6.473586
6.846767
6.377636
7.000824
6.828333
6.536454
7.935179
6.409497
5.835994
5.322184
5.340983
6.133976
5.037019
5.276772
7.172216
6.055727
4.937040
5.929991
7.758415
7.012421
8.393078
5.617481
5.486129
8.206305
7.303690
7.041108
8.096194
6.759850
7.481185
8.414686
6.845424
7.795892
8.575335
7.570788
7.414411
7.415265
5.929258
8.404431
7.428816
# Label of molecule (21)
0.788714
# Number of Instances of molecule (22)
3
10.389684
9.024470
9.608713
10.756546
12.288595
9.021555
11.349025
9.234169
10.472813
8.773749
8.606508
9.989306
9.337356
9.945096
12.683402
10.483926
11.655969
10.942581
11.707168
11.568350
11.783029
8.946807
11.033292
9.712197
9.801240
12.412100
10.493818
9.974085
10.910625
11.882899
12.232445
12.203776
12.226322
11.303662
11.539626
10.721972
10.034292
9.854873
9.100312
12.042101
10.106188
10.261924
12.582879
8.770881
9.196695
12.579426
11.365667
9.900012
11.830653
11.367751
12.647888
8.226536
9.583648
11.635868
9.557116
10.697418
8.125117
12.156968
9.525022
8.686118
10.332172
12.069173
10.500257
8.986797
10.898457
9.398791
10.659043
9.395786
10.212877
9.765055
11.997906
10.237550
9.708612
10.133619
8.392457
8.720788
10.425539
11.180164
8.897533
9.788426
11.660441
9.100535
9.885322
9.288304
9.550307
9.595370
12.442632
8.531880
11.038143
9.658001
10.896995
11.103670
12.130925
9.139496
11.856583
12.804354
11.340923
10.354471
10.864908
11.711547
8.942841
7.441533
6.801782
11.526190
9.722594
9.010343
8.553613
8.441339
9.247396
7.983172
10.424033
11.475769
6.602769
10.197375
9.583037
9.509443
9.749084
10.654200
9.038513
9.366242
9.464942
9.016329
6.447698
9.397996
6.877632
11.698323
10.743106
10.159999
7.391435
9.321587
10.953829
7.910265
9.044305
8.894768
9.530120
12.226565
10.732771
11.233064
7.938827
11.105437
11.839822
7.180986
9.821987
9.303667
8.174692
8.391357
7.268834
8.608728
9.412002
9.631834
8.292009
11.586057
8.059160
10.057164
8.401797
9.440677
8.668474
9.833033
11.068043
9.239350
8.304928
6.371457
7.499437
7.586560
9.220060
6.547678
8.095904
6.259667
6.729774
6.392117
6.652867
5.879650
6.029435
6.943037
8.160482
8.374233
8.805399
5.188223
8.433073
8.342860
5.455687
5.301019
7.997147
4.871441
6.423978
7.836619
8.238731
7.908277
6.482452
5.011093
8.044145
6.288476
8.697363
5.066759
6.806681
5.783334
4.947493
5.097034
5.676885
7.546327
7.873363
5.708258
4.928205
7.333430
7.129810
6.892621
5.317133
5.871960
4.820048
6.486114
7.308039
6.752968
6.983200
8.588473
8.042436
8.221030
6.011246
7.318293
5.923597
5.238395
6.871746
5.279168
8.695288
8.198202
8.009476
8.112506
6.885174
6.659215
5.802988
6.509919
8.493011
8.480804
5.451048
7.063280
8.794168
6.730140
7.163259
7.323664
7.136402
8.739113
6.530793
8.448454
8.603244
7.683050
5.951552
8.807352
6.419828
7.059374
7.985672
7.926099
6.975875
6.438749
7.514100
8.139607
5.340449
6.865154
5.579348
7.331965
5.144887
8.279015
5.778451
6.137104
6.706946
5.339106
8.087359
6.975509
5.272576
6.018082
4.988388
8.301721
7.249809
7.345393
6.780068
7.437437
6.309839
8.675024
4.937849
7.366878
7.230155
4.850688
8.408536
4.866070
7.355159
7.645207
5.705451
7.345271
7.549013
5.847056
7.687445
7.774972
6.514801
8.372402
7.888745
5.075060
6.357204
8.773171
7.280938
7.338679
7.261406
7.520569
8.338832
5.266961
7.164480
6.436064
5.285760
5.190542
8.294031
7.645940
7.394467
5.051134
6.448637
7.433897
6.216330
6.719520
4.896588
5.368282
7.616764
8.024247
8.765236
7.076708
7.488952
7.866405
5.798471
5.043687
8.023392
7.795724
5.356685
7.808908
5.406003
7.421323
5.532960
5.935804
8.390301
5.259468
8.768853
4.948302
8.425092
7.015748
5.776330
6.147801
8.054231
7.150761
7.349010
7.570452
7.438246
8.622120
8.422040
6.807489
6.436506
6.989502
5.142277
7.534196
7.802881
8.900815
7.075076
6.273537
5.621662
5.976043
7.839747
7.995025
8.862850
8.465255
7.051271
5.924772
7.927763
5.054262
6.440535
6.941771
6.062960
5.195379
5.029603
5.934294
7.516129
6.334086
8.236732
6.493515
8.308756
6.410993
7.785791
7.316660
5.501053
8.012116
7.296396
7.696921
6.825312
6.541734
6.427229
7.474258
8.558885
8.794610
6.449812
6.822260
7.517106
6.300638
6.127171
5.244942
7.036744
5.818934
6.772088
5.161077
6.827143
5.354930
7.359508
7.448378
8.563158
6.075655
8.568896
8.323160
7.096194
8.498825
6.632191
8.932920
7.156377
7.330088
7.859890
7.032350
7.422742
5.324046
8.722831
6.122532
7.834620
8.544115
8.363445
7.424574
6.021455
7.393567
6.411847
8.064241
6.724357
5.798425
4.981140
6.843867
6.083590
6.911374
7.718039
4.973815
6.670766
5.714560
6.782342
7.140263
5.135563
8.896420
6.632069
6.283914
8.346721
8.376141
7.487686
5.465407
7.898709
8.852596
5.351146
8.190222
8.861873
7.750877
7.454482
6.570421
6.648427
7.942167
8.013459
6.697989
7.872219
5.612873
7.160527
8.602344
5.073794
5.656697
5.932463
8.170202
5.189642
6.964599
8.188391
6.400861
5.636921
5.989349
6.331278
5.372997
5.891324
4.957701
5.710288
8.295938
8.432173
5.106388
8.577197
7.023682
8.928892
7.316294
8.472213
6.403546
5.545366
8.519822
7.915677
8.836848
7.237190
8.257607
6.277810
8.423750
6.913938
5.757775
# Label of molecule (22)
0.617165
# Number of Instances of molecule (23)
4
10.594623
9.161154
9.607713
10.704558
12.464227
9.130686
11.292009
9.132310
10.561488
8.655242
8.666665
9.954607
9.505638
9.824269
12.550466
10.747071
11.661130
11.090733
11.673902
11.536868
11.952621
8.842045
11.120006
9.745146
9.764175
12.361574
10.640108
9.889308
10.857397
11.655146
12.344589
11.972448
12.236889
11.118653
11.534561
10.550366
10.104477
9.696955
9.266252
11.535628
9.892245
10.317617
12.457215
8.640494
9.331264
12.182450
11.728704
10.034840
11.621279
11.751078
12.295587
8.163193
9.752959
11.531893
9.221236
10.780551
8.534083
12.649608
9.881734
8.730217
9.891309
12.196191
10.707835
8.735904
10.995017
9.182379
10.524596
9.358216
10.300872
10.098349
11.904590
10.073599
9.975608
9.966322
8.135499
8.714416
10.386860
11.485432
8.449556
10.049991
11.286287
9.457923
9.535485
9.427288
9.681849
9.324927
11.950707
8.171180
11.096167
10.087926
10.873609
11.107197
12.582616
8.996605
12.229049
12.620572
11.874242
9.842645
11.465635
11.907332
9.009664
9.324066
9.027652
11.882842
11.672874
8.993612
8.988795
9.288495
11.877145
9.099951
10.655441
11.675973
9.158496
12.469729
9.202625
9.867764
11.392750
11.660702
11.885190
12.737555
10.057920
9.920891
8.580409
10.247391
9.064562
12.340282
10.974381
10.609514
9.165253
10.306427
11.738615
8.306560
10.186679
8.908650
9.529346
12.372339
10.059454
9.700787
9.696770
11.648137
10.287856
9.265255
8.211346
9.082411
6.582666
10.375459
8.394496
8.045982
10.972284
11.144555
10.056080
9.902360
7.484864
10.942732
8.309911
9.944682
9.689458
9.876099
8.903396
6.559194
6.898408
6.958450
9.615154
6.183249
7.420012
7.736261
7.082324
5.390866
7.572817
7.003952
7.875561
7.461852
8.682836
5.455077
5.876232
7.140431
5.031968
7.014206
7.853710
4.867290
7.096484
8.529389
6.442534
5.034898
7.121509
8.467742
7.348201
6.537873
5.354610
5.445067
7.449278
5.252922
8.612888
5.375240
8.174398
5.323603
8.561739
5.109241
6.527009
6.124653
5.079821
6.442778
8.133625
5.781137
6.084979
8.366176
8.690649
8.116779
5.195181
7.430113
8.184652
5.907849
8.602023
6.105853
8.261071
7.316218
8.528169
7.010544
5.116077
6.376858
6.647374
4.874981
8.287317
8.415372
8.840068
6.130512
5.717780
7.270440
6.659215
7.984939
5.468261
5.195425
6.882733
6.868816
6.453154
8.315271
8.526582
8.121418
8.574679
8.511933
8.694189
6.795816
6.630528
8.616184
8.635960
7.454283
6.370632
5.777718
5.395993
8.832987
7.075854
5.890881
8.418424
5.246574
5.036241
7.949171
6.490265
6.612217
6.303247
7.204642
8.395962
4.963973
7.088794
8.008499
6.656163
5.335444
6.188498
7.203665
7.729316
4.884136
7.804636
6.949629
6.047136
6.133564
7.139698
5.850352
5.263665
8.206381
5.141346
7.262261
8.087603
5.926038
8.769387
5.657476
6.076800
8.660253
7.160085
5.915784
6.769570
8.780618
8.066729
8.422330
5.524781
7.615787
4.946028
6.843913
7.450255
8.771706
7.069384
7.461241
6.789712
6.692541
7.031907
4.929304
5.147938
8.341029
6.035051
7.344172
7.925855
7.868969
7.318415
5.487548
8.340175
8.156209
6.113544
7.128468
6.407132
5.091418
6.497467
7.251885
8.259117
8.470305
5.518677
7.094165
5.173818
7.384579
6.972823
4.857158
5.689459
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6.977462
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7.057054
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6.254051
5.278558
7.498230
7.496643
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8.863384
7.800485
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5.494507
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7.147023
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6.078143
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8.310877
7.406064
7.874462
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6.561800
6.385159
6.650670
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5.560060
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5.099231
5.529664
5.599857
7.326716
8.516816
8.275842
6.385769
8.300012
5.361080
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6.091571
5.651128
7.658025
7.372372
5.645390
7.310236
6.541292
7.736518
7.952101
8.941511
5.128651
7.068529
6.466460
8.729957
5.512818
6.129170
8.073199
5.378903
5.745247
5.595462
5.143056
8.694189
8.687597
9.078356
5.647343
6.127094
6.604648
6.037370
8.199423
6.656285
7.375057
6.971114
6.901776
5.378048
6.193991
5.253166
8.873760
6.184103
8.642552
5.993789
5.332270
5.899670
9.000107
8.298914
7.103565
5.257317
5.673345
5.302606
5.438597
6.082415
5.618168
8.348842
9.009262
8.063799
7.627628
7.695624
5.957900
8.486053
8.362636
8.118122
5.878430
6.297021
9.000351
7.785104
6.599765
5.886853
6.374416
6.783975
8.650975
5.952528
6.481719
5.669073
6.279931
8.824198
8.232261
8.408414
5.902600
7.625309
7.315851
6.103534
8.855693
6.647252
8.060991
7.858959
5.329951
8.305994
5.160634
7.173635
8.358852
6.062517
7.141163
6.231712
6.734657
8.678198
7.446837
6.466338
5.731452
7.180349
7.018601
7.772408
6.507233
5.915296
6.237571
8.741798
9.059679
9.061388
6.113422
6.298364
5.612552
7.977493
8.587741
7.105274
5.307367
5.171392
9.123539
5.458266
6.453169
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7.602496
5.941191
8.216163
6.517502
9.004761
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5.849879
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6.871029
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6.411298
9.068972
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6.189611
6.435713
6.294595
5.628559
6.004913
5.880520
5.678365
7.771081
6.465987
8.247291
5.565935
8.866573
5.217536
8.273049
6.593432
5.760765
7.806360
8.732902
6.984313
6.767022
6.300943
6.335490
8.463729
6.495163
8.967650
6.580981
6.913999
5.580218
7.874966
8.952879
5.647603
7.683920
5.303598
5.821924
7.172430
8.144017
5.836085
8.436872
5.323618
6.647877
7.000061
7.373852
5.638813
6.304727
7.342601
8.823969
7.849208
7.490432
8.808466
6.090121
6.363689
6.840754
8.297952
7.671224
6.620289
5.769433
7.280221
# Label of molecule (23)
0.724890
# Number of Instances of molecule (24)
3
10.576478
9.004766
9.585121
10.641475
12.573306
8.877821
11.372322
9.265788
10.572959
8.744054
8.601240
9.847372
9.601684
9.897287
12.736182
10.475264
11.615403
10.937854
11.473852
11.553118
11.822472
9.026180
10.649167
9.378227
9.610428
12.317389
10.577330
9.686621
10.570456
11.616014
12.424600
11.751317
11.921486
11.488926
11.557891
10.503359
10.167890
9.745860
9.079887
12.008468
10.194113
9.935589
12.529700
8.851295
9.321505
12.724817
11.390041
9.881654
11.517161
11.580997
12.735703
8.382865
9.494517
11.750451
9.035196
11.073097
8.244721
12.085839
9.695283
8.227766
10.183844
12.176512
10.741430
8.910453
10.865728
9.341053
10.153384
9.518240
10.051366
9.863773
12.240279
9.810910
9.547728
9.993335
8.608357
8.645123
10.708177
11.515547
8.798465
10.215643
11.664172
9.551825
9.890849
9.239598
9.235229
9.675860
12.063348
8.583376
11.060085
10.209951
11.260082
11.518372
12.405301
9.174806
11.894707
12.442717
11.650644
10.218465
11.312608
11.620434
8.819398
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8.524369
11.818163
11.278507
9.066428
8.981395
9.727615
11.693416
9.449857
10.704511
11.565182
8.834682
12.256647
9.485300
10.049962
11.819150
11.968281
12.247329
12.492867
10.168975
9.874717
8.517433
10.123606
9.268164
12.204544
10.010692
8.559625
8.774554
9.309156
9.649691
6.158515
8.648711
6.372280
9.046484
10.495792
9.123977
12.738503
10.584719
11.365516
11.526467
7.204851
7.880921
8.906588
8.840042
9.353002
9.376830
8.205619
8.915888
9.008644
8.544547
9.942450
7.400357
10.183207
7.828147
10.949610
9.425315
8.433053
11.055787
7.824188
7.605649
6.105762
8.438794
5.847797
8.608111
6.676833
7.387875
6.151387
5.747688
7.979812
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5.546022
8.615329
7.473815
6.343410
7.935621
4.869732
6.405179
7.407407
8.010086
7.876049
8.316980
6.489654
6.725745
8.691382
7.911939
7.370296
6.474517
4.784036
7.594180
6.291894
5.588748
8.369472
8.282189
7.932325
7.557802
6.236717
4.871441
8.055376
6.330470
4.943953
6.721107
7.718574
7.078295
5.255608
5.536866
5.908460
7.794015
7.696356
7.029832
7.482360
5.102283
5.096789
8.722022
5.288079
5.655400
8.008744
8.275964
5.339961
6.490387
6.859050
8.723487
5.923475
5.721564
8.724219
4.966170
7.504822
6.944624
8.594089
5.926038
8.320643
6.726356
5.005234
8.718360
6.521638
8.555147
7.915357
7.223441
7.746895
8.627781
8.694189
7.432432
7.001389
4.846904
8.107990
7.940382
7.715155
6.404813
8.171102
5.963515
6.855144
7.327448
7.737861
7.254936
4.968368
5.354610
7.714545
8.293176
6.028703
5.532228
5.760750
5.119739
5.963759
5.888684
6.360256
5.200552
6.736854
8.573336
6.132221
8.684668
6.857463
5.830332
8.260826
7.436216
5.197867
8.184530
5.916395
8.217490
4.988388
8.211386
8.544527
8.391812
6.867840
7.269707
6.896039
6.527375
5.863170
6.569002
6.675573
8.273400
5.174795
5.948622
6.681310
5.885266
5.640263
7.742500
7.312677
7.772774
7.753731
5.104358
5.319330
8.446745
5.114368
8.170492
8.668798
7.239555
6.180074
7.430357
7.403867
6.173238
7.200613
7.687323
6.370388
7.352718
5.204947
7.976516
7.684271
8.254723
5.919446
4.820536
4.817240
7.292901
7.489074
6.196554
8.175008
6.030168
6.880291
5.587283
8.041093
8.414151
5.836924
7.495422
7.379070
5.903928
6.177984
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6.387463
5.439802
4.915494
7.432295
6.932524
8.877529
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6.594378
5.440535
8.638264
5.436140
5.053072
7.337199
8.224921
8.504959
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7.048616
5.849727
8.201727
6.210822
6.711936
7.591723
6.238655
8.580279
7.744682
4.967254
5.050630
6.324473
6.585955
5.024873
5.423200
7.896176
8.430982
5.589099
5.300882
5.084078
8.831874
8.027772
8.649739
7.307779
7.040559
5.916746
7.249794
5.247536
4.970061
5.980102
8.293283
7.186682
7.646413
7.676321
6.659566
5.437483
7.028840
5.810053
6.748436
8.230537
5.071261
6.540788
8.740684
6.438002
5.902463
5.165990
8.163396
6.509415
4.996551
8.051943
7.636891
6.991974
5.212012
7.088412
5.673696
6.012940
7.572192
5.041841
5.409528
5.097385
6.663472
8.181707
8.137272
8.697104
6.525407
8.555254
6.521744
8.804773
6.907865
8.286081
6.368542
6.030519
7.770684
8.270943
7.822932
8.513382
5.900266
5.649525
6.872951
8.042787
7.518845
6.423841
8.032899
6.768578
6.759667
5.599597
5.080905
5.869503
5.886227
5.227149
8.726768
5.558824
7.127476
6.715476
6.083132
7.800836
8.004944
7.794000
6.818628
7.112461
6.027955
8.499344
8.863613
8.827113
8.630818
8.558916
6.546648
8.193793
6.226691
8.548784
6.035279
5.686392
8.254219
5.200049
6.956816
7.901059
8.090640
5.228370
7.073641
5.411359
8.708335
8.061831
8.888028
4.962859
6.946928
5.842158
5.051485
7.375896
8.279122
7.075228
5.455306
8.535356
5.942625
8.304270
6.873196
6.841700
8.314768
8.181097
8.035829
6.497818
8.404248
8.311838
7.008820
8.006043
# Label of molecule (24)
0.681483
# Number of Instances of molecule (25)
4
10.485504
9.106463
9.524070
10.459077
12.459587
9.021442
11.460740
9.131371
10.419875
8.676930
8.663769
9.816956
9.558900
9.830329
12.626223
10.583458
11.648480
11.165960
11.713677
11.773321
11.983629
8.882683
11.055897
9.679440
9.857556
12.211999
10.471041
9.929487
10.920046
11.553170
12.452749
11.934235
12.056581
11.301704
11.467633
10.725081
9.988743
9.871085
9.055975
11.726341
9.934932
10.176677
12.398203
8.858067
9.080227
12.612924
11.376836
9.985707
11.569600
11.390768
12.216488
8.122523
9.693198
11.651141
9.048201
10.909255
8.523517
12.605580
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10.312319
11.955102
10.454848
8.750382
10.701024
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10.661731
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10.420477
10.184793
11.853060
10.150840
9.493362
9.634439
8.373784
8.973129
10.270376
11.423944
8.804062
10.164417
11.777413
9.390759
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9.413057
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9.811989
12.182907
8.283862
10.889440
10.183589
11.176091
11.320771
12.254615
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12.151768
12.631207
11.461689
10.360578
11.415703
11.646153
9.133523
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8.527348
11.753038
11.525144
9.373712
8.854909
9.303463
11.873113
8.882154
10.916842
11.476169
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12.671480
9.481372
10.313800
11.735273
11.765477
12.177452
12.171039
10.007989
9.977473
8.872184
10.227276
9.453054
12.812309
10.771492
11.146965
9.072737
10.291662
11.362676
8.373755
10.225198
9.128488
9.144167
12.049372
10.728654
12.331786
10.479862
11.749446
11.743515
10.068480
10.372918
10.254080
6.256926
9.417862
7.451327
8.874128
10.051583
9.481999
9.861092
9.454038
8.664572
10.426259
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10.391053
10.647881
11.651376
8.530105
6.710462
7.809636
8.651625
7.349694
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7.210273
5.575457
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6.397626
5.376598
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5.371593
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6.899594
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6.383221
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6.859066
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6.299600
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6.474899
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7.479446
9.111698
8.283303
5.395520
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7.031312
7.303537
6.573412
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6.004913
6.345256
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7.602008
6.147008
7.296457
7.998383
8.735221
7.211249
5.939726
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7.379467
6.363689
9.097293
8.069063
8.135350
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6.814508
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5.504410
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6.481613
6.943052
8.015839
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7.232246
5.662252
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6.022492
7.229560
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6.229774
6.869930
6.880673
6.775689
7.456862
8.705191
6.490646
6.004913
8.372906
5.920682
6.086337
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6.410932
7.357616
6.028718
7.822840
9.042360
7.247505
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7.443556
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6.353679
6.766045
7.542070
7.921232
7.477859
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6.133702
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7.790262
8.698614
5.150533
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6.110889
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6.993851
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7.143635
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6.333918
4.880383
5.055315
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6.957106
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5.169088
8.187490
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7.418302
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6.276910
8.077380
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4.800302
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6.292795
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8.507584
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8.288339
6.629963
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6.334666
6.231880
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8.626118
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7.839106
6.948943
5.375164
7.373394
4.964751
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5.706961
7.899899
6.849818
7.094211
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5.838923
5.171056
6.940275
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7.658071
8.284066
7.806391
6.784875
8.608417
5.455977
6.394116
6.370434
7.558824
6.967620
8.479263
5.789850
5.790216
7.955687
6.077456
5.724174
7.125706
5.874081
6.883389
6.171575
6.771935
7.446394
6.357494
5.224769
6.246651
6.984832
6.837489
7.402570
5.766655
7.953734
6.047548
8.411023
7.471908
5.647389
7.380596
5.208899
4.860378
6.862392
# Label of molecule (25)
0.779462
# Number of Instances of molecule (26)
4
10.383372
9.116791
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8.216422
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8.424070
6.159474
7.734352
4.902234
# Label of molecule (26)
0.753489
# Number of Instances of molecule (27)
4
10.466712
9.092594
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7.088473
7.168432
5.905576
7.638661
6.886319
7.131443
6.869594
7.887692
8.137944
7.344951
8.280160
5.899838
5.519089
7.888668
5.022248
7.805902
5.144078
5.622120
8.664937
5.831721
6.397046
6.072573
6.521317
6.309275
8.192877
6.159124
5.829524
7.457625
8.543352
7.128269
6.923063
5.314859
8.302866
7.073946
7.269753
8.192999
7.968627
8.420301
8.252449
6.029847
8.410413
5.739189
6.566851
7.017060
8.405652
5.279458
6.111759
7.873653
5.853450
5.580615
8.246590
6.145207
7.544053
6.549883
8.290536
4.900174
6.356639
8.372692
8.139286
6.200507
6.764122
7.635731
4.874294
7.719596
5.514817
8.035524
5.238685
6.885342
8.371471
5.047761
5.855037
6.919889
5.777764
5.932676
5.061434
5.153844
8.331553
8.451186
6.239204
5.988830
4.934965
7.667226
6.506790
6.883389
8.503433
6.211127
6.657918
7.736564
8.099490
5.378704
8.215217
8.046510
8.375256
8.441053
5.476363
6.216010
7.192236
# Label of molecule (27)
0.796168
# Number of Instances of molecule (28)
3
10.386075
8.958972
9.628415
10.488522
12.318261
9.033612
11.206510
9.107532
10.308700
8.683127
8.690594
9.877379
9.350138
9.765841
12.737856
10.670921
11.690515
11.050320
11.665490
11.612166
11.718157
8.950235
10.933294
9.577517
9.772632
12.344940
10.683989
9.940230
10.761967
11.561997
12.300445
12.168911
12.232556
11.293438
11.439946
10.895371
10.059818
9.835259
9.114094
11.962898
9.990776
10.186298
12.225904
8.927344
9.420633
12.129478
11.365876
10.192428
11.868865
11.422352
12.226292
8.195015
9.750243
11.778148
9.422739
10.707888
8.199982
12.068432
9.551497
8.646019
9.910897
12.169329
10.777636
8.771541
10.511278
9.529006
10.392761
9.364280
10.140927
9.862594
12.331318
10.158445
9.587926
9.938064
8.460412
9.100359
10.631901
11.159431
8.684612
9.751940
11.884103
9.173866
9.607120
9.404718
9.253255
9.609711
11.936358
8.377895
10.929193
9.878695
10.977492
11.398216
12.302075
9.498296
11.729012
12.577530
11.341089
10.164855
11.096872
11.987940
8.845790
9.245509
9.040604
11.992863
11.621145
9.050568
8.751157
9.271085
11.812782
9.347226
10.353472
11.623953
6.726428
10.196937
9.029578
10.433721
8.702680
10.946359
12.464030
12.570759
10.024876
7.438701
7.333245
9.419839
6.762910
10.979016
10.891897
8.619320
8.702517
10.232379
9.067056
7.025807
9.070468
7.119302
8.093208
12.129911
8.235750
11.877282
8.934511
11.577273
9.699300
7.491129
9.636272
9.050443
6.977673
8.361741
8.842591
6.871882
8.793184
8.867676
9.488155
10.041150
8.391494
10.898541
7.940712
9.329726
8.287546
9.045763
9.612100
7.295144
8.693820
8.617741
7.628957
8.576636
6.595339
6.982299
6.769570
6.531648
5.172353
6.390896
5.422971
7.149709
6.812296
6.571444
7.630192
7.944044
6.047868
7.872875
6.147359
7.589785
6.505524
7.879467
6.797403
7.682806
7.626408
6.338649
7.713813
6.760537
8.204428
5.114734
7.641789
5.284173
8.667211
7.042650
6.167867
6.956832
5.974258
6.053606
8.755226
7.751289
5.006821
6.951216
7.457091
6.025895
8.325648
7.208304
6.186666
5.099719
8.169515
7.165090
5.415159
5.664190
6.573031
4.998398
7.175832
7.405698
7.475158
6.841105
7.246513
5.213981
6.694739
8.423673
7.387875
7.351863
7.649602
6.614414
6.510407
4.960311
8.691626
5.234611
7.647282
8.275231
5.934095
5.519654
7.605533
6.928510
5.447020
5.605716
6.172872
5.712775
8.694189
7.413633
5.754036
5.179678
5.086413
7.306574
6.311792
6.449980
7.529237
8.896466
6.486847
5.609256
8.835795
6.373440
7.773995
5.065783
6.882122
8.733863
8.626682
7.242607
8.381558
5.281854
5.366573
5.981216
7.148244
6.779214
6.773354
5.032090
6.730384
6.618442
7.228324
7.005051
7.284845
8.394986
5.288079
6.155049
6.568026
8.252037
8.563692
8.381069
6.920698
6.374538
7.777535
7.808908
6.118427
8.006302
8.877422
7.335383
7.965407
8.364834
6.078143
8.509369
6.504059
5.831309
8.709326
6.122456
7.718696
5.787240
8.741310
8.886944
6.604282
7.475646
5.867687
5.572756
7.479553
8.260216
5.016221
5.983413
5.415281
5.657964
7.164724
8.139485
8.656224
7.520692
8.336268
5.049791
7.909375
6.739051
7.650212
6.444487
8.374966
6.846110
7.301569
8.841655
6.394192
6.893475
5.345943
5.326655
6.589755
7.976516
8.164144
8.417203
7.939772
5.847179
9.150746
7.995071
9.271844
7.892895
6.359890
6.181906
8.682714
8.499603
8.076861
7.413999
8.715064
8.403653
5.908582
8.822977
6.378567
6.511628
5.920423
8.350795
8.067217
6.154805
5.720954
9.313471
8.281823
8.056230
7.039964
5.613529
7.031541
7.382260
5.672735
7.976150
6.790811
6.256493
6.667882
5.582522
7.885327
7.108448
6.631016
7.478942
7.182546
6.233543
7.021043
6.131367
6.963424
8.939558
8.314295
7.506775
6.846477
5.652593
8.909406
6.049333
5.643559
6.361599
6.651158
8.933576
6.019425
8.770486
6.845378
7.963088
8.830668
5.538453
6.640538
7.494201
6.019791
5.981582
7.653508
6.758217
6.939985
5.607913
6.710242
8.956160
6.981979
6.866131
8.580050
7.502258
5.383053
8.478729
6.576449
5.791391
9.090320
6.735878
6.901288
8.864971
5.551393
6.127216
6.603793
7.348811
9.314081
6.681433
9.034410
8.041459
9.300653
5.394894
6.663854
7.524842
5.641362
7.119190
7.145680
7.173513
6.934980
6.284936
8.494964
5.936903
8.814310
6.837809
7.260308
9.271599
8.692236
5.758553
5.561647
6.594150
5.561892
7.545595
8.871929
7.636418
7.727119
7.032640
8.413907
6.069720
9.336177
7.917432
8.051469
8.781594
6.596713
6.376370
5.546144
7.172658
6.545076
7.140797
8.057329
8.854595
7.244194
5.407834
7.757759
6.119526
6.287744
5.963637
5.443846
7.559267
8.483123
8.891461
8.010941
9.206900
5.588748
9.240959
7.671575
7.577578
6.982223
8.034013
8.791360
6.982345
6.131977
5.980972
6.215842
7.490905
5.749397
9.282586
8.966536
5.917005
6.495514
6.893231
9.176626
8.202963
6.116718
8.620457
# Label of molecule (28)
0.638157
# Number of Instances of molecule (29)
3
10.509478
9.163239
9.497416
10.617428
12.430213
9.063127
11.185745
9.245193
10.352701
8.750156
8.553187
9.841469
9.610424
9.950258
12.500333
10.509960
11.763609
11.235278
11.591974
11.750707
11.800302
8.837890
10.914268
9.472420
9.844220
11.920868
10.389643
9.766774
10.941121
11.689648
12.055070
12.099643
12.285118
10.863180
11.762722
10.941437
9.812004
9.725361
9.149503
12.077759
9.811820
10.371100
12.451357
8.901101
8.897988
12.758827
11.206164
10.119074
11.615921
11.321943
12.313563
8.222727
9.667729
11.846790
9.107471
10.860294
8.600271
12.551771
9.902721
8.524225
9.930088
12.070550
10.540249
8.949619
10.760619
9.370904
10.542302
9.471745
10.333819
9.940786
12.203514
10.384614
10.006452
9.835549
8.553910
9.036953
10.749043
11.070061
8.631173
10.060920
11.702976
9.053691
9.594798
9.154731
9.689856
9.542127
11.794270
8.358711
11.024524
9.891839
11.091352
11.364876
12.242112
9.039801
12.135131
12.454463
11.445084
9.929923
11.158874
11.492701
9.048741
9.207475
8.606128
12.170366
11.702458
9.054656
8.948536
8.141993
9.662066
7.733757
9.424720
9.033489
8.442459
10.280991
8.222866
9.839522
9.452337
10.772018
11.479947
11.735212
9.600169
9.104190
9.043528
7.864213
8.126599
12.804983
10.313691
10.863665
8.626741
8.879571
8.771210
8.657729
8.179307
7.746222
8.503920
11.537420
9.277739
11.377769
10.504300
10.627132
11.165909
7.241343
8.084510
8.338820
8.811280
8.510218
9.149105
8.233161
8.991151
9.395462
9.934639
10.351902
7.452048
11.638038
10.285056
10.557172
9.156651
10.961031
9.103864
7.526568
8.625494
8.650903
9.945700
6.183249
9.475655
6.255149
7.968459
5.561159
6.809244
8.670019
6.640049
8.773171
7.126514
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8.953475
7.223563
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8.973495
6.834758
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6.860027
6.413236
6.245506
5.208975
5.208609
8.440275
6.728797
5.853160
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5.957167
5.246574
8.344569
7.819895
7.481872
8.426603
7.703436
6.582308
8.501068
7.680731
8.763894
6.393094
5.860729
5.980117
5.887829
7.247490
6.523713
6.653722
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5.288324
6.569124
6.584262
6.459014
8.219077
6.308741
6.179342
6.715247
7.925245
5.396115
6.489410
7.839915
7.683294
7.802927
5.850597
5.589480
7.330256
8.536592
6.424467
5.808481
7.768868
7.976028
7.012375
6.400906
6.183981
5.699835
8.517914
5.982437
7.344661
7.680242
8.432463
8.086871
6.367580
6.720618
6.719886
7.802683
8.316126
6.009415
7.474059
5.713263
8.009842
5.666997
6.724769
8.018509
7.421690
6.158589
6.767617
5.708991
6.033830
8.450652
7.391903
7.671819
5.530885
8.783059
6.382229
8.599704
8.203940
7.935377
7.668279
6.580844
6.439970
8.858013
5.498169
7.242851
6.672765
6.547517
7.010178
5.325800
9.169668
8.037797
5.578005
8.561739
7.028245
6.384548
7.304865
6.731849
5.761238
6.515534
7.039476
6.780068
6.839763
6.824747
8.292810
8.854595
8.574435
6.382107
7.426206
8.156087
7.705878
5.636479
8.489227
5.463622
7.083056
6.485626
9.080432
7.216971
8.800638
7.587832
7.606388
6.027482
6.173238
8.791360
8.314539
6.493805
5.920667
8.555513
6.474761
7.197806
5.939100
8.239952
6.083148
7.754830
8.032304
7.134571
8.465911
7.793649
6.980270
6.108051
7.234596
7.664541
6.329905
7.202612
5.115513
6.783776
6.700400
7.316019
6.639485
7.171606
6.951506
7.698477
8.012329
6.459059
7.798578
7.534654
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8.978668
8.771508
7.425764
8.484390
8.489761
7.607654
8.377331
7.187353
8.647481
5.541795
5.716971
8.121708
7.087741
6.870571
6.816858
8.959380
7.005097
7.164647
7.494613
6.003723
6.097476
6.504105
7.970702
5.702445
6.753136
6.113590
7.254250
8.996857
5.355022
8.769677
8.834376
7.881588
8.577044
5.356365
8.549944
7.550890
6.547441
7.946043
5.515915
5.505539
6.755333
7.775994
6.977996
8.995880
6.572466
6.500931
7.971435
6.174871
8.269417
7.092502
8.661763
8.339122
6.397168
8.762841
6.237617
6.628132
7.412458
8.285897
8.235725
8.562151
7.418439
8.093020
8.167730
5.788873
7.899411
5.516648
6.329905
6.417554
7.321390
7.557360
8.664937
7.312845
8.475600
5.548875
6.554521
7.725700
7.438948
6.098086
6.417188
7.634266
8.026612
8.671407
7.984130
8.171514
7.611805
6.205878
8.131596
5.513108
6.187689
7.119358
5.141514
7.601794
8.546892
7.091769
8.268441
9.082186
7.452620
8.997345
7.483505
5.821833
5.677419
7.358501
8.276131
8.393445
8.783959
7.699698
6.383374
7.892209
6.522294
5.172887
7.324931
5.465133
6.721274
8.833766
5.616993
6.925626
7.544786
7.938108
8.542009
5.829035
7.991821
6.640706
7.346294
8.384289
6.512650
7.464217
8.744896
7.576647
7.618641
5.918271
5.603442
7.875973
6.357128
8.641499
7.676870
7.906369
6.530839
5.441816
7.276101
6.451491
6.532426
7.611316
8.740867
7.170751
8.672750
6.887173
8.590960
7.401593
5.875057
# Label of molecule (29)
0.630878
# Number of Instances of molecule (30)
4
10.630690
9.152370
9.607141
10.647814
12.262572
8.989513
11.429633
9.290318
10.306569
8.677230
8.749633
9.890841
9.403760
9.719817
12.589023
10.505794
11.511104
10.994773
11.477080
11.805197
11.795608
9.016316
11.129387
9.594260
9.853171
12.169091
10.562013
10.117025
10.837524
11.757778
12.202630
12.223015
12.016671
11.170499
11.557010
10.811244
10.090882
9.671200
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11.963581
10.112071
10.186599
12.711683
8.791550
9.188453
12.511907
11.371214
9.900137
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11.308215
12.627065
8.547610
9.833084
11.377726
9.478892
11.117070
8.403846
12.641481
9.310637
8.392298
10.341739
12.147565
10.749790
8.496559
10.748578
9.583011
10.456518
9.036604
10.268650
9.934799
12.294872
10.085572
9.981179
10.024026
8.154038
8.822165
10.691440
11.126209
8.638267
9.938423
11.612972
9.147271
9.635454
9.273027
9.472624
9.466067
12.361189
8.621292
11.016822
10.259201
11.193317
11.307525
12.136874
8.953053
11.772850
12.122050
11.576395
10.073299
11.469490
11.873202
8.794498
9.625066
9.062374
11.844442
11.740796
9.340035
8.655409
9.218944
11.447038
9.096061
10.477128
11.265099
8.860696
12.440908
9.410190
9.975711
11.426458
12.205847
12.148568
9.472775
8.778173
8.747845
7.641340
9.353360
8.641162
12.266214
10.091859
9.969926
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10.045913
10.266055
8.163704
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7.393450
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10.319628
9.813177
8.610734
9.548203
11.252706
7.428079
8.991290
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6.485869
10.740162
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10.785744
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5.264885
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6.712683
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5.929456
5.671026
8.759743
6.841227
6.363796
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8.828837
8.890118
5.652593
8.584567
7.946608
7.874706
9.034165
8.409024
7.553041
7.395444
5.944349
6.320582
6.420072
7.180349
5.650761
8.012162
8.000687
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8.274987
6.462676
7.465148
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6.672643
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7.883618
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7.120411
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8.043046
8.905988
6.413480
8.347865
5.290521
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6.817423
8.777078
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7.569399
6.670080
5.381710
9.187490
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5.916517
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5.487838
8.753563
8.152348
6.628010
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6.996429
7.737663
6.899869
5.814020
5.592090
5.112217
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5.134068
5.109531
7.008393
7.870113
6.162053
7.833491
7.375835
5.242470
7.811396
8.660665
6.342479
7.926389
7.451033
7.183447
6.564653
6.178655
6.519242
7.734611
5.321085
4.949736
5.064486
8.767113
8.222907
8.571917
6.094180
4.945585
8.416150
8.096438
8.600482
7.324198
5.151891
7.655019
6.141911
4.983551
5.598315
8.218757
5.855281
5.506149
7.769768
5.130894
8.771020
5.660573
8.447890
5.788141
6.308786
5.672903
5.970519
7.845088
5.828181
6.458449
5.762627
8.316782
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6.483840
7.956297
5.632496
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6.668783
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8.552873
5.224036
5.734184
8.609760
7.209082
8.472182
7.228980
8.532487
6.077578
7.042817
6.200140
7.107883
6.024354
6.920377
8.552629
6.242866
5.738456
5.808283
8.274056
7.583117
7.219825
7.548326
6.404370
6.302683
8.196417
7.876217
5.620777
7.169042
6.346751
6.887906
8.314829
5.254433
6.201605
5.591723
8.037965
7.672720
5.600391
5.921812
6.188299
6.712729
8.578021
7.586901
7.814814
8.746605
5.554613
5.130406
8.413465
5.285440
7.707755
6.576983
5.591357
6.559771
8.396008
5.038362
7.472152
7.996460
6.515213
8.657735
7.718619
5.970641
8.657857
8.261849
7.048555
5.206336
4.951933
8.102054
7.116794
6.198553
# Label of molecule (30)
0.678945
# Number of Instances of molecule (31)
4
10.502683
9.086244
9.550951
10.546121
12.331153
9.051392
11.223705
9.334184
10.555988
8.924681
8.515121
9.887583
9.511660
9.791308
12.457728
10.754286
11.458923
11.080286
11.475632
11.533130
11.740649
8.989089
10.879740
9.519177
9.641331
12.277867
10.626177
9.939352
11.003361
11.636566
12.528426
11.935585
11.961414
11.314925
11.741309
10.841084
9.942030
9.750253
9.046772
11.989723
10.074016
10.399360
12.394203
8.788330
9.048116
12.620056
11.556755
9.958903
11.659466
11.861107
12.088092
8.375879
9.548208
11.322106
9.023456
10.949796
8.562437
12.610013
9.868807
8.696084
10.448528
12.297530
10.519429
8.561698
10.675708
9.387000
10.314293
9.173673
10.596829
10.006535
12.024564
10.181770
9.984610
9.765045
8.350898
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10.289010
10.951836
8.629795
10.160270
11.782781
9.430473
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8.942130
9.474037
9.597966
12.408381
8.094946
10.822871
10.245292
11.346921
11.294033
12.534247
9.018469
11.630919
12.133775
11.565725
10.396583
11.176110
11.796947
8.669285
9.159422
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11.778977
11.590985
9.394471
8.680265
9.784841
11.660180
9.059281
10.851800
11.140878
8.802239
12.634724
9.507438
10.380720
11.774736
12.332509
12.285092
12.597193
9.839468
9.977510
8.999579
10.371461
9.210233
12.532141
11.388426
10.639213
9.335363
10.384639
11.880708
8.524026
10.564608
8.710408
9.287929
12.019878
11.145667
12.750149
10.013834
11.409487
11.774038
9.726878
10.461476
10.605913
8.416046
10.903058
9.813481
8.837895
11.494841
11.119350
10.220563
11.185165
8.430902
12.299746
10.823426
11.226178
8.262282
8.153477
8.975377
6.953832
5.879772
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7.993515
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5.525056
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5.165426
5.388333
8.848766
6.048875
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8.371212
5.946699
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5.376614
5.635655
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6.706122
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6.288507
7.561739
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8.618046
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6.187796
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8.644536
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8.708502
6.281915
8.834483
7.090045
8.626347
5.356594
4.900281
7.469085
7.009232
7.253624
5.218406
7.179525
7.794900
6.210257
6.520203
5.614536
8.086901
5.946821
7.761696
7.742042
5.318262
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7.050005
5.210837
5.157613
5.431791
8.497803
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8.619633
7.882794
8.546022
6.140431
5.616733
7.987655
8.033555
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5.346461
8.493286
5.045793
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7.668676
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7.126423
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5.475616
8.171743
8.321528
8.186514
7.935896
7.512055
7.513764
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5.260521
7.259117
6.716254
7.584811
5.369655
6.661931
6.703314
7.976180
6.830760
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7.351772
6.284234
6.446348
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6.067797
5.686926
5.864544
6.181692
5.675573
6.857250
7.588961
7.281213
5.141377
8.142567
8.760384
8.059313
8.508057
6.735542
7.089068
7.604953
5.416776
6.713569
7.308557
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6.588565
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6.528871
5.047136
7.642186
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5.809977
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5.584140
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6.617618
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8.015488
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6.708411
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6.870281
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6.559603
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5.902234
5.766732
7.348811
7.069506
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5.455931
6.465972
5.299188
8.151326
6.387112
6.025407
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8.044389
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8.239830
7.534120
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4.982894
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8.655248
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8.918683
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8.607639
5.933607
6.269189
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7.343196
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6.560457
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6.159566
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7.678533
7.847362
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8.983749
6.341578
6.924604
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8.482513
5.511231
8.019242
6.813761
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8.303552
8.941877
5.966933
7.096484
8.006424
6.597446
6.475616
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5.517090
7.602237
7.938063
8.996323
6.041520
8.694189
5.498291
7.438780
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6.356594
5.954360
5.713752
7.695990
9.026597
5.734993
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6.583285
7.263237
6.617100
6.258812
7.403989
7.254814
7.061815
6.312403
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7.033494
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6.041520
6.439360
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7.467711
6.579989
5.469970
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7.035325
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6.193625
5.181631
6.062517
5.375240
8.989242
5.189688
7.294366
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8.292077
8.402554
5.435667
7.075732
8.270470
7.008103
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5.719977
8.150227
6.812418
6.495025
8.841655
7.364925
5.829478
7.348933
5.598025
6.729163
7.424986
8.424406
7.505432
8.010331
6.890057
8.023881
5.429685
8.273278
8.319788
8.842875
8.571017
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6.671300
6.553987
7.314142
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7.876537
6.351100
7.822581
5.480834
5.884899
8.830058
8.248375
7.177541
5.510010
8.579073
8.435026
6.124409
5.956923
6.857341
6.987106
6.986373
5.903699
# Label of molecule (31)
0.782556
# Number of Instances of molecule (32)
3
10.368934
8.887045
9.665629
10.579478
12.467534
9.113298
11.398049
9.104112
10.572690
8.734956
8.604433
10.096643
9.559179
9.937177
12.662942
10.604870
11.516151
11.199603
11.733564
11.670643
11.770124
9.005590
11.040273
9.591647
9.904880
12.579743
10.561842
9.934610
10.689177
11.776174
12.310566
11.939798
12.019871
10.885021
11.660792
10.938545
10.006601
9.827889
9.223866
11.553897
10.312331
10.365487
12.621311
8.709519
8.948814
12.106929
11.314158
10.299134
11.820107
11.262139
12.241072
8.590843
9.458293
11.645362
9.345797
10.652499
8.563607
12.658910
9.640255
8.638876
9.884332
12.434441
10.684443
8.597899
10.571794
9.235580
10.297029
9.330746
10.364017
10.181743
12.203514
10.026122
10.015732
10.131798
8.542693
9.171839
10.665976
11.582437
8.802429
10.210151
11.312488
9.132904
9.919312
9.473722
9.678244
9.757004
12.170928
8.629149
10.981161
9.654771
11.084042
11.139594
12.404479
9.248978
12.167730
12.714261
11.948616
10.134958
11.322235
11.632760
8.895955
9.289869
9.051903
11.764437
11.369997
9.158559
8.576617
9.759232
11.851011
9.370355
10.974602
11.092034
9.242669
12.355846
9.196876
9.810304
11.308625
12.136683
12.386421
12.392671
10.109344
10.377277
8.781602
10.234000
9.425681
12.453904
10.823704
10.673624
9.228991
10.451425
11.554029
8.645213
7.965421
8.677597
8.982029
12.323652
8.040495
9.378404
8.565177
10.797143
11.144004
7.958571
9.117553
10.614735
8.883610
9.911962
9.979837
8.806440
10.873144
10.646634
9.883336
10.379782
7.512665
12.129694
8.242217
9.848833
9.333598
11.230315
9.894937
8.855920
8.511417
6.774307
7.627720
7.559025
7.114363
7.974853
8.794855
8.519333
5.757286
8.541063
6.083834
5.655110
8.282632
9.193670
5.612995
6.518662
6.742546
9.219306
8.335002
7.617206
5.842250
7.359264
8.195715
7.698263
6.212500
5.849574
8.840144
9.013245
5.345897
6.804193
6.749260
7.416395
5.651692
8.373455
5.680624
6.674917
5.502152
7.050295
5.288888
6.364971
7.145756
6.499374
8.801202
6.728629
5.363231
7.285409
8.621876
7.866482
6.740471
5.874477
6.742790
6.641835
7.433851
5.284494
8.832331
8.670339
7.301889
5.757286
8.878964
6.770379
8.280801
5.831996
7.265633
7.250252
6.874996
6.188696
7.148198
7.405042
8.642140
6.643300
8.013092
5.600787
6.543199
8.664113
5.290109
7.318613
7.036744
5.787072
6.895505
8.534837
5.788293
6.305521
7.578509
7.812647
8.873959
6.606677
7.948515
8.479293
5.349071
7.533341
7.056276
6.264138
7.061892
8.142369
7.405896
7.773217
5.581011
5.237861
5.269723
7.173345
6.118259
9.052919
9.185125
6.464095
8.316080
7.452284
7.503311
6.709220
5.778771
9.037660
7.870754
7.604633
6.220923
5.522660
5.513016
6.757317
8.106723
7.758446
7.199469
8.049837
7.657735
7.781762
7.761986
6.466292
8.102451
5.261422
6.043916
6.753899
9.042665
6.719474
9.153874
7.295175
7.812647
7.898831
7.897610
6.567003
6.705191
7.655904
8.267617
7.559587
5.939787
7.750877
5.858852
5.532060
8.248207
6.911863
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6.478866
6.951659
7.547502
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5.681845
7.406507
7.482192
8.260537
5.723472
5.690390
7.090945
8.928892
7.335948
6.406842
8.206580
8.783502
8.461226
7.481948
7.176519
6.118503
8.897031
5.826991
6.441877
5.285226
7.903958
6.057390
8.159017
5.965957
6.244652
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5.366207
7.114063
7.167165
7.112720
9.061144
7.659978
8.000076
6.702307
5.768197
5.999771
5.917615
8.695532
6.048479
8.707373
7.658269
7.028123
6.747230
6.768838
5.266717
8.701514
5.826914
7.683538
5.363033
9.144276
9.162343
7.307306
6.306421
8.506195
6.669958
7.312555
7.635197
5.754158
9.150624
6.141377
6.153462
5.449828
7.215629
5.325312
7.043138
6.080584
7.675481
7.046922
8.371670
8.821390
8.763771
8.819681
7.376034
7.599673
5.572512
7.158498
6.893109
7.342341
7.072924
8.119343
6.314844
7.275079
8.097125
8.579073
7.440855
8.152547
5.656621
6.133686
7.604923
8.292932
6.970626
5.488891
6.449980
7.292901
6.580966
7.216971
6.726722
6.295801
7.927686
6.755898
7.489929
7.690985
6.760903
5.527100
6.068987
7.117115
7.763131
6.043718
7.186575
8.644993
7.757759
8.886456
7.600162
8.015702
8.878521
7.422178
6.643345
6.807901
7.075121
6.139424
7.039598
6.409940
7.329279
6.476104
8.364101
8.672094
6.957076
6.013565
5.530274
8.112384
6.371731
6.914716
6.673986
6.553743
8.683691
7.477477
6.810587
7.063890
7.509461
8.681372
7.642033
6.077044
8.368740
5.600955
7.885815
8.568331
7.040574
7.562319
6.502960
9.158925
6.256615
8.914899
7.200003
8.026200
6.104633
6.297021
6.578524
8.492767
5.518555
8.268883
6.308374
9.170278
6.229148
9.186392
7.700018
5.533326
8.550386
9.192862
9.048936
5.798471
6.376980
8.202963
8.129841
7.981399
6.768349
7.754341
6.213767
7.009934
5.492553
8.600070
7.983352
6.767006
7.907056
5.919568
5.721931
5.937513
6.549471
# Label of molecule (32)
0.735258
# Number of Instances of molecule (33)
3
10.388825
9.079702
9.529077
10.545461
12.529946
9.012207
11.388338
9.216064
10.545842
8.807135
8.520229
10.017171
9.611253
9.992719
12.617503
10.740779
11.713745
11.142093
11.736575
11.769936
11.940052
9.002586
11.072726
9.721320
9.861545
12.360272
10.430418
10.124872
10.919333
11.767396
12.421627
12.337869
11.745363
11.248902
11.563135
10.646348
9.804277
9.936905
9.221686
11.928162
9.748751
10.216378
12.786324
9.009009
8.936513
12.672781
11.222568
9.736351
11.628816
11.453338
12.444980
8.458650
9.521445
11.545803
9.225120
10.609867
8.243266
12.656432
9.748687
8.603197
10.283845
11.945016
11.000952
8.786669
10.794760
9.570416
10.472380
9.521832
10.003234
9.956222
12.044095
10.031694
9.566158
10.026218
8.168582
8.877811
10.379449
11.550982
8.504883
9.987425
11.482402
9.474625
9.969921
9.163940
9.648769
9.540893
12.072573
8.547277
11.045002
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11.472918
11.542608
12.003882
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12.512063
11.965201
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11.141981
11.419271
9.024170
9.276031
8.563776
12.264679
11.379700
9.325303
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9.618971
11.859597
9.430264
10.726511
11.254057
9.013443
12.740520
9.493388
10.002114
11.646197
12.313357
11.912704
12.791663
10.213460
10.129155
9.036839
10.238540
9.104848
12.229091
11.226693
10.872131
9.083155
10.073823
11.891056
8.757542
10.219354
9.089782
9.040450
12.261794
10.786505
12.808820
10.551322
11.402975
11.586230
10.072603
10.073397
10.740952
8.660947
10.764710
9.430293
9.075564
11.470715
8.954621
8.609290
11.393542
8.288453
9.713103
10.965807
8.640392
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7.626213
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8.577166
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7.047445
6.678398
6.683874
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6.080462
6.888836
5.859752
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6.588168
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6.464019
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7.720161
6.274926
7.377377
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6.329981
6.265526
8.594333
5.114978
6.241844
7.511414
6.284814
6.397366
7.210135
7.896680
8.981796
5.387936
8.626194
7.997024
5.517823
6.244163
7.654241
8.178549
8.079669
6.846599
8.673070
5.907605
6.254173
8.106159
6.895672
6.647008
5.942274
5.792856
7.045579
7.713080
9.014634
7.264702
7.960768
8.468230
7.584414
5.468017
6.004044
6.224754
8.772683
8.588595
8.152425
7.235282
7.840648
5.723884
7.640446
8.142293
5.563845
6.955977
9.034776
5.265618
7.724677
6.195456
7.612125
7.100024
6.595126
5.176016
5.917615
7.397885
6.288842
6.971725
8.377285
6.214499
7.854076
5.411252
8.840800
8.288293
7.983596
6.768471
7.928541
6.131245
7.218436
6.098529
7.058397
5.207511
5.516480
6.599765
8.027665
6.570956
5.065538
8.372158
9.023545
8.338832
6.211814
6.950117
5.939589
5.377438
8.381802
7.984451
5.871593
8.573092
5.870006
6.445708
5.667364
7.063524
6.371242
8.728614
6.406644
6.806681
6.126972
6.026994
8.686254
8.858623
5.566286
5.360103
7.583804
8.738624
7.313288
6.620151
8.177450
8.254967
8.436125
8.018998
8.494476
5.166494
8.813944
8.309046
6.763833
8.055376
7.495911
8.151082
7.850780
5.784677
8.927229
7.007126
5.743171
6.919111
6.917035
5.930311
8.969955
6.479644
8.224448
8.629490
5.822886
7.409726
7.635929
7.180837
8.258507
6.127827
8.409635
8.764382
7.354549
5.540773
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6.678014
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6.068255
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7.694281
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6.695105
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8.594211
5.905774
6.357326
8.017777
8.192709
7.961257
6.242332
9.034165
7.714301
8.918439
8.956526
8.816141
7.122364
8.837016
5.849132
8.015702
8.641942
6.142109
7.369320
7.078173
8.925398
8.916852
6.195334
6.703650
7.491272
7.999344
9.077258
5.798959
5.812021
6.759682
6.762856
6.798013
5.424680
8.431486
5.387082
8.223106
7.440001
7.872997
8.695288
6.365017
5.825083
8.633274
6.478423
5.953749
8.835185
8.197592
6.594516
5.697394
8.967269
8.287439
5.950087
6.562654
7.814035
9.091418
5.818125
8.673315
8.189901
8.298669
6.867351
8.699316
7.905713
7.814524
5.275994
7.615299
7.567690
9.028306
5.308588
8.699561
6.773476
7.513123
5.726936
7.650578
9.082995
8.028520
7.412534
6.696326
6.136616
6.704138
7.575625
6.569857
5.297601
5.276849
7.924268
8.228111
7.192679
8.259362
6.169698
6.186666
5.525269
7.910718
6.243065
5.348262
7.539003
7.889843
8.596896
7.196951
7.502503
6.460967
7.968947
9.235221
7.594546
6.130512
7.981033
7.538148
6.561190
6.587558
7.949293
6.300439
6.522248
7.824534
7.279717
8.249229
6.300439
8.312830
6.825968
5.799692
7.650334
9.107288
8.581027
6.829020
6.758339
8.756325
9.082263
6.940596
5.394284
7.891064
7.900098
6.096698
6.083636
8.369228
6.589389
5.492920
5.679571
5.849376
7.476012
6.550325
7.708075
8.668798
7.653996
7.898267
7.861888
5.901502
5.569338
6.226585
9.017563
5.472045
7.564394
8.878399
# Label of molecule (33)
0.777975
# Number of Instances of molecule (34)
5
10.450614
9.002035
9.728998
10.495532
12.314770
8.912702
11.317319
9.210251
10.470173
8.705621
8.614996
10.079233
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9.876167
12.550510
10.740487
11.640506
11.174263
11.611292
11.842389
11.944231
8.976796
11.096934
9.602982
9.881521
12.329361
10.662885
10.080284
10.950044
11.817355
12.207187
12.040434
11.900837
11.175586
11.682622
10.953043
9.822734
9.881906
9.243861
12.002158
10.221225
10.196616
12.453146
8.929067
9.187986
12.355483
11.484122
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11.846466
11.471583
12.296377
8.338806
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9.214926
10.769782
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12.610574
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10.345205
12.130893
10.734568
8.850563
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9.252091
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10.065961
11.977545
10.261345
9.609215
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8.498510
8.651617
10.483394
10.991312
8.527154
10.123523
11.531529
9.568402
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9.683624
9.440344
11.900227
8.369905
10.781995
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11.121847
11.212569
12.676324
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11.821580
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11.838643
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11.454434
11.847818
9.041817
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11.447869
8.851592
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10.744636
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12.589487
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10.044478
11.316299
11.983318
12.138127
12.737904
9.740425
10.143201
8.724226
9.913112
9.153619
12.230142
11.308583
11.003123
9.492472
10.123415
11.555215
8.277166
10.164660
9.029705
9.214452
12.312244
10.619541
11.528171
10.319968
11.377831
11.164160
10.042283
8.081164
8.329617
8.416784
11.054465
9.731794
8.100547
10.824042
8.931891
10.026264
10.030771
8.395830
11.250548
9.535537
10.469953
10.393511
11.356614
11.244830
8.749270
8.921673
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10.386878
8.993288
8.215850
6.616116
8.463393
8.276742
7.904782
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7.488876
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5.470992
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6.950652
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5.851253
9.205237
6.350902
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6.601276
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5.645558
5.992370
7.593738
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8.551897
7.222022
9.001373
7.659780
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8.787866
6.889126
7.742424
6.568926
7.755119
7.825068
7.798334
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7.456526
6.343333
7.304666
5.313761
8.852565
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7.533067
7.529893
5.583422
8.005860
7.217505
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7.735466
5.930723
6.643391
8.447645
5.971984
8.322398
6.291452
6.505325
7.908567
8.805567
6.912198
8.116092
8.604511
6.521439
7.903073
8.973785
7.047090
9.121982
6.868007
6.217353
6.502274
9.286172
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# Label of molecule (34)
0.781202
# Number of Instances of molecule (35)
5
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7.371929
7.123630
8.688498
7.845454
7.806879
8.996124
8.592303
8.152226
6.329783
8.108158
7.563219
6.603961
6.572954
6.676840
6.989837
6.154485
5.344157
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6.635334
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6.973968
5.614551
5.929868
7.350688
8.909207
7.310038
5.479659
5.822321
6.842372
8.819117
7.349590
6.704672
6.628254
5.758599
7.943968
5.286294
8.471938
8.298349
7.597278
5.734916
5.766778
7.685781
6.252144
5.167028
6.955046
8.329722
8.597064
8.959624
6.786950
8.310068
8.040407
7.179418
7.353984
5.194128
8.895657
8.005005
7.269509
6.032777
8.152715
6.014466
7.373394
6.409986
8.209113
5.216590
7.335429
5.423261
5.938658
6.698813
5.531541
5.468062
5.469893
8.767113
8.568743
7.702383
8.050539
5.453536
6.833094
8.065676
6.373608
7.266091
6.437086
8.727317
8.739036
6.054384
5.939756
5.840632
8.425916
7.869747
8.214850
8.475845
7.651357
7.690298
7.843257
5.606861
7.489364
5.889828
8.403821
8.030519
9.127232
8.323252
6.036683
6.087222
5.830378
5.903500
5.656178
6.063662
6.996307
7.547594
6.186590
6.148991
5.666066
6.362255
5.195837
6.821131
6.874966
8.949492
7.304422
8.537736
8.211188
7.701529
6.740196
7.606800
5.962828
5.965880
8.419080
7.111789
6.224555
7.949950
5.922056
5.767022
6.340159
7.244484
8.748070
5.576708
6.056703
5.838679
5.212073
5.175085
5.764214
5.502609
5.370037
7.719718
7.196265
7.411359
6.339671
6.215644
5.966613
5.886898
8.396374
7.143651
7.316752
8.132450
8.215949
7.268654
6.449660
5.832453
5.642628
8.501968
8.823878
6.497391
6.354320
5.694143
7.783929
6.422559
8.801416
8.232429
6.901822
9.142003
5.793756
6.316843
8.404309
7.247414
9.113071
6.792322
7.060762
7.451155
7.520005
5.409589
# Label of molecule (35)
0.690134
# Number of Instances of molecule (36)
4
10.416062
8.947458
9.718347
10.507104
12.515601
9.096475
11.428647
9.152099
10.345022
8.801522
8.521626
10.012293
9.572780
9.727264
12.628553
10.724009
11.619644
10.989475
11.538604
11.589572
12.008462
8.831709
11.053029
9.681761
9.844364
12.155653
10.520858
9.893203
11.035795
11.643647
12.340292
12.061948
12.006900
11.101506
11.463431
10.957785
10.056932
9.881795
9.091407
11.988893
10.199214
10.215823
12.418095
8.906336
9.213690
12.484986
11.533972
10.035933
11.566340
11.660584
12.438467
8.301912
9.724579
11.483958
9.314885
10.854848
8.524233
12.475065
9.588680
8.416639
10.164035
12.141270
10.920404
8.630295
10.843536
9.502370
10.648346
9.166774
10.324441
9.978582
11.717151
9.910647
9.515740
9.977060
8.521512
9.156752
10.307508
11.093942
8.617954
10.141364
11.582003
9.255700
9.720163
9.249854
9.704222
9.313491
12.195292
8.161455
11.206922
9.786318
11.363441
11.379536
12.548135
9.338389
11.720198
12.639815
11.406267
9.910149
11.008793
11.934139
8.678464
9.672939
8.865598
11.685280
11.513442
8.968729
8.809924
9.723452
12.073074
9.024977
10.778478
11.496233
9.083071
12.825231
9.316209
9.863015
11.817067
12.049003
11.932517
12.819022
7.328070
9.855059
8.545097
7.758225
8.381924
11.139409
9.719030
11.182037
6.711763
8.188079
9.087979
8.234569
10.541604
7.564467
8.278461
11.384096
10.430508
11.873119
9.740131
9.062174
10.637411
8.107699
7.639101
10.838316
6.533822
9.674538
8.406356
7.234585
9.130570
11.264015
10.184526
9.298560
6.637832
9.377532
8.632193
11.108640
9.548490
9.962130
9.673175
9.048729
7.358750
6.131510
9.024557
7.476418
9.550734
6.593894
8.973861
5.701666
5.872814
7.336726
8.930158
6.051408
8.864483
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5.448973
8.351772
7.794748
5.276849
5.721442
5.568117
5.531861
7.393368
7.809641
5.904187
8.852641
7.064379
6.533357
6.650548
5.247307
6.775430
6.660924
8.245567
6.716224
6.963546
6.279321
5.920301
6.432524
8.597140
7.220389
6.306665
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8.654027
7.415098
6.379299
6.219138
8.873028
8.053179
6.110004
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8.153279
6.423124
8.206992
5.309076
6.978439
7.305597
8.315882
8.394742
6.237693
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9.056505
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8.821635
8.440153
5.269768
7.685125
6.365139
5.527467
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7.515198
5.469359
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8.082965
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7.010422
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8.010453
7.859203
6.016373
6.897259
8.616184
7.805857
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7.920606
7.335261
6.732337
8.158406
8.353359
5.959975
8.038774
8.004105
6.228660
9.078356
5.314447
7.923048
5.266472
8.095050
7.876904
8.834208
5.172720
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7.501892
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7.753731
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8.662694
8.532563
5.180898
6.469756
6.799112
6.299219
7.220634
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5.939222
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5.434080
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7.852733
8.574923
6.629917
5.136219
9.021348
6.635166
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6.986129
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6.089007
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6.670690
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8.657933
6.458525
7.506043
7.085131
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7.337092
8.117512
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8.124470
7.266778
8.808817
6.659215
5.820200
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8.941389
8.459075
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7.830271
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8.507416
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4.944441
6.807413
8.247032
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7.956618
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8.116169
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6.653966
6.966109
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6.121113
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8.659398
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5.983047
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6.283715
4.990463
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6.143452
8.452971
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8.334803
6.542879
5.340815
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6.012467
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4.981796
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5.660573
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6.114933
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5.843440
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6.177923
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6.745201
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7.850215
5.845882
7.620960
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6.473708
6.505814
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8.272347
5.755547
8.038697
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5.713675
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8.702902
8.456679
7.575793
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5.640553
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5.529466
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7.898068
6.607990
8.355724
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7.474471
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7.797723
8.219611
7.593982
8.985015
9.175573
6.526200
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8.239021
6.706748
6.699057
6.301584
6.933439
6.786584
7.422712
6.878140
5.531663
8.140873
6.898892
8.976226
7.008637
6.566118
6.612262
6.973724
7.533311
6.125431
6.444899
9.361858
8.951933
6.142644
8.234993
6.826380
7.139866
5.718558
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8.293954
8.094485
8.147343
5.424360
6.311106
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6.317209
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6.585284
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8.363292
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6.093570
6.047792
7.176122
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6.540605
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6.013367
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6.592853
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5.440474
8.026978
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8.675192
5.500290
9.089145
5.896176
8.206305
5.672536
5.633473
6.296823
5.978942
7.360820
# Label of molecule (36)
0.702099
# Number of Instances of molecule (37)
4
10.614611
9.050490
9.548343
10.486280
12.482291
9.057360
11.507486
9.260737
10.555383
8.722555
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12.513474
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11.578323
10.947018
11.686515
11.521802
11.748756
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11.162278
9.514406
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12.145614
10.408675
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11.034458
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12.511148
12.230562
12.178882
11.166846
11.696641
11.007255
9.849873
9.496600
9.330506
12.127729
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10.386302
12.776575
8.720030
9.182597
12.701050
11.494894
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11.490909
12.421527
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11.278931
9.482098
10.831780
8.436113
12.134345
9.312971
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10.262895
12.469196
10.672336
8.824635
10.677865
9.303662
10.209497
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10.174161
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11.930164
9.909028
10.018536
10.112124
8.523117
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10.582251
11.475056
8.671001
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11.855311
9.540631
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9.121729
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9.569520
11.831020
8.596487
11.136983
9.988230
11.438122
11.338425
12.392733
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11.956932
12.641951
11.891865
10.227721
11.085085
11.433815
9.141887
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8.925259
12.077666
11.761377
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10.472646
11.079747
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12.356131
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10.535623
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9.154846
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12.703930
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11.016414
10.340408
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6.769448
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11.933445
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6.575831
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5.731193
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6.130619
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8.037294
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6.419813
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7.337443
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6.842311
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6.716697
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6.816431
7.223426
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8.417676
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6.238044
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6.973296
4.919172
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5.875011
7.530702
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7.612125
5.338740
6.615635
5.031236
8.135090
7.760689
7.350398
5.166738
5.417234
7.506897
5.435789
7.422178
5.105701
4.978256
7.538148
8.893536
8.250938
5.326289
6.616489
5.998062
5.458861
5.255852
6.617710
8.460051
6.597324
7.287774
8.413785
8.694189
4.932478
6.858196
6.855144
6.964034
8.569430
7.629093
6.817911
6.688391
6.072649
6.383328
8.117023
8.270348
7.142384
6.882855
7.162160
7.825144
5.218131
8.060137
5.230583
5.182241
6.889325
5.922864
7.232475
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6.984298
6.543977
8.843120
5.114490
6.214377
5.511231
7.877026
5.259636
6.247826
7.215140
5.780526
5.264275
7.087817
7.345149
7.115162
6.370022
5.630985
7.974319
6.908124
5.283197
8.280114
8.603366
5.746834
5.591067
8.486175
6.540437
6.488433
5.449705
6.096210
5.993667
8.462737
7.922559
7.379940
5.247063
5.041612
6.340236
6.610630
5.299677
8.452239
7.060839
8.077593
5.339228
7.704657
6.001602
5.400876
8.427580
7.514344
5.321039
5.027696
6.770791
6.090228
6.622837
6.782388
5.952406
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7.059008
8.346278
5.500488
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6.706580
6.542634
7.166555
6.251244
5.592532
6.300928
8.290002
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7.676260
6.604083
7.675649
7.347514
5.050935
5.951353
8.426160
6.668661
6.243233
7.948973
7.213599
5.407270
6.436720
5.955992
7.132664
5.528123
7.641346
7.321024
4.994293
5.161534
7.448103
6.967009
6.390332
5.825983
6.496048
8.469497
5.404462
6.329295
8.024171
6.500687
5.349895
8.226203
8.884182
6.517411
6.902188
7.703360
7.390484
7.564806
8.007569
6.771203
7.379498
8.072512
5.939146
6.634236
7.856197
8.518448
5.876278
8.116337
5.600513
6.834925
6.382763
6.015442
8.110843
8.431043
6.158147
6.263863
8.257088
6.707968
6.437819
8.767113
6.021058
7.941771
5.416181
8.797998
8.697043
8.406995
7.068453
7.820673
6.927824
5.619068
8.745872
6.618488
5.953307
7.568346
5.919614
7.602893
5.443037
5.820246
6.447462
7.175512
7.291116
8.359630
8.739769
5.020905
8.746361
6.050111
8.197760
7.203955
8.253914
8.588031
6.301706
5.946104
5.382122
7.821039
6.721519
8.957671
6.211249
8.310801
8.825831
5.198401
7.556749
7.011933
6.964324
7.943968
7.405133
5.943541
5.900082
6.031068
6.934660
7.727897
8.763329
8.158086
7.497055
5.870663
7.904050
7.114597
7.935789
7.659536
7.019623
8.817042
5.614551
5.553880
8.928983
5.021638
6.532304
6.942228
5.370647
6.594806
7.898801
6.141911
7.200537
8.210944
6.545732
8.515519
7.361064
5.355998
8.550554
6.579913
7.000702
6.511551
5.443281
5.982360
5.115390
5.390912
8.377697
5.218787
6.089541
8.108036
5.635182
6.969207
5.509568
8.149052
6.842128
8.924955
8.626850
8.024049
7.271340
7.984130
5.842830
8.474136
7.606067
5.688406
7.594104
8.106937
6.538408
8.777367
# Label of molecule (37)
0.737370
# Number of Instances of molecule (38)
4
10.373460
8.895296
9.492063
10.565479
12.496279
8.916727
11.418946
9.207805
10.337410
8.730476
8.634283
9.948760
9.424427
9.872328
12.572545
10.699859
11.715669
11.171519
11.555770
11.705551
11.831887
9.055248
11.065606
9.664500
9.802656
12.398188
10.535736
9.970741
10.813511
11.678759
12.332225
12.164266
12.020473
11.061115
11.642826
10.662863
9.893902
9.762874
9.177262
12.059847
9.838803
10.037608
12.247828
8.713658
9.143648
12.425778
11.181095
9.873320
11.534728
11.301238
12.170560
8.510200
9.459095
11.346335
9.060065
11.055390
8.186140
12.236028
9.759372
8.457892
10.364069
12.354910
10.981368
8.446908
10.861414
9.178806
10.639858
9.262042
10.078889
9.990369
12.036223
10.028569
9.782772
9.640552
8.558741
9.046120
10.282179
11.512684
8.476250
10.205518
11.292817
9.001678
9.548945
9.403157
9.720454
9.293378
11.862965
8.227463
11.119754
10.020137
10.885847
11.316157
12.015801
9.392029
11.940569
12.180892
11.619591
9.917595
11.417802
11.579607
8.904354
9.594635
8.931563
11.829371
11.727282
8.900459
8.960731
9.226563
12.062044
8.014382
10.032372
10.346122
6.862119
10.759998
7.012931
9.452247
10.549075
9.144306
9.573078
12.245588
7.638906
7.704075
8.247137
10.107430
7.368628
9.574670
10.369474
9.995566
9.346126
9.147551
11.427579
6.455505
7.756500
8.523898
8.837428
11.188621
10.795010
11.949141
8.876250
10.787332
9.187772
7.723921
7.927374
9.383974
8.715635
10.174759
9.092565
6.965213
10.266160
10.344009
8.526657
11.366781
8.910613
10.886894
8.706130
10.677986
9.163041
10.650679
9.458164
7.237704
6.925618
7.192186
7.914080
8.638842
6.950495
8.983474
7.805078
5.912809
6.694449
7.366955
6.575304
6.368389
5.095401
8.860286
5.828333
5.815027
8.483322
5.146550
8.863460
5.100284
5.941130
8.967956
7.412000
6.114231
6.270608
8.896054
8.817316
8.572192
8.558031
5.266671
8.205969
6.945799
8.919126
5.701743
7.526261
7.917997
8.300455
7.589984
5.328806
6.735588
8.208655
8.905698
7.165166
6.836055
7.245125
6.737297
8.476852
5.122013
5.320994
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7.853786
7.260262
8.425459
6.021332
6.533067
7.377819
8.824519
5.433424
8.016144
8.532640
5.565142
6.315043
5.677084
6.331645
8.157872
5.389721
8.239662
8.074129
8.314005
8.598315
6.994263
5.790490
6.614490
6.102878
6.634754
7.557634
6.980834
6.004486
7.585101
5.460768
5.827723
8.144444
5.694296
8.579394
8.768975
5.367992
5.174261
7.371227
5.754112
5.623005
6.652944
5.830531
5.509598
6.270608
6.220923
7.793970
8.158849
5.980682
7.345836
5.769616
8.897397
5.588702
5.527055
6.666372
7.598895
7.289438
7.569353
6.794061
5.223579
7.539811
5.347362
6.513901
5.908658
5.049013
5.939055
8.912046
5.611408
7.229621
5.998749
8.870785
6.183569
8.483322
8.250160
8.914487
7.749657
7.698996
7.969268
8.202429
6.264748
6.336528
7.336192
5.046693
5.127628
6.470687
5.527787
7.327403
7.723167
6.171606
6.428694
7.181036
7.769311
7.596332
7.833399
6.339091
8.344279
7.165654
6.016449
8.487716
6.467513
7.203009
7.544572
5.027650
6.111911
6.407575
6.205298
6.607166
8.518723
8.540574
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6.802240
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6.694937
8.576708
6.322123
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6.528306
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5.830287
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7.729270
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8.345790
8.161824
8.694555
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6.545564
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8.972884
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5.743416
6.822916
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8.145100
8.169271
6.447539
7.156545
5.571413
8.259484
5.762825
5.593997
7.062914
6.845622
6.209738
8.543550
9.194449
8.596164
7.089038
9.181143
6.762246
6.229514
7.270928
8.332972
6.589022
7.422788
7.387143
5.534669
8.319178
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6.200583
7.677923
6.083148
6.846232
8.031327
6.616855
6.902875
7.718207
8.110920
7.111621
7.714911
7.662420
8.742653
8.481292
6.885296
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9.140614
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8.092364
7.028001
5.823740
6.819498
8.450529
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6.439848
7.561220
8.752663
5.632084
5.893445
6.008316
5.703619
8.261681
7.654485
7.217338
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8.369106
7.120655
5.656377
8.280969
6.657506
7.910230
9.336421
8.373012
6.508942
7.958937
8.651341
6.458647
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7.287896
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6.706214
7.762398
6.817911
5.853648
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6.367702
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8.782205
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6.834391
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5.729133
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7.886547
8.451262
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7.820383
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6.035051
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6.099506
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6.675207
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8.538179
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6.448027
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8.659642
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6.510041
6.413114
6.782876
5.788217
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6.582675
6.207663
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5.210562
5.448607
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6.614658
5.256462
8.349086
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6.941694
6.584017
6.690832
5.504761
7.288018
5.737922
8.583224
6.115375
8.534150
8.436003
4.925153
6.178732
8.471282
6.705725
7.495666
6.208884
7.679876
4.871685
5.369015
7.859691
7.103442
7.341731
4.907453
7.270440
7.927076
5.604251
7.744819
5.559694
8.635228
5.812387
8.636937
8.842265
8.124592
8.328089
5.055651
8.144490
5.746712
8.602268
8.399503
7.593326
7.155446
6.766518
8.695288
7.254082
6.832926
7.310236
6.668737
4.990829
8.172079
8.218833
5.056261
7.725898
7.987259
4.947371
5.034410
8.472259
6.330226
8.606662
7.640812
7.515320
8.486297
7.732978
6.062761
6.116962
8.023637
5.020981
8.668798
7.118824
5.774056
6.391507
6.655187
6.818522
5.617679
5.769417
6.187765
8.494964
5.946669
6.949873
6.908002
5.956191
7.684759
5.922620
6.682775
7.486755
5.736091
7.034349
6.471465
8.567232
8.738136
8.361049
7.184744
7.743355
5.995132
5.666631
8.410001
6.017960
6.466094
6.322291
4.880474
8.141804
8.681738
6.561800
6.560335
6.176656
6.466826
7.447935
6.222190
7.709052
5.342647
6.924482
8.392056
5.084582
6.482574
7.329890
7.536317
8.043901
5.098987
7.745918
5.365963
8.128742
8.133869
8.557955
7.133229
5.238884
6.129536
5.600711
6.794473
8.712500
8.154134
5.265862
4.916608
7.302179
6.655919
5.944227
5.199820
8.428556
5.123768
5.179556
5.492798
5.078722
7.426206
5.908704
5.174673
6.730628
5.705084
5.162221
8.780129
8.673681
5.699957
6.600742
7.740547
8.104938
# Label of molecule (38)
0.626334
# Number of Instances of molecule (39)
4
10.630951
8.886670
9.604432
10.656445
12.438801
9.016737
11.394795
9.170381
10.412954
8.802320
8.623026
10.065975
9.332189
9.943495
12.509655
10.472370
11.599444
11.212182
11.538894
11.831799
11.812262
8.879402
10.952513
9.589735
9.763605
12.366437
10.410058
10.120407
11.007957
11.768602
12.440859
12.103870
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11.085236
11.640782
10.922033
10.103068
9.694648
9.255938
11.733636
9.972771
10.285897
12.416805
8.694746
9.207116
12.559909
11.472820
9.971128
11.686105
11.523698
12.502784
8.411831
9.800602
11.628941
9.390082
10.717774
8.417686
12.409674
9.591634
8.401093
10.187026
12.253771
10.641114
8.688464
10.698534
9.274775
10.531413
9.444914
9.986406
9.682784
12.378784
10.156167
9.886966
9.711075
8.191986
8.672695
10.668936
11.195008
8.593148
9.820502
11.480951
9.550987
9.492038
9.048928
9.349090
9.601288
12.069199
8.121569
10.977671
10.039198
11.013440
11.215378
12.543570
9.366879
12.088256
12.655593
11.614132
10.399976
11.437480
11.452669
8.751603
9.258104
8.595243
11.900482
11.607898
9.299821
8.605767
9.559825
11.756734
9.450476
10.762917
11.082074
9.063680
12.463417
9.488924
9.919401
11.548725
11.743822
12.409357
12.201086
9.677680
10.296995
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10.329332
9.043716
12.404746
11.279648
10.886189
9.270806
10.442125
11.977936
8.444248
10.088902
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9.542380
12.401898
10.629845
12.646523
10.062104
11.414037
11.623685
9.928080
10.270810
10.663474
8.903260
10.695388
9.578549
8.994562
9.860985
11.305602
9.456919
8.373020
8.247814
10.592684
8.129359
10.994709
10.469696
9.961430
10.239162
8.556461
6.595175
7.587122
7.986823
5.875936
7.223827
6.832905
7.711127
7.930494
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7.436094
8.542451
8.378628
5.644414
6.390652
6.731605
8.907453
8.363002
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6.153951
9.034288
8.834086
7.360530
8.907697
5.354854
6.255760
5.403806
7.760445
5.874035
5.961684
9.168813
8.376186
6.897504
5.908582
7.813425
5.282830
7.822092
6.094256
6.452300
5.458373
8.200278
5.779183
7.622990
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5.452025
7.388485
8.837626
5.608158
5.601444
7.968825
7.596622
8.196005
5.409909
9.074450
7.237724
5.770882
6.284692
5.957656
6.995895
7.192312
6.334742
6.940352
5.649419
8.243004
6.950484
7.838328
6.126850
9.034776
8.281579
8.317103
6.449614
6.031388
5.988418
7.050829
8.386563
6.563997
7.642399
6.562288
5.192618
7.713080
9.149037
8.616672
7.810617
7.432920
5.568972
7.044969
6.906781
5.793710
8.715186
6.873089
6.119282
8.215415
5.894055
8.629490
7.891430
8.568087
8.174764
6.707801
7.265313
8.016312
6.553255
8.660253
7.013718
7.478576
8.391934
8.293420
5.479736
5.580569
8.507172
7.446226
6.505646
7.974929
7.279229
7.320978
6.819742
7.902905
6.162984
8.244835
6.261010
7.873730
8.969466
6.735389
8.214560
6.336329
7.297174
8.746925
7.631779
7.217582
6.487335
7.969436
6.013077
8.202963
6.476104
8.060381
6.725379
5.634526
5.921522
5.677618
6.030656
7.901685
7.978713
5.195303
5.201407
7.197439
8.097003
5.971450
7.095874
5.518799
6.218162
9.048082
6.569124
8.783425
7.745918
8.153157
6.096820
8.937361
7.664251
7.885327
5.982925
7.932814
6.180074
5.950087
8.529267
7.445372
6.263939
6.328883
5.540651
6.209494
5.463134
8.249718
8.722388
6.197531
7.437437
8.416959
8.439299
7.690497
6.843059
8.426725
7.493591
9.061144
6.832072
7.527528
6.475249
6.967208
8.314417
7.632511
6.847697
5.870006
5.789804
8.687475
8.277795
8.209799
8.705542
7.826731
6.863201
6.509919
9.148549
9.145985
6.634800
6.287744
7.249565
7.967360
6.705725
6.643101
7.673284
7.471984
8.445280
7.402402
6.568026
7.574282
9.050279
5.692999
6.353420
7.913648
5.890637
6.820841
5.717292
8.838603
6.002823
8.328944
6.199484
8.257653
9.107166
6.110248
6.735878
6.232444
6.522736
9.450072
7.539491
7.188650
8.357387
5.872814
6.690832
7.618107
9.343989
6.669713
6.816202
7.148854
5.702155
5.979507
7.225028
6.857097
9.397336
8.300378
6.884320
8.696753
8.172933
9.305048
5.603885
7.920118
5.732185
8.837260
8.806986
8.367153
6.442656
8.961409
7.262261
8.495819
6.938887
7.943068
9.152333
8.030351
6.998825
7.033250
7.851512
7.100757
6.069475
8.932722
6.791177
7.751289
5.814341
8.811502
8.785745
5.688482
9.061022
8.757057
7.193289
6.149190
7.520203
8.528169
6.289331
7.758736
8.655980
7.487487
8.224448
8.257164
6.076556
6.590243
5.943739
7.967238
7.825510
9.300775
7.443175
8.880718
6.945235
6.314844
6.734291
9.234733
8.690161
6.962447
6.897870
7.457823
6.761513
6.162862
6.596591
7.356380
6.942671
5.812143
7.423765
6.418607
6.505890
7.473571
9.464110
7.111499
7.769112
7.247856
8.439177
9.043809
6.175558
5.698981
5.814585
5.872326
7.271416
7.709418
9.243034
8.824686
8.957259
9.138783
6.717322
8.714209
7.388485
9.164052
7.811350
6.322413
6.898114
9.173452
7.726005
8.497147
8.501663
8.934660
7.485275
5.406964
7.600879
8.017273
5.849116
5.368023
6.220710
5.125584
8.689169
5.272073
8.691122
6.719016
5.147679
7.637989
6.165044
8.229682
5.577746
5.207739
5.960570
7.515793
6.129154
6.224982
6.988311
5.680898
8.360668
5.264748
8.638386
7.136387
8.247871
6.496109
6.505997
8.780236
6.967315
8.247383
6.325571
6.168462
5.826655
7.751518
5.492050
6.554460
5.719596
6.947172
5.542955
8.668416
5.478988
6.208380
4.975921
7.116123
7.503098
6.878689
7.777886
5.269387
5.030610
5.486190
5.039155
6.522477
7.439253
8.512528
5.030244
7.792413
5.941893
6.590838
5.112522
5.134983
8.057436
5.010102
8.860927
7.354411
7.229041
5.398053
5.772576
7.478561
7.966369
7.458663
8.936857
7.978088
8.886196
5.639393
8.039125
5.601184
8.026307
5.604358
5.078951
7.701590
8.807703
7.385296
6.171270
5.933226
7.020783
8.088198
8.809412
7.187292
5.209449
7.029939
5.964965
7.646535
6.828761
6.178961
6.397351
5.831538
8.551347
8.775842
8.549883
8.514359
7.096225
5.008515
7.406537
5.373882
6.958159
7.617725
7.685476
6.269906
5.407941
6.305918
6.742088
5.006684
5.142674
7.827448
8.559160
7.466720
6.959624
6.631611
8.197211
7.984191
8.826991
8.937834
8.081851
7.837336
7.729789
7.112094
5.500229
7.731986
6.663594
7.227332
8.685751
8.152776
7.151402
6.674093
8.861538
5.456404
5.658803
8.704672
5.620960
5.582018
6.283944
6.779077
5.019868
7.254067
8.093692
5.592639
7.752495
8.551714
7.485275
7.657399
6.790307
8.721152
5.945555
8.313059
7.856502
7.104648
7.583544
8.043031
# Label of molecule (39)
0.788733
# Number of Instances of molecule (40)
5
10.670454
9.059029
9.621935
10.478018
12.299546
8.886611
11.199687
9.362631
10.320535
8.656718
8.690315
10.063415
9.561709
9.825389
12.458297
10.677116
11.677658
10.957735
11.501447
11.838620
11.826532
8.872606
10.936431
9.549321
9.695440
12.285183
10.399665
9.967499
10.994693
11.662414
12.468158
11.941070
12.232153
11.189443
11.625081
10.723192
9.957101
9.944515
9.092585
11.747417
9.937240
10.361022
12.532341
8.804337
9.209278
12.623188
11.566774
10.153869
11.694269
11.758303
12.140607
8.577336
9.507279
11.208988
9.183041
11.082444
8.543646
12.072583
9.771205
8.686320
10.104905
11.955769
10.964943
8.847148
10.927970
9.376014
10.260753
9.247409
10.093883
9.695245
12.215195
9.794174
9.714921
9.896412
8.232090
9.061972
10.663209
10.974803
8.694649
9.674504
11.806226
9.374004
9.621829
8.986559
9.666722
9.325599
12.256642
8.566895
11.162435
10.147146
11.421522
11.462682
12.445319
9.218020
11.738269
12.350727
11.575212
9.907623
10.962453
11.823649
8.939960
9.152629
8.606782
12.315752
11.324983
9.180129
8.654995
9.552839
11.393768
9.089324
10.721657
11.452411
9.189358
12.420415
9.350845
10.369771
11.768300
11.931906
12.399387
12.390333
10.223476
10.012410
8.539524
10.343977
9.234156
12.610444
11.155619
11.048761
9.426829
10.321724
11.526359
8.813828
10.494102
9.008611
9.356271
12.246992
11.109793
12.790768
10.582878
11.953543
11.664225
9.908357
10.100312
10.296464
8.370044
10.597081
9.493857
9.078913
11.743593
11.492246
10.064251
11.024579
8.415072
12.673500
10.817554
11.582557
10.887854
10.571842
10.569260
7.227372
6.575121
6.798452
7.482122
6.063962
9.516241
6.544235
6.447462
6.341502
7.220801
8.014527
7.886349
7.255837
8.901639
7.449080
6.162420
8.113529
6.144230
7.306986
5.254921
8.570208
6.509842
8.153447
5.822565
8.853175
6.069765
6.308786
9.144200
7.571520
5.951842
7.654653
7.239723
9.112094
5.754570
7.963012
8.045167
7.995727
5.701834
6.124821
6.517899
7.571520
7.416730
6.651204
6.546220
8.419568
9.186193
5.823420
8.538469
7.840815
5.593677
5.866024
7.567370
5.808161
7.393658
7.519150
8.943632
6.752892
7.502670
5.382733
6.094302
8.561907
8.984161
8.411756
7.621326
8.161748
8.898953
5.931333
6.413282
7.062716
5.898495
5.554247
5.689261
6.239204
5.435835
7.368267
6.845058
5.721488
6.467605
8.774560
5.980041
6.272164
7.524400
8.348033
7.979369
8.525163
8.022095
7.096896
9.024445
6.958953
6.691855
7.495468
8.409436
6.082461
9.001129
8.664937
8.536637
8.206061
5.441816
6.077944
7.966430
8.172491
8.562151
6.162053
6.398022
8.425794
6.613239
8.176153
6.453566
5.789727
5.690359
7.734855
7.142308
7.332499
6.239937
6.357006
5.880428
6.692465
5.808405
5.413251
7.939085
6.239814
5.909848
8.845241
8.197882
8.448988
6.884487
9.034333
8.078494
5.857234
8.624653
8.194586
8.531755
8.984283
9.043245
5.662282
5.955748
5.586962
6.158757
7.460799
7.917722
6.627033
7.673818
8.512101
7.555651
8.321543
5.919004
7.872921
5.535447
5.657155
6.040590
7.369610
6.436476
6.739219
5.304117
6.004944
6.442946
7.351665
7.391339
8.515152
7.214576
7.102634
5.563524
8.448378
8.811426
6.532060
6.567339
8.143803
8.548967
6.554277
9.157506
7.982910
6.658406
5.611377
5.918775
8.207419
8.909101
5.543519
8.377468
6.434172
6.175253
8.535676
8.434233
8.269189
7.190664
8.216819
9.296808
6.149373
7.447020
8.770791
6.081256
7.598025
5.543275
7.674566
6.675756
5.518738
8.528596
8.363918
5.532533
5.826731
6.862651
9.171804
7.265007
7.789315
6.868267
6.916242
6.925031
6.453093
6.551607
7.511353
7.833995
8.533235
6.663671
5.975906
7.844371
7.136219
6.879864
8.216819
6.905499
6.695776
6.971175
8.959639
6.809305
7.493774
6.842998
6.203452
7.990493
9.141652
9.315729
6.574313
6.256188
6.398892
7.522340
5.950880
6.321497
8.701575
8.799600
7.739998
7.023057
8.777017
8.943892
7.174306
7.088366
7.719489
8.712195
8.010147
6.334315
5.902295
6.437590
7.996719
7.171255
7.099719
6.639256
7.495117
7.285028
9.195608
6.497528
5.620426
8.375759
8.853191
8.072649
6.282678
7.824839
5.519959
6.140095
6.499847
6.167196
8.144673
7.518677
9.361141
9.243339
5.978591
7.764657
6.012040
5.905103
6.839702
9.108936
9.039842
8.153340
8.211203
5.511536
5.629704
6.577242
8.551546
6.708106
8.872478
7.976089
8.190939
7.122913
7.592654
8.033952
7.187490
7.524903
9.077807
5.925001
5.521180
7.300897
7.079211
5.723090
8.996628
7.220206
9.462218
7.490844
6.232994
8.567537
5.878979
8.924116
8.115619
8.516999
5.841136
8.425199
7.081286
5.624088
7.564333
6.481903
7.616703
7.309565
7.961684
8.225242
9.341853
9.210501
6.161702
8.042253
6.053911
6.273278
6.923322
7.118397
6.108478
9.464537
8.324732
8.785073
5.510071
7.973403
8.100848
6.546113
7.089953
6.781228
9.004685
5.659612
9.143727
8.543336
8.300409
5.566805
8.017685
8.513062
7.629978
7.844707
5.402249
5.644566
6.280084
6.520692
7.139241
5.746864
6.130909
6.187429
5.552522
8.235466
7.757302
8.360347
6.641301
7.418180
6.707587
5.116596
7.104083
5.458525
6.868358
7.103961
5.387600
5.895917
6.289972
5.788736
5.133930
6.593081
8.848643
7.823954
7.399747
4.990249
5.118183
5.406766
6.025681
6.538514
7.829447
8.506226
6.528504
5.186544
5.288965
6.829661
6.890942
6.799509
6.135060
7.409635
8.626347
8.379879
6.803415
7.681005
8.490967
7.970077
7.079669
5.925581
7.219199
6.108936
5.112690
4.959365
5.658727
5.717811
5.263695
6.936842
8.677984
7.291589
6.166066
7.147053
7.221519
6.268731
6.371395
8.677496
6.890820
5.457793
6.956740
5.819498
5.421293
5.391018
8.467284
6.091845
7.434782
5.485137
5.569735
6.755074
6.838206
6.879955
8.792978
7.694311
5.247703
5.832560
8.727790
8.543825
8.810923
8.541749
8.064318
7.928327
7.800516
8.275140
8.839122
8.697272
5.359645
7.678442
8.268426
7.025712
7.768166
7.137654
6.543275
5.257836
6.607852
6.071825
7.959700
6.366756
5.202292
6.030198
6.759468
5.908002
7.703589
6.468566
7.057817
7.338710
7.203085
6.081591
8.231925
8.579958
7.241539
8.563601
5.143818
5.695471
5.090716
5.674230
6.577456
5.564119
7.185385
8.484985
5.257469
5.417142
5.077410
7.678320
6.832835
7.120075
6.289239
5.778359
7.193564
8.069567
8.439817
6.185720
5.500519
8.584353
7.019608
5.891278
6.299249
5.662511
5.189474
8.745735
6.096484
4.980728
7.977157
6.157521
5.771035
5.011002
5.246727
6.097583
8.196890
5.756966
6.926923
8.068804
7.586612
5.882458
6.460112
5.732429
7.155080
8.797830
6.600620
5.385495
8.508515
7.473449
8.771584
6.578890
7.569765
7.654118
8.792825
5.820200
8.162435
9.065050
8.644383
6.010392
8.894757
9.048326
9.065172
8.998154
5.817637
5.504151
6.363308
7.126270
9.230583
6.011002
6.812540
7.645329
7.011032
8.001053
6.008072
5.869274
8.842998
8.865215
6.560457
8.948592
7.717841
6.862712
5.499023
6.134907
9.085070
7.710639
8.761818
7.414121
8.024613
5.727790
8.145466
6.380398
8.819437
6.408475
6.093036
9.227897
7.300226
7.300958
7.690985
5.734504
6.339503
8.065386
9.252312
8.113727
8.868511
6.586825
6.861492
5.606815
6.792154
8.017899
6.254906
8.694189
6.179342
7.625309
5.411740
6.797159
7.098926
6.317164
7.231620
9.348628
6.481475
7.724677
5.672246
6.104389
6.378079
7.712836
6.724281
8.573214
7.993362
9.197012
7.595767
8.436857
5.866466
9.137806
7.483459
6.840129
6.575838
6.592074
9.304682
6.420682
6.341823
6.692297
5.765023
7.957350
7.903760
5.431883
9.137684
7.510071
7.043992
6.128681
6.127216
7.927320
9.137440
8.445036
9.196524
8.595676
6.097064
8.835429
5.727180
7.306696
6.095233
9.300775
8.393277
6.115131
6.431547
9.321162
8.118488
7.065844
5.925184
5.843760
8.996689
5.661382
7.205741
8.200156
6.546785
7.948073
9.276727
8.828593
8.679418
7.092944
8.727882
8.675756
8.748390
9.328974
5.971938
6.153462
6.064837
9.142323
6.877972
8.524995
7.245659
7.575869
8.179403
6.595492
7.773873
5.526124
9.030015
7.583193
7.144459
5.906995
9.083728
7.044115
8.971786
# Label of molecule (40)
0.823558
# Number of Instances of molecule (41)
5
10.508021
8.992798
9.629960
10.614729
12.423805
8.940301
11.430803
9.316903
10.397077
8.918699
8.616741
9.917096
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6.424284
8.048112
7.657842
7.425047
9.107837
8.685827
# Label of molecule (41)
0.677777
# Number of Instances of molecule (42)
4
10.490735
9.120751
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8.065813
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7.030015
5.578677
9.115772
6.722633
7.552248
9.297296
7.205191
7.727302
7.296136
8.144185
8.394070
8.227195
7.992813
9.053148
6.880963
8.336940
7.854015
8.068743
6.583712
5.352962
9.179617
6.751930
7.616825
9.108936
8.299463
7.203238
6.043046
8.134053
7.228507
5.577822
9.273614
5.494201
8.405423
5.968093
7.491089
9.185354
7.893933
6.527680
7.471679
7.956069
8.419095
7.713263
9.179861
5.437803
7.614994
6.518891
7.512452
7.452269
6.858501
6.576754
7.565676
7.373409
8.063005
8.000381
7.800546
8.421171
7.809702
6.844951
7.481689
7.757820
8.187887
8.060686
8.765053
9.265313
5.723212
5.811350
5.808786
5.876293
5.765206
7.037950
7.282342
6.335902
7.711676
8.136372
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7.267449
8.443510
8.629673
8.597201
5.417539
5.345759
7.706183
5.995315
6.957503
6.290124
7.500855
7.744758
8.921186
7.834239
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5.767769
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8.401517
9.252007
5.336726
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6.101886
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5.566469
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8.371120
8.114643
5.427915
6.252770
9.222098
8.695715
9.183645
8.754555
6.356899
9.126759
8.093158
8.361354
7.948622
9.032640
7.591922
7.722175
6.610691
5.284600
8.129658
8.420804
8.614170
7.828257
8.633213
5.627384
7.188711
8.877972
6.992660
6.305872
7.287103
5.354305
7.945326
5.848949
7.183706
8.438139
6.733253
8.020157
8.284082
8.116596
6.909894
7.073595
6.521943
6.597385
8.669103
8.929853
8.715491
8.464019
6.073687
6.280480
7.260125
5.448790
5.556825
8.498199
8.533235
7.698248
8.071551
9.225761
8.382351
7.405026
7.264275
8.520173
6.077471
6.682836
6.046831
8.426664
6.096515
7.557985
7.941542
6.856548
7.123524
7.953017
5.574526
8.646153
7.631718
5.538026
6.693579
6.668554
7.428343
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6.534761
8.873821
5.751900
9.152028
8.778115
9.002731
7.774056
5.826853
7.467650
7.850841
6.145955
5.771432
8.534089
6.193686
6.048051
7.901502
8.503327
5.871654
8.876019
5.995315
6.680761
9.211600
7.422971
8.689856
8.923627
5.314875
5.583682
8.529817
6.371548
7.088855
8.957808
6.948714
6.515717
8.894452
6.725318
8.052995
7.976577
8.685949
7.173330
8.086444
8.369167
8.519074
7.242546
5.449400
8.628819
5.299738
6.475188
6.147542
7.172353
5.651677
5.734931
5.544984
7.271355
8.774331
9.075243
5.297540
7.009873
7.169179
9.131642
6.340663
7.204337
9.108570
6.412564
8.806803
6.659032
8.720740
6.863018
7.747078
8.131855
7.567263
8.077044
# Label of molecule (42)
0.701574
# Number of Instances of molecule (43)
4
10.571643
8.981302
9.574679
10.762128
12.343145
8.956906
11.263567
9.260613
10.443085
8.850159
8.523812
9.955137
9.597246
9.856953
12.532107
10.692158
11.774749
10.973009
11.657782
11.745619
11.769095
9.031190
10.963248
9.770638
9.651572
12.260114
10.590755
10.086907
10.972403
11.771378
12.452435
11.924934
11.974466
11.326068
11.658672
10.809257
10.015115
9.697385
9.130364
11.826157
10.186642
10.336640
12.709268
8.912373
9.264666
12.504622
11.532586
10.036804
11.691140
11.740835
12.577709
8.408171
9.762245
11.482337
9.254609
10.949704
8.382954
12.394081
9.584286
8.693715
10.417255
12.362459
10.946261
8.757355
10.992193
9.484738
10.095945
9.069693
10.308664
9.969357
11.727682
9.866765
9.745932
9.636817
8.149341
8.769419
10.591190
11.382722
8.415666
10.198194
11.603126
9.335324
9.559357
9.057480
9.547064
9.529021
12.106760
8.362298
10.986476
10.121065
10.890169
11.683350
12.636413
9.201466
11.631193
12.125625
11.672771
10.163366
11.218817
12.052916
9.064652
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8.696154
12.134004
11.673933
6.996794
6.915319
8.297367
8.704984
7.613957
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11.265944
8.239317
10.276388
7.085327
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10.067698
10.903622
11.794460
10.537561
8.269998
8.334843
6.794702
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9.025527
10.088258
11.047209
9.751045
8.794945
8.322354
10.634561
7.328631
10.323612
8.815796
7.898417
12.693255
10.596976
11.839599
7.715431
10.391162
10.938940
8.670506
9.272012
10.055589
7.241465
10.709631
9.485406
7.527872
9.155485
10.212521
9.145980
8.944971
6.491346
9.974332
10.706148
11.320577
8.357342
9.613609
8.872754
8.491491
8.895874
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8.863488
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7.677236
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5.930845
6.350902
6.431715
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6.452834
6.035096
5.455367
9.013703
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6.345164
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5.413862
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8.246834
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6.399121
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8.921415
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7.470199
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5.871029
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5.543260
6.724082
5.947081
5.471847
7.433943
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7.151830
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7.463729
5.306314
8.886502
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7.003265
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5.584399
8.953154
7.921384
5.628712
6.593219
7.787835
8.031617
5.402875
7.835566
8.010865
5.312662
6.376293
8.682516
8.679220
5.277261
6.233955
7.411481
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7.863765
6.909391
6.626179
7.152684
8.226814
6.001648
6.011414
8.166753
7.801752
7.998047
5.800104
6.706992
6.016541
6.174993
6.324534
8.664937
9.027863
8.056154
7.030732
6.215766
5.854793
7.296854
6.326365
8.623310
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6.876308
5.641896
8.036134
8.943266
8.467788
7.076022
6.150822
5.844661
8.863796
8.002441
5.618580
7.899411
6.331126
6.013001
8.067141
5.650685
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5.571703
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5.677786
5.557054
7.754143
6.761193
9.018830
6.931608
6.447951
7.494858
7.992676
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8.390149
8.551775
5.794488
8.996124
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7.640492
5.239051
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5.545579
7.028169
5.164098
5.484909
6.970428
7.915525
8.687277
8.362438
6.997894
7.146336
5.920835
7.954344
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5.848888
6.316065
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9.065661
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6.678137
5.529176
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6.480010
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7.472594
6.284204
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6.341212
8.630345
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8.716163
7.167653
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5.527345
5.762825
9.358516
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7.203177
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7.115040
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6.906293
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5.379635
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6.078143
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8.725562
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6.177999
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6.210837
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6.688269
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7.696722
5.529908
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5.458495
7.736641
5.622074
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6.654942
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5.563723
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6.565706
5.326655
7.811960
8.638646
8.695288
6.154561
8.141438
8.614963
7.943922
8.747291
6.275781
5.596927
6.547273
9.073962
9.228507
8.231895
8.663305
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8.730079
7.037278
5.983047
9.265130
8.116291
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8.740455
6.451811
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6.072893
6.494537
7.844554
6.468413
8.710425
9.061022
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7.543275
7.966262
5.916761
8.868633
5.840831
8.800882
8.486908
6.903485
5.373287
6.845866
7.308527
8.866314
5.301141
8.348231
8.761330
7.667913
7.432798
5.817759
8.803079
8.524140
7.724311
5.725715
9.168813
6.866375
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8.973739
5.874157
7.465026
7.040086
6.512360
8.898419
6.137837
7.099414
6.484649
5.921522
5.418821
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8.993515
5.564455
6.904584
8.773659
9.004257
6.269189
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8.439909
8.837260
8.468230
5.553713
6.186666
8.075274
7.600284
7.380306
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6.136494
7.707221
8.031571
6.165181
8.716163
7.743965
5.317255
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8.406217
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7.923536
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8.371181
6.326319
8.068560
6.924970
7.953444
6.589999
8.775613
6.591098
7.081957
6.315332
5.638554
8.620945
8.362636
# Label of molecule (43)
0.650880
# Number of Instances of molecule (44)
3
10.636249
9.142636
9.695210
10.484387
12.499130
9.122872
11.450988
9.299330
10.393411
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12.476230
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12.119362
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10.090904
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12.671430
8.932785
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12.514693
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12.338228
10.778761
8.794470
10.776774
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10.467752
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10.159626
9.958842
12.103029
9.908708
9.654855
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8.217713
8.887360
10.611720
11.368872
8.485182
9.852411
11.897888
9.293524
9.620084
9.019420
9.470070
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12.255638
8.314289
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10.191543
10.942272
11.611462
12.584908
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12.376007
11.429765
10.349457
11.484951
12.086126
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12.438618
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12.034365
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10.385317
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6.553154
9.355654
8.565083
11.210550
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8.031205
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4.926862
6.641514
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4.911359
7.137135
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5.038560
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7.798654
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7.563906
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4.780374
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4.793313
8.163045
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6.502594
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7.660710
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8.527558
5.690313
6.141743
8.410245
4.834452
7.682318
4.976547
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4.968368
7.050462
8.135823
7.544374
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5.540407
5.028306
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5.403073
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7.811228
7.169362
7.008347
5.277215
5.578127
7.837107
4.806619
8.567965
4.943098
5.584109
4.903668
4.925398
5.194449
5.497436
8.485076
6.650426
6.346583
6.992721
7.692083
8.591647
5.918348
7.953932
7.147145
7.609928
4.798196
7.241264
7.502380
6.597812
5.570193
5.440672
5.385739
5.928358
8.674535
5.730354
6.121845
7.207572
5.780770
6.739296
7.600162
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7.747017
5.844783
6.523392
4.771996
5.402753
6.144230
8.466445
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8.741966
5.886288
6.218085
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6.599689
5.060823
6.816126
7.491317
6.166204
6.810022
7.192602
5.794610
5.525193
7.815058
6.523026
8.609638
6.062563
7.986450
6.786584
6.906827
7.021821
6.335520
6.911832
7.861934
6.584429
7.899045
5.884091
4.760277
7.847530
8.594134
8.187750
5.521043
6.074770
6.878262
6.960540
7.711295
7.597522
5.088656
6.232978
5.929136
8.736961
5.336222
5.629444
7.428083
5.126499
6.829066
4.904202
5.858089
7.807245
5.501022
7.689566
5.000275
8.470717
6.820154
5.828791
6.367748
6.226508
8.651021
7.671377
8.548601
6.268380
5.047151
7.702261
8.166387
6.812098
7.848872
4.884182
6.333323
8.683615
4.959380
7.084445
6.469436
7.929685
8.176885
4.963042
7.364849
5.826838
5.455245
8.697287
5.358928
8.664937
6.470412
6.915860
5.512009
7.677236
8.365856
5.220862
7.643422
7.495956
6.552690
7.669424
7.112278
5.504440
5.439985
6.590899
8.216071
6.464675
5.969054
8.117069
6.080264
6.790735
4.828272
6.795251
6.915738
4.848659
6.221503
8.665426
6.518021
7.652333
5.067537
8.170782
4.884793
6.333689
6.503006
6.280953
4.823878
6.761803
8.565447
7.200415
8.429945
7.684683
4.931425
5.037263
7.301981
4.769677
6.584063
5.809992
8.380016
4.917997
7.284768
8.161992
7.271340
5.226478
7.725455
8.165166
6.946623
4.973785
7.234962
7.582751
5.675832
5.004425
5.915098
6.968108
8.083132
6.886929
6.081973
6.975188
7.192846
6.219428
7.886593
7.254494
7.343608
8.459731
7.989380
6.309519
7.843501
5.652882
8.166021
7.690298
# Label of molecule (44)
0.711025
# Number of Instances of molecule (45)
3
10.423513
9.067612
9.688185
10.541286
12.374319
8.906108
11.395029
9.164718
10.336518
8.883751
8.622069
9.937299
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9.739586
12.764695
10.623815
11.726446
10.935510
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11.781918
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9.049058
10.916147
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12.243201
10.431868
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10.827935
11.839594
12.279052
11.972065
12.173530
11.232690
11.472154
10.947435
10.024406
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11.995304
9.942535
10.274313
12.326958
8.766057
8.957991
12.647818
11.434984
10.086789
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11.746433
12.169082
8.134932
9.653947
11.422924
9.042055
11.025003
8.278358
12.139061
9.641860
8.597685
10.008194
12.573933
10.909114
8.549825
10.696141
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10.310837
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10.283510
10.185391
12.346445
10.062756
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10.120187
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12.595832
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10.392493
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10.154555
11.635945
12.081199
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12.696165
9.864536
9.961597
8.546705
10.451693
8.981926
12.851439
11.287032
10.875458
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10.110820
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7.336919
9.557154
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7.440456
11.786097
10.023023
9.708017
8.921139
10.482794
10.305031
9.213163
8.328338
8.816400
6.471278
10.870053
7.104637
9.015462
11.842222
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10.807956
6.545078
11.303011
8.230219
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9.419909
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9.844353
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8.388200
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6.233421
5.790902
5.694220
6.331568
8.741676
8.189291
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6.417264
6.763955
5.552248
6.020524
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6.548860
5.553591
8.546480
6.915326
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5.329218
5.703986
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6.271752
8.300378
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5.982559
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8.427824
8.700537
8.559542
6.798379
6.842448
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6.814982
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5.269280
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6.595737
7.838084
6.722327
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6.029191
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6.385403
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5.741707
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6.476836
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6.613926
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7.443907
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6.138203
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6.974654
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6.844401
4.944929
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7.827982
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6.253594
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8.286126
6.534974
5.993698
7.795022
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7.598727
6.820627
6.590762
6.942946
7.360561
8.357418
6.644353
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5.747841
8.251701
6.391659
8.354366
8.209098
6.596622
7.009110
7.518769
6.510193
8.319697
6.767769
8.174551
5.482818
5.916791
5.277490
8.848399
6.356990
6.053392
5.253563
6.400815
6.056200
7.907453
6.182302
6.819285
5.827433
7.129963
6.260063
5.814737
8.582522
5.297632
6.980911
6.099414
6.325251
6.733222
8.746956
8.217277
9.040178
6.566469
7.877667
5.805826
8.416013
7.914289
7.393399
6.162404
7.780862
8.051622
7.945418
6.988723
7.623508
7.450041
7.271325
6.192068
6.075121
5.558870
6.547670
7.615329
7.727271
5.202902
8.016587
7.570650
8.160390
5.472198
6.260308
9.055071
7.558809
8.980239
5.500275
8.518677
8.786752
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5.293359
6.063646
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6.893139
7.002029
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6.264336
6.095752
7.413175
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8.274285
7.217002
7.880474
6.694769
9.011002
5.445830
5.364040
5.146870
8.254265
5.749428
5.745643
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7.597262
7.200400
5.790201
6.523377
6.248466
8.671148
8.131703
7.023026
8.295282
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6.540834
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6.903760
5.666906
8.014023
8.124134
6.306330
6.175832
7.151692
5.796426
5.970382
# Label of molecule (45)
0.704173
# Number of Instances of molecule (46)
4
10.422248
9.086305
9.461392
10.557014
12.409417
9.105100
11.207384
9.198571
10.308316
8.927960
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12.655666
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11.682943
11.213214
11.528102
11.620908
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9.575478
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12.121073
10.393352
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12.324072
12.259197
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11.384525
10.639068
10.013005
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10.306429
12.444340
8.906408
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11.623522
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11.977613
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12.450251
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7.729853
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8.727772
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6.345339
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8.695508
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6.389340
7.927595
7.040849
7.019364
7.042192
5.306055
7.051714
5.188498
6.358455
6.095264
5.642247
6.175222
6.638249
5.893719
7.720313
5.058123
7.854350
8.626347
5.486114
7.434050
5.233299
7.182455
7.244713
8.176138
7.267541
6.890454
7.334315
7.967635
7.030107
7.202841
5.048479
5.982345
5.671300
6.966628
6.424497
5.089862
8.968886
8.655766
8.773934
7.957747
7.806864
6.938795
5.830241
8.428709
7.462127
8.957778
5.390164
8.545167
8.566897
7.693091
5.319727
5.597568
8.629154
7.789041
7.804300
7.571749
6.980422
5.214988
5.715247
5.368191
6.029832
8.139393
8.969131
8.171377
7.696997
8.386105
8.752937
6.341365
5.899701
6.855907
7.493133
8.205191
5.971480
6.280450
8.441282
7.119709
7.883770
6.689276
8.750618
5.184713
8.147694
8.962050
5.921674
5.978927
5.270775
5.841105
5.489532
6.693304
7.643284
5.781533
7.827372
6.039964
8.728645
5.010392
5.942671
6.307550
8.434202
5.173116
8.141957
5.940962
5.537141
7.940657
5.435209
5.019791
8.038682
7.951399
5.559847
8.009262
6.324030
7.466399
5.495392
6.159963
8.001938
6.107837
8.345820
7.932356
7.298181
5.060686
8.463622
7.817118
7.880230
7.108600
6.692694
5.931074
7.984603
7.881695
7.601291
8.761238
6.725654
7.690283
8.583010
7.430754
# Label of molecule (46)
0.733378
# Number of Instances of molecule (47)
5
10.319454
8.816019
9.827866
10.523912
12.678214
9.082801
11.277888
9.163684
10.682381
8.546238
8.678739
9.830440
9.387776
9.704899
12.245056
10.270258
11.463209
11.336590
11.894257
11.932663
12.097225
9.072566
11.078853
9.811118
9.830743
12.003219
10.375393
9.816360
10.909202
11.460845
12.156319
11.976363
11.732491
11.162610
11.281603
11.072188
10.167164
9.712034
8.854424
12.127582
10.221810
9.996834
12.752968
6.762085
7.376102
9.719406
10.310641
9.316874
11.941261
9.393385
12.785596
6.460819
9.882624
9.364583
6.827431
9.614262
6.637003
12.137352
8.989067
8.085207
8.046750
10.975206
9.066566
7.625259
10.734565
6.944273
10.019213
6.676061
8.979892
8.701676
11.117545
8.774165
8.918627
9.143553
7.865943
9.050849
9.720975
7.710868
7.702094
6.134898
10.452185
6.819151
8.795422
7.767529
8.143611
7.528238
8.794934
6.266276
10.168367
8.162907
9.798142
7.798130
8.472528
6.438282
8.469323
11.267921
9.281160
7.251146
9.049590
9.793047
7.697762
7.016245
6.959008
8.657020
7.916877
7.098911
6.687496
7.362323
8.583212
7.302520
9.073918
7.853240
8.576496
11.255205
7.555872
7.185168
10.200302
10.053427
9.770433
11.532823
6.623411
6.202634
7.149985
8.531559
6.102196
9.771978
9.511484
7.017906
6.354158
9.059253
10.527092
6.527032
9.480793
6.965627
7.543805
10.216781
9.691471
11.112415
6.397833
8.341329
7.197540
6.504652
9.609791
7.651377
7.840295
7.763220
8.740701
6.483591
9.980385
8.036852
6.364791
7.445541
8.136361
10.580621
9.928900
10.390877
9.782263
9.735406
9.919260
8.007945
8.146913
7.210019
9.080772
8.193348
9.802195
9.349240
9.013886
6.297006
5.918210
8.890713
8.251167
7.113193
7.036653
7.233802
7.813776
6.032594
5.810053
5.695547
5.717521
6.025269
8.505692
8.049867
6.605976
7.039705
9.141453
5.559923
6.141972
5.991943
8.404736
6.447523
9.298929
7.682180
7.908383
8.977264
6.923734
7.517502
7.156529
6.034913
8.950652
8.913419
8.597125
7.072665
6.635517
8.250435
6.134526
9.295022
6.191290
6.260384
6.479751
7.963805
6.195196
6.717551
6.709494
5.694327
9.144749
9.308573
9.412580
6.618915
7.537767
5.558458
6.796777
7.292764
6.850002
8.685385
7.131870
6.216926
5.786981
6.260018
6.902982
7.853084
8.183905
6.545427
6.051149
7.006378
6.928007
7.390545
5.673086
9.449690
6.281991
6.554460
5.558336
6.665059
6.978057
6.334239
8.936857
8.578448
8.461867
7.373821
7.812067
8.159612
8.659383
8.525956
8.256050
5.766106
7.643117
7.644948
9.039033
7.104038
7.570482
8.184393
8.971404
6.679830
7.271035
6.473403
8.330515
6.620380
7.858089
8.548296
7.749077
6.735618
7.737358
7.413739
5.939329
7.696951
7.389569
5.608997
7.628101
7.208899
6.302377
5.953246
7.077303
7.048006
8.424024
7.346232
6.566668
6.843165
6.517106
8.497391
7.211097
6.473647
5.784539
8.461501
7.489425
8.959563
9.144993
6.852565
6.859645
5.718619
8.530351
8.613117
5.834101
8.066225
8.583453
8.212226
7.891537
6.831812
7.127842
6.149907
6.598773
7.967711
6.786523
8.639851
7.320597
6.025636
6.123539
7.346599
6.887967
7.374432
8.685873
6.054079
8.604083
9.035737
6.315317
7.137120
7.960265
9.011689
7.113071
8.713340
6.438734
5.979614
8.424146
9.349712
8.738990
6.716102
8.575289
5.234123
5.783334
5.957656
8.556368
8.628758
7.926466
5.418088
5.546144
5.225578
8.942366
6.246361
5.270989
7.602481
5.254997
5.518921
5.066027
8.892193
6.940474
8.649510
6.778848
8.547578
8.375210
7.477844
8.759499
6.474395
6.911054
8.914899
8.310633
5.405393
7.945997
5.015122
7.974929
7.392514
8.769997
5.356319
5.031968
8.289758
7.558046
6.596957
5.582278
8.105060
5.887707
8.088580
6.590976
5.093860
7.154836
8.419279
7.268975
7.468688
7.261528
7.760079
5.163930
6.602206
7.954787
6.892376
6.337306
5.597171
5.186392
7.789010
5.003037
7.098193
6.872967
6.625523
6.001358
6.221091
8.428190
8.096637
5.483398
8.474456
8.443571
7.910962
7.183279
6.547273
8.894269
8.342250
5.649052
7.841258
6.240745
5.708258
5.810923
6.617588
5.806284
6.657018
6.260521
8.637425
5.801279
8.129231
7.614566
6.168966
7.371883
5.878918
5.341426
7.237846
5.046373
6.421293
8.423063
4.992660
5.956069
7.286676
7.225883
7.064623
8.203207
8.453215
7.961501
6.793374
6.753578
7.834544
5.104358
8.195273
5.226798
7.698065
5.148061
6.548616
5.960585
8.886212
5.071398
8.472137
8.722755
7.718696
6.890667
5.368404
6.446806
8.449309
7.672430
8.112506
8.367519
6.151509
6.383328
8.854595
6.927046
8.910138
6.949995
5.817392
6.831950
6.191183
6.904218
8.959700
8.632908
8.267785
6.991256
6.381252
5.202017
7.574648
7.111499
5.346919
7.485290
6.868328
7.974929
7.800851
5.901379
5.065905
7.840648
6.249413
7.765938
5.639531
5.717536
7.885205
5.112659
6.440092
8.401212
8.829325
5.289178
7.825144
7.017426
6.285226
8.691305
7.354717
8.391491
8.536393
9.036287
6.817469
5.947569
5.717215
7.224464
7.289773
6.833338
6.216987
9.041047
8.510514
9.212561
6.768761
7.831538
6.057802
5.375896
8.782128
8.891018
8.911527
6.250801
7.103488
8.687277
6.131535
7.683340
8.082766
8.296762
6.530229
8.869900
7.818354
6.424879
9.209998
7.311625
7.457747
7.388531
8.844752
8.667501
8.427625
5.433271
5.577197
7.880734
8.468154
8.762963
7.410260
7.953734
5.347575
8.653462
6.962615
8.746605
9.131504
9.029450
8.469619
8.173345
5.880917
5.875301
6.899136
8.172857
5.656301
7.857906
7.061495
7.826899
5.700491
7.535020
8.584002
8.002564
5.676321
6.524857
8.630757
5.892880
5.834407
8.011597
8.236946
7.830561
8.985137
7.960936
6.137028
6.750206
9.150182
6.423536
5.959899
8.674703
7.769890
6.297189
8.664937
6.598956
8.338878
8.926420
8.097049
6.148137
6.346751
5.912290
5.532395
5.383343
5.399579
8.508927
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5.979431
5.901181
8.212897
6.624348
6.290109
8.853542
7.943602
7.688711
6.513138
5.885189
8.284555
9.081698
6.316721
5.603442
8.014893
6.336985
7.915891
7.160741
7.304300
6.601154
7.859004
8.247444
9.057894
8.512589
8.025513
7.075167
5.409711
7.258522
7.208716
8.228278
5.740165
5.689016
8.661519
8.256844
8.591327
6.358959
8.975249
6.887051
5.855647
5.374920
7.672353
7.724113
5.614063
6.922330
6.882656
6.321848
5.996399
7.347270
8.482192
5.494919
6.440504
7.667226
6.066713
7.747917
8.725120
7.386944
7.137669
8.696310
6.150945
6.494949
6.871914
5.355876
9.245888
8.512589
6.705527
7.813471
6.486404
8.011231
7.916135
8.053346
6.404981
8.936674
6.510453
7.666250
8.384899
6.757653
6.562700
6.529130
6.306223
9.419599
6.872524
5.749199
8.656880
9.209632
5.686453
7.417096
7.903073
7.616443
8.565813
9.540330
8.449477
6.055849
7.779046
9.030549
8.557878
6.339183
7.592273
7.621815
9.602588
6.758629
7.833247
9.592456
8.036988
5.664846
8.104007
6.166204
7.445784
6.412183
9.015900
7.470077
6.057802
7.545030
8.824854
8.919340
9.095492
8.102664
7.838252
8.909085
9.334758
7.915036
6.972015
8.684957
9.251259
8.767113
8.829371
7.267800
8.126957
8.303598
7.678945
6.309397
7.493271
8.552995
8.706809
5.751762
6.284738
6.941862
6.915616
9.166417
7.078951
7.677847
6.048891
7.648183
8.797021
9.373455
7.911985
9.139927
7.239845
6.788171
8.467299
6.059877
6.836879
6.562700
7.078585
8.110477
8.978301
6.819178
9.277627
9.140416
8.310190
8.505387
9.429487
6.937834
6.364696
8.354137
5.672048
8.827418
5.901303
9.336955
9.503342
5.946715
7.334208
6.483108
6.391430
9.078158
6.620319
7.942503
5.785455
8.910184
7.983642
9.163732
8.896756
9.603076
6.849818
8.066164
8.630512
6.534501
8.367931
7.078707
6.040590
9.100253
8.891751
5.919980
5.682669
7.443464
5.797906
6.996918
6.240059
7.990112
7.014496
9.294351
8.799463
8.662740
5.636280
8.632099
7.148045
6.649617
6.999725
8.165532
6.471877
9.604053
9.595264
9.001495
6.824793
7.146825
7.188940
8.807276
5.747734
9.549974
9.532517
6.286569
8.410535
6.474563
9.030793
7.398419
7.652455
8.637959
6.748863
7.191626
6.296579
9.285806
# Label of molecule (47)
0.272080
# Number of Instances of molecule (48)
5
10.347154
8.807331
9.829175
10.842437
12.280217
8.790402
11.422081
9.087632
10.401170
8.735483
8.801628
9.807537
9.486162
9.604138
12.272956
10.666875
11.907898
10.989568
11.671236
11.900164
11.504289
8.919955
10.945317
9.390172
9.939789
12.249068
10.186217
10.198106
10.868010
11.742196
12.400714
11.766772
12.139262
10.947838
11.549591
9.046003
9.850141
9.674621
7.257962
9.948851
10.364448
9.224491
9.410212
7.506860
8.430040
9.821826
9.060085
9.259382
11.605173
9.470488
12.571385
6.317099
8.794968
8.636262
6.894504
8.045251
7.949146
10.773783
7.825067
8.307047
9.551210
11.195863
8.274461
7.444936
7.067960
7.136491
6.643538
6.371458
9.246472
6.758312
11.083131
6.418726
8.879317
8.254442
6.781132
6.390614
7.005348
9.491528
6.013621
8.013258
7.666592
5.708959
6.270279
7.046556
5.836306
6.247951
10.333587
6.386938
8.719587
6.666119
8.155272
8.759672
9.835323
7.534462
7.825611
10.648750
10.125293
7.602496
8.100652
7.471635
7.520867
8.930103
6.867819
8.164429
10.847502
8.159102
6.439879
6.539755
8.788051
8.183610
8.552616
9.143102
6.685896
11.272983
6.027312
6.750884
9.401274
10.592969
10.618168
9.445016
6.430363
6.710546
6.970948
7.428417
7.370965
9.814433
8.977613
9.259292
8.505062
9.387059
8.943069
7.759416
8.563607
5.741516
5.813809
10.145266
7.970430
11.255429
8.223758
8.289843
8.296447
6.034279
9.730861
6.774791
7.492828
7.998506
7.450228
6.624320
8.569246
10.507938
8.663837
10.410042
7.404263
9.506072
6.616779
7.593475
7.534598
6.901784
9.789538
7.506901
6.617447
7.436140
7.551267
5.819156
8.818659
8.680825
7.465056
4.885388
5.352809
7.323328
5.849651
6.095630
5.983688
8.408689
6.612613
8.436644
8.316279
7.081011
8.101062
5.841350
8.592898
5.852092
5.069842
6.223075
8.060289
7.850078
5.778970
7.315760
6.922437
7.906720
5.770425
6.601993
5.659825
6.668157
7.199789
8.700812
5.591952
6.104663
6.597110
7.591769
6.556337
6.793039
7.933210
7.050737
5.579867
5.347316
7.865337
8.669683
6.417417
8.374508
6.036912
6.839671
7.832743
5.326197
7.308313
8.068102
8.496216
8.626347
4.790658
6.007736
8.374874
7.445158
6.561098
5.571688
8.490356
7.498138
6.930860
7.508515
4.917493
7.242393
5.144795
6.814402
6.901929
6.847240
8.384640
8.355464
6.968337
8.312616
5.951460
5.075945
4.896741
7.110797
7.504486
6.168752
5.440825
5.727821
8.227775
8.579348
7.663427
5.476836
5.802652
7.222861
5.763588
6.960646
8.059801
5.286523
7.272668
7.557466
8.185415
7.992538
8.489746
6.305231
6.357479
5.196799
5.037004
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6.687323
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4.799081
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5.370510
7.956771
7.705908
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6.514588
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6.735664
4.838755
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7.171834
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7.700781
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8.359127
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5.484283
5.377590
7.199667
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8.024888
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5.370632
5.732826
7.329920
7.954573
6.718207
5.331324
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6.044115
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8.299554
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4.819102
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7.776681
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7.077563
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8.283898
7.842479
8.804300
7.742988
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5.666997
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6.342921
6.637608
7.989700
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7.075610
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6.019913
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6.993332
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6.755654
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5.739631
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7.593081
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6.062639
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8.969955
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5.709113
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6.211570
8.166463
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8.481170
7.496521
5.920545
8.142293
7.973220
6.937666
8.768532
5.640996
6.550569
7.789499
8.941389
8.357997
8.435881
5.695196
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6.454131
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6.383450
6.401883
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6.499054
8.138752
7.268365
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7.443419
7.419736
8.803690
6.064348
6.313013
8.001785
6.664708
5.837291
6.496170
5.394696
7.544176
5.263344
8.427747
6.139348
7.920164
7.189428
6.187933
7.820063
8.260506
5.845027
5.835871
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7.534410
8.289682
6.891812
5.254433
7.252785
6.743980
6.776940
5.270302
8.514298
6.896207
7.435163
8.952788
5.918882
6.731285
5.007477
8.176275
6.224189
8.259285
5.437788
6.799402
5.617481
6.516678
6.881680
7.568468
5.481613
6.216376
7.796503
6.106754
8.526994
6.421094
5.584887
7.365581
7.165746
7.614612
8.669210
5.910825
6.004578
5.547655
6.868740
5.420698
6.327219
6.231635
6.959319
6.768883
6.446608
6.454787
6.284860
8.069216
5.797418
6.198675
7.300638
6.055849
6.647053
5.326701
5.919736
6.174993
5.297891
6.921720
8.540910
6.761559
6.657308
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6.628742
8.677999
6.049623
5.503220
7.726554
7.787591
8.145512
5.366741
7.770867
5.640309
6.882778
8.664937
7.587634
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6.168279
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8.653340
8.948149
7.399396
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8.035279
5.307047
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6.924772
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8.642720
5.427900
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7.148854
5.973769
6.455840
7.556948
8.121174
6.801553
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8.017411
8.754982
8.669897
5.664312
8.496796
8.847026
5.361690
7.493957
8.174154
8.384854
6.773598
8.146077
8.291223
5.400632
6.120869
8.099567
5.255364
7.606998
5.543458
7.819651
5.920057
8.248253
5.335078
6.075457
7.482971
5.228874
5.978164
5.969008
5.876110
5.887219
5.858165
6.050066
6.523469
5.794198
7.532655
7.891552
5.339595
7.949904
7.429991
5.501099
5.847667
6.753822
5.852794
7.944288
8.287072
7.124073
8.161092
8.552217
8.590182
7.138478
6.009903
8.091510
7.100391
6.576083
5.517090
5.269524
8.907941
5.730232
7.235160
5.951064
7.676946
8.872051
8.803079
8.459685
6.840861
8.734840
7.153249
8.341762
6.038713
6.399686
7.147389
7.965163
6.670202
6.952681
5.517579
6.329493
8.441496
5.290643
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6.462310
6.778481
6.451689
7.444639
7.775338
6.983932
6.842082
5.051012
8.758034
5.008530
8.738746
6.147481
7.380917
6.717933
6.438261
6.845622
8.586032
7.523255
8.431242
5.171133
6.236473
8.257042
5.972915
8.638157
8.904401
5.164052
8.429533
8.126545
8.867290
5.886120
7.770943
8.941389
7.692206
5.311884
8.588595
7.924635
5.780160
5.171255
6.010269
7.498230
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7.245048
7.889721
7.511292
5.511475
8.068316
7.643742
5.766121
8.978866
4.999252
8.112751
8.101276
8.172689
# Label of molecule (48)
0.234233
# Number of Instances of molecule (49)
3
10.347598
9.154441
9.556143
10.246918
12.102634
9.150700
10.987488
9.160405
10.300841
8.669724
8.295621
10.004838
9.214012
10.100893
12.451167
10.507914
11.260381
10.723312
11.880723
11.972908
11.825223
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10.801046
9.700192
9.942068
12.486439
10.425336
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10.686918
11.607634
12.214847
11.885737
12.332463
11.228091
11.555661
10.600797
10.135085
9.530094
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11.371870
9.264460
9.215453
10.774541
7.866752
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11.708870
8.632933
9.758643
10.370461
11.618947
10.987028
8.519971
9.361858
11.606611
9.533323
8.938209
6.885271
12.422040
9.017876
6.368724
7.532307
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6.765283
5.822587
8.039199
6.358885
6.676078
7.679012
7.448403
7.422647
9.113589
8.594001
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8.507520
5.658118
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7.236498
7.697430
7.826088
8.386254
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7.146714
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9.284408
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6.953553
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10.427925
7.650333
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8.043791
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8.889250
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6.506383
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10.853275
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7.927450
10.848542
11.417169
10.451345
6.593775
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5.623396
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7.632327
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10.418363
7.357243
8.263951
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10.229603
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6.558071
7.509532
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10.292799
10.353653
8.603248
10.237182
7.451213
6.882373
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6.107402
8.642828
8.981368
5.835582
7.487994
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7.466356
10.648934
5.493441
10.311651
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10.242029
9.663206
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10.379173
6.141241
5.884508
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6.224738
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7.377606
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5.982788
8.994598
6.671773
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9.118137
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6.160161
5.421979
5.394269
5.354350
8.963225
7.320231
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6.276009
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5.801263
8.319285
6.358654
7.549486
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5.361553
5.986938
7.245277
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8.265938
5.738273
6.963042
8.022767
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6.701682
7.295206
7.316568
6.502945
7.926084
8.355785
7.637257
8.464675
8.661092
7.478683
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7.871395
8.201239
6.507950
7.159948
8.118229
5.313822
7.194372
7.353557
5.676992
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8.556352
7.115268
6.734275
5.349712
5.638783
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6.665181
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6.047243
6.580828
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6.067629
6.627216
9.227027
8.289621
6.043580
6.669820
5.371807
7.147862
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8.014954
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6.732566
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6.944243
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8.663289
6.085086
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7.307291
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6.768090
6.729270
8.645466
8.216254
5.877926
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8.457228
8.841884
8.379589
7.167394
7.598804
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7.644093
6.543352
6.852565
7.048494
6.868923
8.742149
7.717093
7.599658
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9.124241
7.471114
8.927946
6.361950
6.702536
6.886502
6.778588
7.882870
6.587054
6.963408
6.643941
6.435072
7.671926
9.065279
7.648244
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5.439680
6.825709
5.739250
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6.877773
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7.994140
7.037080
8.554094
6.896084
8.686911
5.564135
7.362896
7.919919
6.425733
7.981689
6.571490
8.415296
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6.187078
7.183447
5.774346
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7.393292
6.372387
5.453780
7.819330
5.374676
7.504135
8.513321
7.798456
8.767113
5.117954
5.896054
8.223151
5.297525
6.244942
5.327189
8.478164
6.820032
7.436262
6.703696
6.069765
6.028382
4.878201
7.851680
6.424390
5.726249
4.967925
8.525651
5.084994
7.525742
8.725242
6.525956
6.681967
8.850368
5.414106
5.806940
7.050874
7.118870
8.753075
6.453322
6.875332
7.982421
7.082736
8.398572
7.227149
8.492203
4.872097
6.759850
7.380352
8.072024
6.935270
6.666585
7.273659
6.169378
6.732505
7.454085
6.996185
7.462996
6.134342
8.101566
5.671926
5.497848
8.020508
7.785882
8.117557
5.627369
5.089755
5.427900
5.647511
6.133000
6.256294
8.106571
7.405622
6.400220
8.006104
8.213630
8.591205
5.022980
8.090335
7.227760
7.961303
8.713767
4.928861
5.978820
4.980743
6.892544
8.100345
7.280862
4.995636
8.831446
7.292215
6.805994
6.804163
6.227607
5.087924
6.076479
5.002838
6.082827
4.964629
7.448836
5.479659
8.760155
7.876217
4.964019
6.431471
8.097903
8.797632
6.941862
7.279153
8.451674
6.605548
8.190680
5.856746
7.541246
6.670248
7.709952
# Label of molecule (49)
0.264339
# Number of Instances of molecule (50)
4
10.636311
9.147114
9.635861
10.843156
12.137244
8.989325
11.315655
9.420980
10.231307
8.707590
8.488527
9.745010
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12.285451
10.558739
11.649818
11.290498
11.718129
11.824928
11.960426
8.618682
10.895766
9.341464
10.010371
12.551489
10.272143
9.671561
10.880334
11.376170
12.084378
12.361722
11.955704
11.217292
11.785991
10.683773
9.796923
9.943689
9.086479
11.731769
10.284277
9.939908
12.335024
8.534012
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12.179188
9.364067
7.744520
7.768628
7.444255
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6.395072
8.158339
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6.826041
9.168243
5.876219
7.992636
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7.313785
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8.331071
9.568074
5.465939
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8.448150
7.353444
5.832117
6.650971
8.318371
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9.149873
7.723150
9.371720
5.031135
7.697213
8.509983
8.957917
7.212206
7.865671
7.563755
7.172183
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5.573756
8.567128
7.926797
10.874191
5.350934
9.830630
8.197549
7.444181
10.246240
11.129857
7.794471
9.846951
10.941870
8.633530
7.045049
8.128572
10.473963
8.216686
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5.956322
10.531744
10.169496
7.023330
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6.516529
10.605146
6.278790
8.287833
9.161472
7.946393
9.832516
6.363454
7.051365
7.621568
9.109729
10.163991
8.958181
7.443169
6.751187
6.614877
6.634459
5.769490
10.028778
7.698841
8.655635
6.997945
7.988005
10.123423
6.808631
8.691133
8.035413
5.954368
10.242907
8.547272
9.490947
9.528838
9.353441
10.122780
8.638816
8.069657
7.623930
6.853582
10.190231
6.940291
6.857335
7.580617
10.120836
7.212367
8.470640
6.294875
8.343601
9.858994
9.641616
9.132692
8.177874
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7.658803
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7.354350
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8.303598
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5.874813
6.958464
7.589709
8.448500
7.899289
5.224036
6.486892
8.098514
6.883023
7.823115
6.138127
5.721488
8.718650
5.943175
8.256478
5.711234
7.997925
5.923276
7.940550
5.648732
7.235817
7.932859
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6.368236
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5.643483
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7.459212
8.767113
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6.949797
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6.985321
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9.085849
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8.365612
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5.736015
6.546831
8.224982
8.661031
8.662008
7.101169
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9.044343
6.308420
8.767113
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6.925748
7.754875
6.427931
6.216498
6.645222
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6.490310
7.944090
7.968383
5.237587
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6.933805
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6.952727
9.118076
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5.680715
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6.153752
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8.347423
5.714896
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6.702963
7.627796
7.441877
7.047212
8.043214
7.767205
5.522507
# Label of molecule (50)
0.253859
# Number of Instances of molecule (51)
3
10.324067
8.777360
9.767360
10.326622
12.721997
8.963068
10.995562
9.147697
10.336050
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10.574688
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7.134944
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8.767113
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6.517045
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6.923307
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6.496658
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8.392712
6.944670
5.352214
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6.345653
4.863674
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7.668935
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6.649007
6.201605
6.794519
8.224738
7.092502
5.454756
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6.205756
7.732292
7.474715
5.340617
5.234779
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7.282937
5.131626
5.400800
8.762963
6.670736
7.693594
5.450117
5.947081
6.346751
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6.127384
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6.481643
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7.372417
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5.295694
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5.346965
6.334910
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7.470077
5.375774
5.332072
6.643269
6.383496
6.616169
5.396405
# Label of molecule (51)
0.254846
# Number of Instances of molecule (52)
4
10.756297
8.974335
9.764107
10.539367
12.618774
8.743464
11.006747
9.328250
10.134856
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11.124959
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12.508560
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12.329399
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11.486827
10.516601
9.632710
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10.076927
6.831756
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7.441801
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7.856592
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7.013520
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7.485092
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8.074648
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5.024140
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6.026978
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6.083865
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5.072359
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6.767846
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6.479507
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6.250618
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5.633610
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6.529389
8.364528
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9.259575
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5.667058
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7.994766
6.086138
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6.733497
7.570070
5.334284
7.739509
7.305536
9.188528
6.466155
8.055071
7.286248
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6.343593
6.328700
6.296960
7.353267
7.173086
6.535249
6.449553
9.312677
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6.113605
5.755196
6.237877
7.367916
7.616459
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6.662206
6.383633
6.459563
5.479431
9.273614
8.614292
6.831523
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6.194906
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5.650090
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6.408170
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7.466674
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9.120533
9.241508
6.557344
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8.415677
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7.202383
6.837870
7.292962
6.468230
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7.440184
8.855754
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6.625828
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8.157613
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8.447417
6.502045
6.927717
7.959731
6.649388
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9.221488
7.746590
5.976394
6.209189
8.800333
6.670995
6.956771
5.995315
8.582675
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8.794229
5.752632
6.062456
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6.159261
6.283166
6.065508
5.612491
8.252953
6.527436
8.214988
7.959853
6.518525
5.465026
6.484222
6.057695
# Label of molecule (52)
0.245988
# Number of Instances of molecule (53)
4
10.328565
8.823747
9.649329
10.771878
12.096779
9.138312
10.959361
9.461550
10.446784
8.929876
8.511210
9.869710
9.357261
9.772578
12.270090
10.676255
11.591235
10.726757
11.489976
11.674997
11.503470
8.882435
11.118386
9.632182
9.868894
12.447275
10.654574
10.004823
10.575191
11.326283
12.195906
12.077938
12.151751
11.144564
11.361711
11.006862
10.175728
9.858470
9.151314
11.624575
9.826606
10.008707
11.482225
8.063058
8.764382
12.447010
8.794103
10.024098
11.192979
11.537612
11.126684
8.167408
7.885428
9.724410
6.714307
8.211479
7.806120
11.314908
8.316266
6.274605
8.536924
12.186349
8.512691
8.210602
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7.245113
9.445687
7.123417
6.699677
6.957997
8.356054
7.742256
7.461703
8.792490
4.957952
8.109082
8.838494
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6.327799
8.572573
10.822192
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8.658642
8.340273
6.168784
9.313473
4.941500
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10.107040
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8.345096
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6.797601
8.719294
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8.566050
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6.197245
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7.654554
5.606349
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7.887207
9.168846
7.581643
7.503406
8.373118
6.846854
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9.974047
10.685322
6.962930
7.615759
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6.534882
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6.184081
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7.116058
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10.077199
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7.246071
5.404584
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7.214087
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7.358867
6.654622
5.132481
9.038606
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6.445143
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6.508011
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5.047517
5.525193
7.319926
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7.078463
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5.378826
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8.588153
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6.554765
6.705039
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7.265236
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5.908628
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5.165319
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6.441237
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7.301248
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5.355266
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8.599994
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8.327403
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6.025651
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5.813364
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6.961333
5.488388
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7.534349
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5.957884
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6.382336
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7.376873
9.097751
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6.515763
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8.351634
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6.966338
9.254250
6.907620
7.576342
7.562548
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6.153691
7.892880
6.894803
5.635975
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7.415326
6.404675
8.119572
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7.309854
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9.055269
8.460891
6.514542
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8.122623
7.568773
6.311899
8.685507
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5.626453
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8.129704
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6.505020
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6.619770
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6.183477
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9.262917
7.850520
8.748375
7.667409
9.288675
7.714042
6.407727
6.984039
8.319163
# Label of molecule (53)
0.279469
# Number of Instances of molecule (54)
3
10.540665
8.765445
9.530752
10.433509
12.669475
9.109250
11.325600
9.428637
10.239811
8.861903
8.321388
9.930655
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12.880479
10.795171
11.435986
11.270747
11.710576
11.947864
12.034433
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10.883279
9.855948
9.613443
12.147092
10.342832
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10.913739
11.346163
12.097704
11.814392
12.103409
10.951653
11.741353
11.003084
9.970202
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12.096132
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10.132225
12.518530
8.828264
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12.323576
11.127057
10.059111
11.786530
11.456538
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6.840329
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7.348514
9.557472
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11.821153
7.131024
6.451573
10.386538
10.666478
10.691986
8.017086
9.622776
6.916404
9.300025
7.568995
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9.822074
10.820216
7.470857
6.379839
6.391763
7.893466
5.909779
8.692406
9.604906
5.610500
6.462558
9.253720
6.461069
6.662844
7.168690
8.656804
5.905767
8.270464
7.526459
8.662759
8.023818
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9.185252
9.634268
8.268900
10.874431
8.795474
7.901025
8.363633
7.482940
9.634473
5.416539
6.029586
8.246261
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7.383079
8.090178
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7.254538
8.558375
5.622565
7.219459
9.458906
7.581233
9.927248
7.777653
6.868878
10.593742
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6.900021
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5.425367
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6.028504
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6.410230
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6.295969
6.645100
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7.659536
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6.140568
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6.276559
7.006806
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8.085330
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8.607562
4.931059
6.571001
6.566118
5.869198
7.189795
6.233222
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5.015534
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6.703207
5.275430
7.170751
5.406293
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8.659444
4.797143
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7.585803
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4.761864
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8.310556
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6.279733
8.470595
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7.979980
5.076449
6.748131
6.439283
5.639576
6.882168
8.109012
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7.462630
7.711661
6.492141
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6.792444
5.335002
5.935728
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5.380047
8.226203
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7.751579
6.499710
8.402722
7.388653
7.367168
5.344035
4.974273
7.964476
4.738914
8.212409
6.221992
5.837458
8.089114
6.259713
7.961547
8.026246
4.798975
5.132847
8.142949
8.371349
6.068300
5.911802
5.660207
5.082797
5.719535
8.229499
4.747826
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5.528855
8.447768
8.337413
5.514817
5.453658
7.762200
5.749931
6.808802
7.133885
7.112033
# Label of molecule (54)
0.311376
# Number of Instances of molecule (55)
4
10.287489
8.956332
9.765034
10.713260
12.403392
8.702048
11.335382
9.433812
10.160524
8.881008
8.635590
10.145645
9.194857
10.025942
12.412719
10.437648
11.743257
10.751316
11.569586
11.468416
11.557820
9.020726
10.696407
9.533892
9.552054
11.970511
10.770604
9.877082
11.064458
11.535859
11.144731
9.135089
8.986991
10.270425
10.338285
10.117391
9.043974
10.000619
9.097878
8.925471
7.332728
9.344261
10.285883
6.821895
6.141256
8.154703
10.016617
6.550258
9.060238
9.438061
8.538890
5.581936
8.340041
7.566671
6.888887
9.276257
6.059285
8.757720
8.884779
5.673792
6.682105
9.291938
9.705221
5.380370
9.572482
7.429769
8.784565
7.306413
7.778094
9.195800
8.699303
6.955564
7.536006
6.124133
7.789356
5.454697
8.070213
10.236215
6.487535
7.936143
8.110878
8.608372
7.902971
6.457377
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6.229798
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7.335736
10.222075
8.348151
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10.624774
8.924990
6.421507
11.162374
7.953164
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7.900437
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10.605914
6.669264
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10.535282
10.498999
5.464423
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8.394027
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8.080166
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8.237761
6.287947
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10.206262
8.204207
10.301040
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10.565612
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7.878074
6.397888
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10.266384
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7.604189
5.591034
9.079644
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9.126320
7.603815
7.820296
8.124594
9.468437
8.481249
5.613383
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7.239601
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5.548997
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7.403424
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9.393475
9.173254
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7.372295
5.510544
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8.193854
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8.478652
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6.332591
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6.908780
6.212470
7.138157
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9.427900
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5.767876
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7.267067
8.701193
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7.654408
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5.696951
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6.037416
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6.471633
5.482955
6.278268
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6.556719
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6.105655
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6.195502
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7.604602
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6.677816
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8.003906
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7.607288
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5.586962
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8.600452
6.308878
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8.670156
6.121616
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9.017090
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6.479415
6.637135
9.068972
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5.800562
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8.304178
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6.024201
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7.337718
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8.398907
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6.870540
9.131718
7.106265
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5.657857
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6.746269
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6.557054
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8.190771
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6.448897
6.202429
6.044954
5.381115
5.621357
7.067568
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9.142705
6.764946
6.401532
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5.491470
9.168340
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6.300699
6.308023
9.209113
6.310831
5.457045
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5.905911
7.255196
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8.991577
6.038850
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5.892361
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8.914182
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5.551531
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6.579150
8.990967
7.410230
5.539445
6.755303
7.229438
6.462569
7.461135
6.241127
# Label of molecule (55)
0.199904
# Number of Instances of molecule (56)
5
10.543406
8.943230
9.710925
10.264878
12.663381
8.685670
11.177969
9.293032
10.558689
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11.392548
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11.917875
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12.461253
11.123677
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9.715043
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10.120058
6.892231
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8.232310
6.049097
6.814287
7.638953
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7.201060
7.539334
7.429657
10.574024
8.554897
6.100624
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5.758829
10.204872
5.364465
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6.480909
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9.418352
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5.838949
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8.041734
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7.937483
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5.523347
8.479858
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6.746132
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5.970962
8.533540
# Label of molecule (56)
0.215329
# Number of Instances of molecule (57)
5
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6.638340
7.989944
8.592257
6.731239
5.516724
5.631962
7.053514
7.286554
8.549898
8.267296
6.266747
8.962752
6.402615
8.952376
6.013688
5.254753
7.844066
7.118946
7.690374
8.302576
5.735481
5.493774
5.776131
5.180410
5.947523
6.353542
6.918622
8.462493
8.082476
6.491485
8.511567
7.434019
8.876080
8.269616
6.639683
8.327845
5.154286
6.131367
5.265252
5.958266
7.219291
5.951918
8.533296
7.129078
7.540468
8.596896
8.066607
8.189413
7.624943
7.069140
7.130421
7.113453
7.942946
8.615574
5.537599
8.478973
7.783029
7.169973
7.172292
5.717536
7.911206
5.506714
6.003677
7.016160
6.910688
8.480804
8.470061
5.238762
8.076006
6.727821
8.101886
6.249413
7.736152
8.201743
6.264061
8.006912
5.883923
8.833232
6.008072
8.328700
7.108081
5.081408
8.857280
8.485687
7.483337
8.950423
7.380917
6.851238
8.129475
6.323878
7.227714
5.524903
6.060564
5.383175
8.047319
6.698157
8.036943
8.218345
6.321070
5.542726
6.625767
7.836253
6.624302
5.934828
5.381466
6.944380
6.191427
6.390286
9.016709
8.882061
7.662175
5.585208
8.440275
9.073962
8.880963
6.838542
8.539155
5.384152
8.628147
6.928877
8.575411
7.742378
5.153432
8.624363
7.076952
5.418455
6.391507
6.297021
5.094226
8.321375
8.729957
7.998245
7.700751
8.695288
7.208182
7.370540
5.608402
7.590152
6.021744
8.770486
8.777688
8.480682
8.204306
6.976241
5.892590
6.407498
5.365963
8.858257
5.580325
7.018845
6.360866
6.383572
5.244987
7.883740
5.759041
8.332728
7.396908
8.454314
6.998581
8.101886
5.345820
9.052355
5.091662
6.965743
6.139546
5.252800
7.761666
6.177023
8.617161
6.042253
7.883007
7.276543
8.455046
6.124165
6.102435
5.988662
8.081744
8.749367
8.514618
7.078906
7.332575
5.443358
6.265893
5.546510
8.723365
9.008652
5.965468
5.527955
5.214591
6.173116
5.773568
6.287500
8.345180
6.265526
6.046281
6.667028
8.605441
8.285363
5.408567
5.372921
5.929823
6.748817
7.133473
8.474212
6.180563
6.682775
6.699499
5.484985
5.498413
8.141438
5.403684
5.409787
6.396512
6.621616
8.904645
6.123676
7.470031
5.752693
7.568545
8.463225
6.599765
8.632908
5.496948
8.403897
7.521058
8.190634
7.108203
6.698645
5.636235
6.944014
8.148274
5.351680
6.944380
6.533235
8.006790
6.303735
7.961257
5.401608
6.213034
5.702399
6.509308
9.000595
7.985794
# Label of molecule (57)
0.234333
# Number of Instances of molecule (58)
4
10.676924
8.956419
9.447582
10.862417
12.696408
8.714785
11.553462
9.023897
10.259796
8.706954
8.694290
9.860512
9.185568
9.978041
12.425674
10.288980
11.607019
10.912668
11.600172
11.715595
11.729459
9.010025
10.854221
9.461986
9.627416
12.028633
10.759951
9.805935
11.192946
11.683929
12.447817
11.698404
12.025776
11.475241
11.722173
10.850945
9.997385
10.012336
8.988102
11.700550
10.305782
10.255713
12.536485
6.332291
7.354130
11.088698
8.587969
8.391012
10.141626
9.349828
11.057019
6.293229
7.805212
9.018171
8.125953
10.267540
8.587789
10.090641
8.215321
6.790276
8.481037
9.973219
7.940408
7.581937
9.382374
8.050762
7.263932
8.267050
7.375611
6.254578
9.622552
6.498630
9.099769
8.206036
5.315697
7.580887
8.093647
8.595106
6.191031
7.126076
10.132617
7.600079
8.188722
7.813662
6.754296
8.602893
8.850098
6.754576
8.256495
8.933445
8.957241
9.839456
10.301966
6.263726
9.081173
11.667465
9.573262
6.373242
9.799277
9.586924
7.310135
5.900161
5.389291
10.382092
9.977447
6.855525
5.903728
5.999822
10.906777
6.178490
9.503334
8.083657
7.343322
11.943415
8.394989
8.757198
9.137338
7.744907
9.296762
11.084352
8.297743
8.234491
6.443284
6.673714
5.659708
9.240253
9.992738
6.961918
6.404814
8.727229
10.631768
7.172916
6.679583
7.405606
7.470306
10.553167
6.909173
10.594767
7.845329
9.537239
9.778379
8.634483
9.554035
9.900965
6.329875
8.536538
7.029877
7.096776
10.066895
10.756417
7.836454
8.754530
5.584126
10.768198
9.683417
8.025065
9.509196
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10.005357
5.626674
6.754602
6.492382
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7.544053
6.400586
6.650960
6.664754
8.351451
7.930906
6.634236
5.585376
8.815332
5.133946
7.084689
6.504349
8.325816
8.294198
7.915036
6.847499
8.550920
8.665792
7.428571
6.457350
5.793146
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7.547594
6.697348
5.682546
6.463820
8.314341
8.362072
7.580554
7.612903
6.041322
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8.069338
8.315928
7.484481
8.388318
6.903043
7.483627
6.414991
5.445723
8.794092
8.688986
6.964324
6.771935
8.410901
8.151494
8.118412
6.374584
7.960936
6.588336
5.733818
5.049104
6.736045
8.807398
6.454543
8.420545
7.991943
8.917631
5.899472
6.790613
6.539750
5.032014
5.501144
7.665639
6.423536
5.337321
8.365856
5.836360
8.058351
5.405927
8.532853
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6.204169
6.625202
6.007752
6.029359
6.151189
7.618641
5.942808
6.060488
7.490707
6.534623
6.342357
8.450941
6.846767
6.077334
8.664937
7.306009
4.944975
7.154515
7.700674
6.153996
5.390057
7.017548
7.095309
7.410871
6.531693
7.768792
8.899319
6.398633
5.789239
7.111301
7.514267
8.794824
5.814264
5.215247
8.413099
8.385266
5.862362
7.577258
6.008484
7.997925
7.752190
5.745781
5.045808
8.489883
7.784539
7.789911
7.892697
8.665548
7.997925
8.384655
8.103397
4.998077
6.134709
6.388623
8.631367
6.032167
5.693411
7.788812
5.064486
6.339671
5.442305
5.887387
8.260628
6.906461
5.767754
8.606708
6.753502
6.822718
7.234718
8.784448
7.310648
5.154454
6.732994
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6.011536
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8.395520
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6.680746
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5.788385
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7.176244
6.524857
6.120670
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7.754387
7.404523
8.247932
6.596271
5.342326
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7.368145
7.672720
7.501938
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7.822260
6.772790
7.209571
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7.824091
4.937284
6.254830
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4.994415
6.383740
7.130222
6.588458
5.576464
7.120334
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6.203925
8.023072
7.643666
5.724052
7.099948
5.746025
5.184240
8.740135
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5.585742
8.207404
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8.484878
5.684744
5.772271
6.181219
7.110324
5.697928
8.376110
5.694388
6.450026
5.057039
8.568010
8.720115
6.234077
5.737114
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6.994964
4.950346
6.754234
7.806879
8.331797
5.084262
6.043764
7.033174
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4.956328
5.438032
7.195654
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8.618183
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4.953154
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8.226814
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6.669881
4.938017
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7.846797
8.466445
5.196814
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6.826868
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8.420667
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5.987121
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6.783776
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6.165899
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7.762139
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7.803156
5.712027
9.478011
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7.247353
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5.907956
6.715598
8.408643
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8.765709
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6.642109
6.053957
5.922971
8.974700
7.960021
9.206641
9.427961
8.286569
6.449965
6.780663
8.294382
7.275918
9.031587
6.464858
7.567064
7.851985
6.921659
8.850185
8.033265
7.463424
7.187292
5.874508
6.958892
8.555132
7.758599
8.510575
6.222785
6.454604
9.277932
5.568712
8.224555
8.563066
7.159703
5.494369
5.940062
7.725517
9.237403
7.031281
7.502121
6.656392
6.368664
6.627094
5.677236
8.294382
9.380352
8.456618
8.618610
8.962371
7.720145
8.936857
6.264290
9.206397
7.198279
5.608997
8.762047
7.189856
6.187017
6.263802
7.289956
5.517685
7.657521
8.182196
5.652699
8.364086
6.427381
7.369671
9.024628
7.780572
8.994598
7.657888
6.216315
8.059877
9.331278
5.546739
7.841365
7.026887
6.014283
8.666219
8.754357
7.137242
8.067080
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9.138524
7.252968
6.886135
7.844295
6.616596
7.975036
5.629505
7.093905
5.760613
9.403912
7.441206
8.196478
9.373760
6.205573
5.885617
7.186804
5.921506
6.857692
6.969146
8.952727
5.487655
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6.121586
5.515366
6.625263
8.410230
5.514756
6.928373
6.484878
6.547624
7.090365
8.666585
8.588336
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6.675436
9.384136
8.627522
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6.913846
8.661336
6.487075
5.897458
6.384167
8.085391
8.696371
6.349742
8.327586
5.751213
5.549547
8.273141
6.656880
5.607898
6.651265
6.899197
# Label of molecule (58)
0.251360
# Number of Instances of molecule (59)
5
10.404406
8.762584
9.376861
10.431063
12.402720
9.013613
11.382789
9.156435
10.237546
8.547989
8.597660
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10.117711
12.184179
10.470295
11.875669
10.730563
11.680259
11.660253
11.729732
9.071423
10.865792
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12.428339
10.524216
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10.590844
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11.979674
11.719408
12.215557
11.358670
11.677577
10.977288
10.053984
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10.083289
10.319443
12.520759
8.893596
9.113364
12.582734
11.402298
8.318538
10.907039
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11.319158
7.976364
9.222756
10.213534
8.802292
10.309540
6.836454
10.885051
8.473071
8.286460
10.141498
12.515293
8.478448
6.596433
9.320488
7.419740
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7.504763
9.218140
6.527755
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6.798790
7.554659
8.940394
7.334373
6.807017
9.865628
10.628357
7.889997
7.493902
9.968630
8.500829
8.125880
7.279980
6.478527
7.263911
11.343261
5.713846
8.298169
7.503868
8.668115
10.348307
7.903976
7.499433
9.027051
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8.747349
8.426467
7.660662
10.134726
7.515758
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7.978247
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5.230161
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6.619246
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6.820902
7.467118
7.937191
7.636268
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8.459690
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8.590969
7.376499
11.932088
9.634891
7.042215
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8.798400
7.594655
5.094889
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5.318181
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9.421086
9.651765
11.402215
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7.887225
10.198540
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8.902156
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6.268519
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8.375151
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10.038133
7.281577
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6.460112
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6.866131
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6.902020
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6.854778
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5.766243
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5.263054
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6.551424
7.331599
7.738227
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7.272393
8.431608
5.292230
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8.417203
9.076037
7.560976
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5.963393
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5.452025
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5.377560
7.831980
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6.429472
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8.237022
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5.496094
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5.431272
5.867931
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8.382534
8.322840
6.646397
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7.325373
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6.647740
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7.158498
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8.335658
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6.404935
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7.533143
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8.296716
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7.552675
6.438993
7.670598
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8.301965
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8.763649
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8.773171
7.363094
6.064837
9.143300
8.481292
6.542024
6.866008
5.598025
9.022324
7.975784
5.612796
5.575076
5.685553
5.817148
5.997940
9.157338
7.996536
7.464782
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6.697790
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9.154653
6.066057
5.494873
7.708075
8.039262
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7.768136
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6.162008
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9.312494
8.978378
6.348415
8.285974
8.870098
6.800211
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7.237358
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8.152547
6.911420
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7.621769
6.719153
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6.537507
7.772652
8.596652
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6.254418
7.365169
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6.392605
6.088885
6.092792
6.013932
7.428037
9.263787
8.009110
6.414090
7.461241
7.942579
8.694189
5.906262
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6.407376
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6.527131
7.538026
8.092853
6.391751
5.498291
8.364711
8.382534
9.099231
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6.767373
5.531373
8.871563
7.128712
8.008255
5.486816
8.117756
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8.162435
6.850139
8.304773
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5.949843
6.765786
7.019700
8.637059
6.996506
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8.148762
7.840648
5.400021
6.102191
9.049181
5.459838
5.475829
7.472716
6.586825
8.236045
8.556978
7.298029
5.918104
5.411985
7.724189
7.142384
5.887341
7.358943
7.340876
6.121479
8.916852
5.850475
6.267113
7.517396
5.264153
8.362026
5.628788
5.854259
7.522034
8.766701
8.016556
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6.805826
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7.754952
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7.480285
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8.556490
8.505829
5.347652
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6.995773
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7.095386
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5.180410
8.093097
6.811441
8.840312
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6.766762
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8.448943
8.637059
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7.722724
9.043931
6.640538
7.498596
6.409574
6.795206
6.575961
7.517640
5.604617
7.935499
6.529328
5.816782
7.053270
8.359218
8.594943
8.710791
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5.694830
7.948683
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5.508545
6.150288
8.226768
6.174703
8.288171
8.506195
6.083392
8.085650
7.702582
5.632939
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7.401059
6.034196
5.906751
6.848308
8.280969
8.960677
6.897870
5.195181
5.409787
5.756844
# Label of molecule (59)
0.300095
# Number of Instances of molecule (60)
4
10.194236
8.808012
9.728028
10.373959
12.097754
9.063687
11.155618
9.175577
10.622618
8.661107
8.528964
10.051128
9.482976
9.517345
12.434908
10.426753
11.787526
11.352715
11.543388
11.450495
12.030422
8.875613
10.951949
9.693309
9.874722
12.241343
10.184922
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11.101786
11.784887
12.282188
12.097730
12.263751
11.091376
11.452533
10.817062
10.175114
9.555311
9.115539
12.016961
10.091752
8.197169
10.699564
6.748689
8.518104
9.959255
8.802007
7.703825
10.896449
11.011413
10.157029
6.842824
9.429768
11.701237
7.574495
8.502821
6.545554
9.466391
7.984424
7.015837
10.316864
9.357049
8.197144
7.809265
8.120063
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7.895065
7.040649
8.203757
8.142225
9.479738
9.364341
7.876969
8.794095
6.258181
7.607012
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8.874333
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10.541390
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10.324035
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10.616210
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6.738827
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6.420035
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7.044016
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6.604767
9.644432
9.547300
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6.629189
7.438030
8.787638
9.407963
10.141474
9.208449
9.078459
9.067828
9.964749
6.038509
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7.494460
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6.667272
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7.149831
5.129505
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5.896496
7.771432
6.019547
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8.480560
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6.498199
4.873028
7.036302
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5.375484
8.167196
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6.123310
5.368770
7.031053
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8.203330
7.977004
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6.658849
6.924848
6.692785
6.091571
5.833262
8.694189
7.373959
7.947340
8.488006
4.936628
7.561586
7.363582
8.183676
7.568056
7.914502
5.847667
6.356594
6.519807
6.886883
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5.179556
4.821390
4.866192
5.292840
5.820688
6.111469
7.148000
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8.477142
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5.119739
7.378475
8.554781
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5.033067
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6.918134
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8.735572
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6.983932
6.775796
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5.154897
7.463073
4.750832
5.564333
5.903577
7.091357
6.917646
8.363124
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4.889019
6.174093
4.951765
7.389340
8.005448
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5.971450
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6.495880
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6.026261
6.050066
5.563234
8.159627
7.342463
7.429014
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4.923566
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7.166707
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4.899670
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6.915113
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6.975906
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6.426206
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4.756722
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6.189505
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6.609561
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6.759102
6.555849
5.878582
8.139882
6.596500
4.807627
6.820139
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7.718604
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6.944166
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5.496948
6.876141
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6.945112
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7.554384
7.603824
4.939192
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4.818583
6.993332
4.739723
6.636509
4.797708
5.446165
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7.128590
5.569582
6.472930
8.006180
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5.438597
7.216117
6.318506
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5.816538
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4.772805
5.067736
7.565615
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5.994644
5.069689
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8.631321
7.471007
8.590793
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5.937880
5.482665
6.650548
7.289239
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5.820933
8.123981
5.225333
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5.818247
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5.035752
4.748634
7.482116
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6.897992
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6.403470
8.524140
5.324213
6.800821
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8.569063
7.807810
7.572817
7.157888
5.076891
6.429228
6.459746
6.585604
6.287378
7.800363
6.218284
8.689795
5.636479
8.716895
6.160054
4.912458
5.595950
6.898724
8.033403
5.968032
8.067827
6.191061
6.148091
7.663640
6.207419
5.600101
7.617496
7.495056
6.552156
7.541322
6.591708
6.390164
8.329798
6.672521
6.359157
7.976760
4.820902
6.688757
5.189566
5.746834
5.651494
6.452055
7.794748
6.496490
4.890118
6.833415
6.280419
8.412931
5.824961
7.639348
8.467498
6.185202
7.294977
6.000870
5.452391
5.514283
6.451567
5.596805
8.287805
7.394711
6.824137
8.089557
5.652593
8.546236
6.565706
8.145344
8.391934
6.368313
7.753731
7.416807
4.796487
6.793619
5.619266
4.860820
8.501923
7.413755
6.582430
6.767006
6.877239
6.254418
# Label of molecule (60)
0.280199
# Number of Instances of molecule (61)
3
10.168525
9.038796
9.824104
10.257636
12.487489
8.938239
11.384376
9.416195
10.679482
8.857800
8.699610
10.121681
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12.417184
10.446271
11.246977
11.130108
11.906301
11.904047
11.956016
8.687161
11.236229
9.386858
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12.405809
10.756838
10.187756
10.866445
11.770809
12.533666
10.727480
9.885133
10.692905
10.118610
10.652200
7.216878
7.144240
7.097545
10.235914
8.786430
10.053083
11.033679
7.477663
7.488078
10.154635
11.806854
8.567420
11.425448
11.364931
11.411538
7.812351
9.150471
11.261231
8.554043
8.488328
7.481031
11.362718
9.377979
7.439854
7.512522
12.391737
8.933813
6.978238
9.910651
7.699321
8.980856
9.145676
8.693676
7.850338
11.275440
6.525194
9.208407
6.974296
7.913898
6.122369
9.235158
7.288491
7.013340
9.427373
8.160396
6.675067
7.405941
7.083029
6.924790
8.291268
11.189514
5.507739
7.928229
9.103546
8.189155
7.718504
11.682546
5.657072
9.708954
9.413798
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8.784520
7.748459
9.874776
7.605603
6.421167
5.345084
10.835176
9.118152
6.293171
5.359719
6.010078
10.920355
6.654940
8.128637
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6.669795
9.645121
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7.515279
10.008109
9.324061
8.545782
11.669283
8.748812
6.964030
7.797611
8.125188
7.071362
11.284797
9.043609
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6.883079
6.858029
8.474398
7.772383
7.923964
7.368757
6.522250
8.057485
6.875533
10.917187
8.267586
9.942061
9.412610
8.083118
7.216116
9.025132
6.202518
7.038715
8.340167
7.055814
8.987835
9.083544
8.678561
9.123891
6.561831
11.712495
9.478143
8.946232
6.855864
8.356176
7.467816
8.340385
8.804270
7.371019
8.311522
6.574978
7.769184
7.231742
7.691839
7.470397
6.820475
5.892468
9.173452
6.978805
6.859905
6.093158
8.918928
8.461882
7.363826
8.313807
7.470763
5.375851
8.574801
6.074725
6.663121
8.342372
5.513062
6.170186
6.522614
8.487518
8.217368
6.049699
6.190573
7.336238
8.444426
7.442930
7.246147
8.135945
6.206442
8.101886
7.800119
5.484252
7.518616
7.534120
5.739631
8.138508
6.732215
8.604099
7.494812
7.877148
8.829203
6.876507
8.704443
9.293085
9.052477
5.576785
7.154714
5.390255
9.247673
8.043535
6.366726
5.861339
8.289758
5.548097
6.207785
6.918378
5.971572
8.357631
6.899701
5.554201
5.728278
5.912610
6.802530
7.109180
7.571352
8.000198
8.344935
9.015488
8.610935
8.791116
8.479339
5.598392
6.536409
5.621097
8.034623
8.806253
7.435484
6.389431
8.342616
5.744148
5.322382
5.447874
5.513184
7.889721
6.752602
5.858898
6.732582
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7.898755
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6.959883
5.615116
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6.397366
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8.794168
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7.202567
6.608066
7.395199
9.164418
8.953108
7.644841
7.398129
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8.727027
8.680273
7.222587
6.112690
7.449767
9.240715
6.702673
7.269585
5.602420
6.406034
6.660558
9.244743
8.928083
9.072130
6.842814
5.827891
8.567354
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6.975143
8.657933
8.500580
8.377285
6.808390
6.528230
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7.032884
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6.142964
6.688635
6.932905
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7.117359
8.661107
8.725806
5.427976
7.880200
8.002396
5.318354
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7.424619
5.506958
7.598453
7.759957
7.713691
5.864635
8.280236
5.534913
5.512574
7.396664
8.032426
6.108905
6.886395
5.539186
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8.253258
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6.137700
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6.509659
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6.345592
9.057466
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7.367107
7.386151
5.308451
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6.470473
7.250404
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7.915708
6.763329
5.312235
5.390728
5.360332
6.409436
9.134739
6.209113
7.236244
6.904202
8.153996
7.764336
9.076754
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6.951933
9.140599
7.860408
7.104892
5.486557
5.446028
6.114383
6.066774
7.661184
8.961882
7.290811
6.153203
5.601917
6.780663
8.791467
6.168950
9.023896
8.815882
9.016327
8.543413
7.055208
6.049562
6.810205
8.280099
7.900204
8.900235
5.683218
6.210089
7.711112
5.580798
9.179296
5.424787
6.046632
6.325816
7.767754
7.763970
7.291787
5.358257
7.634816
5.232765
5.412458
6.476455
5.746941
7.224769
7.422895
8.130680
5.563463
6.422987
8.936857
5.868404
5.772088
8.256905
9.181127
8.021546
8.423536
6.788110
6.845119
6.509781
6.838893
7.902402
8.140324
6.637959
7.666555
6.679098
8.446608
5.759270
7.460616
7.816950
6.918973
8.680746
6.159917
7.989074
7.430708
5.686392
5.839106
9.002655
5.226783
9.052950
9.108615
8.638142
8.664266
5.930662
5.537461
6.043458
7.411908
7.469649
8.476394
8.557817
8.487991
8.060244
6.651387
8.839686
7.507126
6.567522
8.908780
7.175085
8.513871
7.432295
6.480972
7.840999
7.777398
5.514023
7.153600
8.396924
6.921659
8.551836
5.702872
6.782495
6.766625
9.116550
8.984222
9.094577
7.255776
7.931089
8.042177
6.917997
8.844203
8.432081
7.620411
7.088046
8.722373
8.449049
5.444075
6.754906
7.251869
8.876431
7.650929
8.630696
5.985961
5.210913
8.745933
5.288186
8.651448
5.833735
6.454604
7.392865
# Label of molecule (61)
0.236976
# Number of Instances of molecule (62)
3
10.216782
8.976115
9.472355
10.244608
12.412803
8.677900
11.042806
9.457633
10.128598
8.641985
8.620360
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9.484416
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12.301710
10.440465
11.388325
10.880498
11.277819
11.323012
11.744013
9.040880
11.009884
9.680544
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12.145930
10.439470
10.105005
10.610439
11.855069
12.427581
12.032486
11.888118
10.878521
11.345937
10.656875
9.754566
7.899373
8.216156
11.471202
9.469840
9.507221
11.799618
8.737331
8.292739
10.832214
10.543876
8.847295
8.916154
10.793212
12.055040
6.377898
8.085785
10.403509
9.057489
8.437947
7.705392
11.674788
7.681390
7.377671
8.877729
11.096718
9.778607
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10.238236
9.074448
9.172378
8.266556
9.213790
7.646656
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7.468057
8.738510
6.624920
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6.184604
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7.604752
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6.496215
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10.764932
5.922733
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10.255112
8.040765
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11.122662
10.349940
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8.220517
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9.455923
10.034270
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8.212204
6.801560
7.473190
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7.932020
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11.384709
6.215346
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5.223330
8.446718
5.989450
8.212932
10.191170
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6.241666
8.891817
7.750571
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7.285594
7.626510
5.897213
10.539321
9.293748
8.489122
6.865935
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7.475323
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9.407583
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5.275560
9.268721
8.465813
7.572878
8.717465
10.509750
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10.099765
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6.785882
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7.309091
7.775414
8.867855
6.341533
6.582507
5.268014
8.432295
7.831935
6.072359
7.022462
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6.262429
6.453841
7.890896
6.223365
8.404218
5.308176
6.442610
5.569048
7.687887
6.659169
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6.263649
8.832698
5.721152
7.906766
6.112033
5.654134
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7.058473
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5.748253
5.316599
7.308847
7.177496
6.274392
8.934019
8.355754
5.281075
5.605060
5.713950
6.479598
7.738792
6.752190
7.830592
5.903043
7.508683
8.832942
5.890347
5.891079
7.267342
8.793756
8.111606
5.533891
5.975921
5.345531
8.495895
8.678640
5.625690
6.485214
5.866298
5.382763
7.037843
7.976470
5.649007
8.268349
5.593829
8.168615
6.269875
8.147496
7.770653
6.525010
6.045991
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7.238044
8.442061
6.762200
6.207617
7.304209
5.570025
6.041353
6.473495
6.436628
5.806482
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6.186865
5.400586
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7.653706
5.950896
6.988159
7.016236
7.152715
5.623005
8.959899
8.402264
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5.985687
5.693319
7.346202
6.335185
6.337870
6.648793
6.137791
8.711112
7.403699
8.280557
6.266091
5.568804
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6.421491
7.555559
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6.439314
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6.607410
7.435438
8.878109
7.550188
5.419996
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7.632954
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5.964446
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5.288888
7.763329
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5.385769
6.752388
7.761574
8.518433
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6.616398
6.544008
6.434629
5.435575
6.618229
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6.453063
5.549471
6.671331
5.371975
6.207938
8.795907
8.325068
8.626347
6.966018
7.711280
7.337367
5.244041
5.402860
6.248711
8.530519
8.613529
7.705908
5.624058
6.599918
6.474670
5.826701
8.188711
7.473846
7.289636
8.915784
7.888165
7.538667
6.133351
6.808542
6.681341
6.607608
8.485107
8.444212
6.296319
8.506226
8.291620
8.087024
6.696112
9.149678
6.679998
6.228813
8.631474
5.987594
7.693701
6.044969
7.653417
8.691778
5.426176
8.281243
8.963027
8.959487
6.929518
5.443754
6.470885
5.310083
5.269433
6.170827
7.443693
8.749397
7.105914
6.657292
6.110645
5.174093
5.170675
8.009873
7.606784
8.395871
8.018784
8.406735
5.626377
7.655614
5.428495
8.937025
7.162923
7.506684
5.824625
5.994675
7.709815
7.938581
8.100696
9.102557
6.296564
6.619083
8.213126
9.040056
7.737403
7.128254
6.926099
7.152058
5.463408
7.058916
7.077837
6.711493
8.318232
5.860759
6.746651
5.211447
8.687140
6.299982
8.689581
8.462889
7.339442
5.412381
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5.370754
8.355586
8.823374
5.366726
8.266594
7.514496
8.309076
7.288049
5.668615
7.518647
8.476562
8.648686
8.348872
7.428922
6.434996
9.004654
7.577242
7.685034
# Label of molecule (62)
0.240581
# Number of Instances of molecule (63)
3
10.629014
8.759828
9.572610
10.578122
12.552936
8.826643
11.345754
9.301345
10.091853
8.648233
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12.298821
10.301157
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10.951629
11.428887
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11.692456
9.130292
10.987300
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11.978000
10.570137
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11.457518
12.137335
12.207106
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11.461918
11.680757
10.761358
10.110043
10.034032
9.062412
12.149698
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10.055416
12.840753
8.789947
9.331035
12.276693
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12.332395
7.770183
6.676166
10.404191
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10.020197
5.215935
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5.818605
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6.810008
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6.151301
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7.174075
7.007550
8.321111
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6.436779
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9.282165
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10.962216
6.494255
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8.314027
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10.239747
11.335118
5.843666
7.691596
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5.583915
10.026888
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6.380402
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6.091217
11.693799
8.675289
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10.831663
11.111892
11.211535
9.070116
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6.875625
6.402533
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8.511572
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7.786464
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7.603641
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6.853485
8.158654
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9.872348
8.542017
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7.641810
6.782027
11.706206
9.290103
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6.624803
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6.117328
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6.793619
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6.653356
8.194296
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6.776528
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5.058336
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7.692938
8.429777
5.282952
6.150410
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7.585269
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5.862560
8.468474
8.010208
7.601993
6.408109
6.150166
7.220878
6.181417
7.919874
5.789193
5.117786
6.788491
7.883374
5.135853
6.980270
7.005661
6.188253
5.946181
7.506897
8.222495
7.133839
7.815744
5.129872
5.106311
8.145100
5.508545
8.977645
5.755623
8.575289
7.651189
6.859783
7.405332
5.968398
8.670141
8.652318
6.563753
5.159536
7.845531
5.454833
8.452971
7.583926
7.358333
6.896771
6.630161
6.172750
7.203055
8.967269
5.662114
5.211295
8.844096
6.742592
5.731086
6.530793
5.488403
8.388272
6.043352
5.412229
6.850871
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5.919446
5.576907
8.286462
8.613941
8.142125
7.700217
5.487381
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5.124088
5.232124
6.245216
6.718986
6.021699
8.538987
6.501938
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5.685263
7.677755
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5.296945
5.662801
5.841762
7.397839
6.923093
7.446669
6.495346
5.725181
8.503952
8.810968
7.400037
5.065004
6.091403
7.172369
8.196692
7.440077
7.467055
8.349773
6.416486
7.436293
8.070711
5.096622
6.796869
7.888943
7.922636
7.782128
6.777215
7.152715
7.411267
7.595965
7.048952
5.334422
5.824915
6.650990
6.035615
6.860714
8.499069
7.360485
7.177740
6.756218
6.456282
7.462050
5.896939
6.009125
6.414533
5.066591
5.115055
7.396496
7.035768
8.105136
6.202857
5.145817
7.292856
8.548265
8.233558
7.808008
6.828730
7.776025
6.415510
7.714988
8.182287
5.468825
6.580676
8.400067
8.756523
6.398785
6.601794
7.353038
8.404218
5.493240
5.614216
5.486038
8.505417
5.547319
7.918485
8.686575
8.412397
7.959990
6.435774
8.829890
7.136357
6.867428
8.595630
5.628620
8.152135
7.052248
5.525101
8.693045
7.194220
7.998444
7.421400
5.176092
8.920225
6.471053
5.975188
8.381512
8.316935
7.994903
6.726920
8.705863
6.723258
7.605609
8.225867
6.292581
6.345195
6.249367
6.869625
6.772088
5.138249
7.206549
8.298502
7.461684
7.931913
6.913327
8.218543
7.403211
7.671163
8.557054
7.530534
8.609424
8.650807
8.819514
8.637989
5.898404
5.616291
6.144505
5.809534
8.688040
6.606922
8.903378
8.472457
8.125278
5.416334
7.833399
6.308206
8.928892
7.545305
7.125736
7.030763
7.315561
7.521256
6.536119
7.717673
6.388897
5.460280
8.894101
6.570666
6.362896
8.747246
# Label of molecule (63)
0.278646
# Number of Instances of molecule (64)
3
10.504433
9.258397
9.438476
10.768344
12.164026
8.752019
11.197168
9.033060
10.593629
8.469837
8.320050
9.729424
9.222384
9.560658
12.338560
10.310246
11.472373
10.859184
11.477560
11.673544
11.582769
8.999914
11.016855
9.420052
9.627711
12.084796
10.321215
9.843228
10.679409
11.782558
12.562369
12.081169
11.706535
11.393934
11.796066
11.006783
9.722990
9.980962
9.296805
11.527135
8.237119
8.100067
10.550698
7.304882
6.501668
10.427434
9.703288
9.351711
8.368172
9.742780
8.299187
5.445165
6.983357
10.172585
7.946592
9.160136
7.840816
8.944252
7.022269
7.040313
8.020117
8.414350
10.176949
7.642187
8.215580
6.797659
7.685886
6.157401
7.617334
6.929723
11.319529
8.688860
6.147396
7.820124
7.139062
6.091792
8.555670
9.274699
5.088665
6.389387
8.076445
8.032629
8.005295
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8.183661
10.868616
5.144178
10.417630
6.222923
10.208102
8.496760
9.044205
6.726314
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10.787259
10.554740
8.095119
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10.467917
7.706534
7.320640
5.205575
9.807540
9.976188
6.861105
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6.186436
8.406690
8.577050
8.084054
7.690859
7.871644
8.893960
6.198706
9.109923
8.543224
10.230172
9.911168
11.778912
8.034231
9.261733
6.387931
8.120967
8.720465
10.259301
7.974751
7.042545
7.214223
8.211639
7.922679
7.527710
9.418622
8.258433
6.241529
9.883165
10.299527
11.036588
8.852208
10.930400
7.220165
8.432364
6.569349
6.561026
8.161384
8.042492
8.250070
5.239472
7.390181
7.339321
7.097415
9.527396
7.518565
8.595639
6.813057
10.050719
6.950672
9.972771
8.640391
8.422400
7.639207
5.792178
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6.118028
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8.157841
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6.024186
8.664403
8.147420
7.782296
8.607150
8.199179
4.927595
7.985794
8.092120
6.202292
5.300775
5.193472
6.938520
8.015702
4.960067
5.381344
5.243156
6.123310
6.723548
4.988266
6.846721
5.056871
5.512085
6.771645
7.776559
4.918806
6.601840
6.466094
6.400784
7.397763
7.522767
5.123646
8.668065
6.150044
7.983108
8.007645
7.808054
5.425169
6.190451
4.915632
7.868236
4.807108
5.947279
4.809427
6.460967
5.947890
4.894635
7.621647
6.098041
7.169118
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6.119037
5.483886
5.804941
6.618076
8.695288
8.146809
6.162740
5.639286
7.967849
7.779855
4.975692
6.868084
6.054827
7.668279
8.222373
7.237724
5.406613
5.577639
7.189016
8.099078
8.067217
5.477905
7.648747
6.003555
8.239708
7.478698
8.032792
7.633854
5.032334
5.349849
8.468963
5.258782
8.258995
7.003830
6.562777
7.085986
8.168050
7.313288
5.795297
6.888958
5.978530
8.640110
8.412931
7.281304
8.093463
6.449736
6.685095
5.015488
4.869121
7.387631
8.403775
8.679907
4.814066
5.190054
6.499664
5.167837
5.092395
5.807016
8.652196
5.297845
5.206412
7.110889
8.764260
4.954695
8.735328
8.565523
8.181234
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8.001541
8.231895
8.526582
8.236290
8.544160
6.484161
8.028764
6.069964
8.269860
5.812143
7.216849
4.796243
8.159749
6.084613
7.857250
8.334193
5.405637
8.648045
7.007370
7.513489
5.851085
8.636448
6.062883
8.381924
6.611484
4.868389
8.670995
7.033860
5.750008
6.703284
7.385678
5.338618
5.882092
7.233695
4.941145
7.942213
8.585543
6.190085
6.017472
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6.489166
7.930494
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8.886013
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5.947691
6.782067
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4.968291
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6.563066
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8.640156
8.071047
5.723563
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6.769250
6.350902
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5.685110
8.442152
5.149327
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5.586474
5.626759
7.852657
8.856960
5.552416
5.389203
7.350810
7.076388
6.770348
7.910154
5.021638
6.672689
5.097568
7.877804
6.727989
5.539354
5.345622
7.766350
5.457686
5.581957
7.244850
8.200446
6.330515
8.767113
7.963012
6.781457
5.848567
5.568285
8.054445
6.748741
7.262062
8.187262
5.713309
6.852016
7.928587
6.921476
6.207099
5.810236
8.539567
6.057070
7.363506
8.731101
8.087771
5.659108
7.988891
8.865627
6.453322
5.635304
8.089724
8.075686
6.481155
6.448927
7.775018
5.384930
5.425825
6.854091
5.712210
4.993439
7.638539
5.030305
8.014283
5.125278
8.371227
7.490463
8.429823
7.089938
8.573260
8.136479
6.713950
5.927061
6.554643
5.838923
6.053774
6.014588
6.392285
6.915738
8.423475
7.010834
8.952055
8.882962
8.743187
7.508530
5.404828
7.854488
6.719199
7.774651
7.108737
5.966247
5.237709
6.950896
7.732780
5.197546
6.188787
8.090701
7.499496
7.966185
8.594134
6.406079
7.418439
6.871914
7.915647
6.101871
7.387555
7.963988
5.418256
5.170080
8.035768
5.906552
6.462722
5.519456
6.184149
7.417585
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7.817988
7.798334
5.356120
6.357738
8.419202
8.307993
7.833369
5.554247
5.750420
8.169317
8.721702
6.076968
5.538011
5.544115
7.937742
5.939756
8.240852
# Label of molecule (64)
0.226602
# Number of Instances of molecule (65)
3
10.285597
8.981575
9.649347
10.242336
12.366223
9.236649
11.038637
9.474914
10.689945
8.604994
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10.086172
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9.797796
12.182341
10.415178
11.775652
10.902632
11.643775
11.703011
12.010093
8.882833
10.680275
9.720294
9.459280
12.532725
10.623115
10.254045
10.797257
11.885824
12.423175
12.169287
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11.187236
11.482285
10.455545
9.814145
10.043525
9.101422
12.008279
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10.379661
12.185355
8.681679
9.136907
10.455340
7.462648
9.461992
9.010055
10.375155
8.495176
6.050374
7.971574
8.726881
8.318130
7.993451
7.066940
9.204311
6.978003
6.258550
7.683146
9.812637
9.753298
7.092414
8.724023
6.245544
7.598294
7.957572
7.213471
8.588117
10.719553
9.110235
8.267361
8.822628
7.418423
6.532309
8.172013
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5.127134
8.128671
7.423030
7.917163
8.697281
7.777682
6.236776
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10.819739
5.961657
9.674409
9.356001
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10.687427
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6.008355
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7.798897
6.472221
7.047074
7.301274
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6.936490
7.057675
8.076502
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5.860005
8.716706
10.154922
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11.195054
5.908288
9.229069
9.849954
9.961638
10.181820
8.460055
7.107017
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5.476998
7.852621
5.672455
10.151764
9.617278
7.757078
7.453157
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5.643617
7.154780
6.639851
6.004292
10.171272
7.510611
10.929966
9.681335
8.238704
9.513965
7.811769
9.520157
9.283028
6.578161
9.279361
6.901167
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7.690888
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7.206162
9.499697
5.913617
10.483506
8.113520
8.838249
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8.324423
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7.454948
6.875734
8.184534
10.166626
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10.125143
9.508754
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6.904584
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6.937544
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6.116962
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7.538759
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6.516755
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7.109424
7.856151
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5.381954
8.136677
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6.650426
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8.435759
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7.843822
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6.220359
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6.576571
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8.631687
6.691321
7.363460
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5.990738
8.387051
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6.570711
5.447508
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6.865520
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8.320521
7.096362
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6.240501
5.933363
6.479400
6.506989
6.261376
9.003281
6.681799
6.671178
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8.506073
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7.174245
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5.945204
7.893139
8.913312
6.413724
7.909009
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6.170186
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6.453032
5.605838
6.497101
5.136219
8.828349
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8.988144
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6.290429
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7.959059
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6.682165
7.138600
6.503937
6.625401
6.857707
7.201712
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7.910596
8.526215
6.746864
7.722480
5.903333
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6.837565
5.112293
5.222159
9.027940
7.720527
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7.607120
8.569063
5.326411
7.876659
8.679907
7.794259
5.297113
6.954146
6.977706
6.253319
7.053392
8.313440
5.914563
8.371792
8.937117
8.971419
5.228263
6.400540
6.475616
5.359615
6.234519
5.288690
6.741615
8.694189
8.258751
6.142109
8.578829
7.866283
5.125111
7.642277
8.569796
6.234153
8.573458
6.802286
6.621860
8.685888
7.481384
6.433012
7.045091
5.352535
5.766488
6.695105
8.996323
8.344203
7.842479
8.112506
6.166280
7.882885
6.505524
7.421201
5.584597
8.212119
6.125507
5.629521
5.415403
5.651616
8.016434
5.664556
5.621097
5.177847
6.861126
6.977950
7.368221
5.901257
5.067370
6.489898
7.050218
7.818552
5.926649
5.242180
8.802835
6.211570
8.453825
6.138813
5.385983
6.071917
8.780984
6.145405
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6.921674
6.981735
8.327235
6.072039
6.408841
8.199057
5.095447
7.399228
9.051622
8.953352
6.041887
8.340541
8.504486
5.505860
5.732429
6.115009
5.724494
7.150563
8.837870
8.571261
7.410337
7.311579
7.974929
6.139302
7.088672
7.319758
7.634220
7.151540
5.226432
5.744758
5.567385
8.403897
6.739051
8.155965
9.012314
6.835490
# Label of molecule (65)
0.254699
# Number of Instances of molecule (66)
5
10.281910
9.177277
9.301851
10.560745
12.451989
9.141727
11.382403
9.250992
10.421174
8.963022
8.473043
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7.700873
# Label of molecule (66)
0.219526
# Number of Instances of molecule (67)
5
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6.033525
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6.374233
6.797952
7.886120
6.765603
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7.128407
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5.456481
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6.624363
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6.843364
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9.163747
9.018235
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6.552828
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6.552705
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6.031449
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6.369152
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7.415937
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5.617420
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6.780053
6.351695
7.874325
5.959960
8.161809
6.697653
7.014801
6.326670
7.471847
7.191565
7.764824
6.519303
7.150548
7.875546
6.306162
8.692831
5.166967
8.069521
7.889218
8.742271
7.112217
6.786157
5.375225
5.683096
7.909726
7.420209
7.583911
7.742851
7.018220
5.085543
8.319773
8.537675
7.001251
8.976531
8.954314
8.711020
7.339640
6.126347
5.436384
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6.156255
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8.705039
8.153020
5.379376
8.659749
8.895596
7.468062
6.766503
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6.772485
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6.289804
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8.631916
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8.796228
5.535386
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6.533219
9.015351
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7.063997
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9.028901
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5.246559
6.000610
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6.153203
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7.366253
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6.143071
7.029450
6.912503
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5.412336
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5.748405
6.363659
5.972045
8.607746
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6.198004
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6.923368
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9.011200
5.416486
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8.912931
7.644337
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6.889431
5.212989
5.472762
5.572130
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6.952055
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5.189795
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8.157903
8.604205
6.909330
7.609058
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7.128452
6.547746
5.677725
6.219855
7.758721
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5.075900
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5.763176
7.270913
8.515702
5.644154
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6.637471
5.447615
5.779656
5.292825
6.673971
7.973815
6.391247
7.969420
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8.125675
8.313669
5.994140
7.149815
5.833979
6.755638
5.213721
7.163976
8.048158
8.483474
8.240791
7.082919
7.377117
5.058443
5.622913
5.406232
6.631245
9.004852
6.349010
7.880428
5.635121
5.780999
7.064730
7.325968
8.691122
8.432569
5.375225
8.832240
5.063692
7.798029
8.607990
8.194769
8.865566
5.145238
7.412152
5.469466
6.713523
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5.568712
5.518540
7.536058
8.829920
7.386151
7.424726
6.902249
5.091769
6.057619
6.646260
8.249825
7.465377
6.353893
7.790826
5.386700
5.198218
9.026948
7.879574
8.641194
5.808100
6.299326
7.980407
7.034577
5.227027
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8.853847
7.375286
6.430555
6.085452
8.996063
6.039064
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5.462508
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8.976531
8.736534
5.375958
5.795404
5.938597
8.815149
6.895535
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6.484024
6.461806
5.405866
8.691855
8.814661
5.367534
6.355358
7.686697
6.615009
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5.115452
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8.190863
7.651418
8.241646
6.002441
6.442640
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6.980743
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6.215339
6.121464
7.549852
7.388348
5.907102
6.438368
8.820521
5.228492
7.703665
5.932615
# Label of molecule (67)
0.184749
# Number of Instances of molecule (68)
3
10.510456
9.085950
9.289910
10.571793
12.360693
8.860339
11.576383
9.411197
10.398232
8.582577
8.758530
10.158177
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12.358560
10.404497
11.721537
11.244767
11.817254
11.943274
12.016960
8.653640
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12.340695
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11.257299
11.200319
10.540292
9.892173
9.664401
9.033774
12.069118
10.063248
10.416877
11.517837
6.509127
8.069104
11.807406
7.447021
8.422333
8.021851
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7.332378
10.118123
7.526657
6.784042
6.471487
8.939181
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6.497944
7.432623
10.455206
10.011348
5.991916
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7.840157
8.658813
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6.826296
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9.194182
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6.509993
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8.483965
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6.984577
6.971925
6.944804
10.386444
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7.472980
11.055458
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9.569498
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8.884010
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7.380126
7.463875
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6.209902
10.153289
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10.226096
5.259736
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6.287744
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7.105029
5.757698
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8.243004
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6.578036
6.839640
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7.559511
6.946455
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8.243370
6.550569
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7.853099
7.838084
8.893780
5.885022
7.323786
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6.961348
8.477874
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7.178274
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8.186361
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6.348659
5.745003
8.614109
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7.971145
7.899365
8.694189
8.015458
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7.893139
7.693426
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6.982101
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6.084246
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6.708533
8.318690
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6.000259
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5.821665
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8.475677
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6.097308
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7.666311
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8.745811
6.354381
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9.369366
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7.249062
8.120670
8.299142
5.667104
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7.237220
7.675100
6.867092
5.972411
8.076846
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6.275765
5.685049
6.153447
6.643696
6.163823
8.032411
5.986450
8.701254
6.594867
7.881527
8.366405
7.183630
6.153569
6.884060
8.428541
6.246223
6.791772
8.201117
8.006043
8.236885
8.768639
9.312479
7.176183
6.501358
7.771905
8.413648
8.673666
8.714682
7.093417
7.772027
7.047029
9.107395
7.733451
7.419843
8.430860
5.967772
9.310526
8.558428
8.811487
6.792138
8.651082
8.047304
8.659017
5.457503
8.933317
7.355388
7.801935
5.793451
6.260750
9.347758
6.418836
7.927915
6.541276
6.282113
8.022156
7.779839
7.544481
8.393994
6.309458
6.077395
7.014679
8.439405
7.756767
9.273049
7.713675
7.576708
7.828303
6.731590
8.267769
5.956908
8.680258
6.569231
6.694479
7.401410
8.229682
6.513443
5.484115
5.539903
8.466994
6.162236
9.111545
8.785119
8.884854
9.017060
6.850978
7.516526
8.899869
8.663778
7.772759
8.853236
9.140965
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8.792810
6.384045
7.480270
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6.653340
6.236702
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8.945647
6.706687
8.856044
8.537187
5.464949
7.380535
7.868831
7.382122
7.956114
# Label of molecule (68)
0.257679
# Number of Instances of molecule (69)
5
10.381822
8.996072
9.274552
10.504476
12.667241
8.894559
11.297636
9.005624
10.314818
8.583984
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12.188971
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9.091431
6.492099
8.149106
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10.105232
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9.293524
11.220197
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8.246841
7.826903
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7.933383
11.554556
9.813985
7.886280
11.424846
6.359084
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6.288706
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7.482284
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7.295332
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6.744806
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6.430992
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7.390430
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8.430110
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8.366093
5.088949
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6.260759
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10.757028
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8.418331
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10.709150
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5.163198
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10.905084
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10.218634
6.810555
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8.865459
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7.781320
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6.857585
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6.048967
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7.131397
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6.236961
6.708655
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7.387387
7.307672
5.315424
7.357356
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7.972442
# Label of molecule (69)
0.154265
# Number of Instances of molecule (70)
5
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8.486465
5.452803
5.549608
7.379620
5.732841
6.320872
5.879574
5.558519
8.364391
5.122593
7.383038
7.373516
6.890347
5.813654
8.799829
8.369152
5.234169
8.967925
6.489456
8.767113
8.423719
6.337962
8.727561
6.022034
8.462294
9.001007
6.868740
5.901425
5.253578
8.465468
7.253761
6.463088
5.457442
8.114383
5.730888
7.306986
8.148442
8.359020
8.672384
6.475051
8.155766
6.878140
6.355785
5.374554
5.957335
5.319498
6.589190
8.100101
7.003876
7.836177
6.452589
7.528062
7.346294
6.833460
6.031556
8.561541
8.444716
5.303385
6.018860
8.895901
6.030702
7.118625
9.057405
7.685537
7.900632
8.662862
6.700278
6.482498
5.511277
7.172094
7.864498
8.823634
6.258614
7.161962
6.649739
6.841395
7.307596
8.316172
5.400800
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5.854427
8.210089
6.886929
7.245827
6.692343
7.246071
7.472762
8.202399
5.956847
5.174718
5.157384
6.361278
7.926389
8.576434
6.355052
8.067019
5.752129
6.679281
5.292642
8.417127
6.992645
6.888028
7.900266
5.536912
6.828333
7.398907
6.068300
8.878567
5.830500
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6.147526
7.916379
7.159886
8.358043
5.564745
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6.070254
5.391156
5.432783
7.065035
6.591632
6.727134
9.025910
7.589831
6.267769
7.997925
# Label of molecule (70)
0.088474
# Number of Instances of molecule (71)
3
10.453841
8.809739
9.271825
10.621304
12.381012
9.237538
11.148460
8.931840
10.484796
6.799912
6.177580
10.088172
9.033540
9.744574
11.710979
9.242718
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10.539773
8.862404
11.254658
11.012059
6.989026
10.849509
8.616404
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10.165398
7.765273
9.539203
11.254212
10.743300
8.299876
7.872623
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8.168282
8.267807
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10.030074
6.757626
8.165284
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7.307172
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8.459135
10.403174
6.137016
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9.991877
9.914917
5.858341
7.493924
8.395409
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9.447042
7.078271
9.620235
6.363953
7.316212
8.621792
9.661135
7.409699
7.339888
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7.025731
7.731655
5.595144
7.792206
7.293127
9.773018
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7.906603
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6.406763
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5.473638
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7.568717
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11.303768
10.348608
10.968158
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8.266249
6.537003
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7.728033
5.734341
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10.344017
10.781615
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6.845785
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8.270590
9.535825
7.501992
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6.967987
8.433443
6.108595
7.956163
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7.060163
7.458528
6.459068
6.852896
11.480093
9.525257
8.621181
6.779340
9.865990
9.801804
8.486943
8.690405
7.540727
7.946096
9.537682
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6.859349
10.288128
8.399377
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10.255604
7.526405
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9.693096
9.935507
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9.326971
6.905941
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8.818094
5.401608
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6.593295
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5.531129
6.190695
7.872509
8.922224
8.346522
8.513031
7.400082
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8.805033
6.724647
5.621586
6.789834
5.777718
8.625340
8.121052
6.697424
6.575106
6.753334
7.244072
7.952712
8.456145
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6.322047
5.713141
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7.451353
6.095111
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8.492401
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5.198721
8.347499
7.078295
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8.197714
8.305017
6.166402
6.570589
7.983474
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8.275597
5.047594
5.935560
7.685858
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6.051775
8.800272
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7.331111
7.148854
7.660588
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8.467742
8.308924
8.055620
7.911206
6.837199
5.882092
7.622135
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6.858562
8.317591
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6.394070
6.329005
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5.569094
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7.131031
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8.679052
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6.921674
6.979537
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7.713569
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6.255150
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6.593539
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6.246971
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4.955061
6.910321
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5.659062
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6.007218
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5.712653
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5.313959
6.058367
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8.216147
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5.768929
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8.545259
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8.695288
7.751167
7.993362
8.341762
7.116993
7.609684
6.148213
4.905866
8.120075
7.219413
4.962020
6.909467
7.155812
8.070513
8.307703
7.914014
7.188528
7.170461
8.057573
7.319758
6.800821
7.949293
7.062792
8.219565
6.637242
5.782968
7.403623
6.059343
5.558351
8.008621
6.290063
6.977096
7.879955
6.305811
7.985061
8.696753
5.073473
5.322748
6.125629
6.852336
5.303949
5.416746
4.819193
7.616031
6.176168
7.388241
4.886456
5.506592
8.068560
5.082018
7.628483
7.251885
7.428037
5.731208
6.492584
8.581515
7.399960
7.916334
7.011155
4.823466
5.169668
5.018784
5.389035
6.182272
5.389645
8.041093
6.114277
6.569124
7.067553
7.667547
4.967635
4.863750
5.290521
5.444700
5.804941
7.480529
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5.952284
5.488647
7.113453
7.314264
7.841746
7.342341
6.537019
6.406644
5.616825
5.503296
6.336207
5.927381
8.032060
8.549654
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4.982162
4.774636
5.338862
8.649388
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5.485717
6.848796
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5.556642
8.700537
6.314722
8.348109
7.075610
7.617496
8.111408
5.924085
6.144673
# Label of molecule (71)
0.118630
# Number of Instances of molecule (72)
4
10.553328
9.013622
9.598438
10.850689
12.070669
9.164760
11.036359
9.428265
10.366575
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10.432220
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7.538285
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5.903638
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7.680328
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11.397249
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5.775537
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10.491598
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5.708060
8.108402
5.408002
5.959044
7.634754
9.114902
9.038972
6.203925
8.569109
6.653645
8.908475
5.268349
5.508225
9.091098
8.645283
6.779260
6.019349
8.090701
8.428114
6.630207
6.518021
6.253365
8.010254
7.946043
7.632801
7.124973
7.768181
8.601459
6.031434
7.445662
6.148381
8.170537
8.082278
5.516526
5.887509
7.179418
8.726341
5.558519
7.380963
5.539842
8.936552
7.938719
5.574755
9.037019
7.136814
9.138340
8.756859
6.746422
5.957457
5.337931
7.619861
8.256722
5.701346
7.496200
8.974883
7.571398
5.896542
5.793023
6.486038
6.565142
6.309030
7.318216
6.805750
8.870266
8.792016
8.874416
7.481918
9.067293
7.346171
8.774194
9.014069
# Label of molecule (72)
0.113191
# Number of Instances of molecule (73)
5
10.747862
8.939759
9.409559
10.252898
12.274991
9.121463
11.444473
9.477165
10.124240
8.801568
8.530659
9.799184
7.998553
9.631713
9.444175
10.706385
11.629471
9.245952
11.019150
10.351333
11.719681
8.214983
10.409864
8.456168
9.388980
9.776752
9.683564
8.480079
9.371792
7.919189
9.575142
11.358388
8.747454
7.006335
8.162512
8.511856
7.769357
7.911380
6.151124
10.570355
8.647545
9.268700
9.432368
5.462147
8.450791
9.762636
7.951177
6.136080
7.613811
10.666915
7.862530
6.448487
6.978090
9.417113
6.009132
8.319794
7.221957
9.926414
6.151436
7.485113
8.972524
8.087449
8.052480
6.645628
10.153047
6.926185
9.282800
5.552174
8.438217
8.837074
10.237893
7.930405
8.332749
6.098949
7.760658
6.259144
8.822692
9.185237
5.964187
9.126180
8.035679
8.571732
9.020677
7.305511
6.882620
8.341793
7.877200
7.147514
7.719749
7.363223
10.018942
9.465365
7.809037
8.545881
11.053194
7.978106
10.864486
6.355439
8.635838
7.498374
5.598543
7.240562
5.480479
10.146823
8.318713
8.052877
6.786581
7.912411
7.520599
7.532592
9.444288
10.523454
5.839547
10.720905
5.867324
8.386465
9.047488
9.270566
10.835332
10.783024
9.132319
9.293890
5.322297
7.214521
6.950018
11.286257
8.406842
7.381002
8.776844
6.721171
10.144012
5.478059
9.224151
8.192720
5.959915
9.250726
9.181468
10.955405
8.349193
8.749166
10.428788
7.410730
9.659281
9.815287
7.173536
7.695322
6.359768
8.019433
10.413047
7.181898
7.575524
7.898113
6.418812
7.934946
9.613836
7.228775
8.978792
7.536276
10.704170
5.687480
8.663688
7.797614
8.673886
8.919324
6.882924
8.776805
5.861812
9.064180
6.033815
7.006256
7.998474
5.675771
7.061678
8.117862
7.515427
7.258461
5.795770
7.997864
6.268685
8.388134
7.718802
6.803003
8.142521
8.065981
7.406171
9.239235
7.230750
6.713645
9.296854
7.849055
8.541337
8.223945
7.425092
9.044038
7.599536
5.940184
9.488998
7.751152
9.324320
9.441877
8.628620
6.553850
8.552690
7.007721
8.291086
9.199316
8.589190
8.635823
7.556078
8.347362
8.151677
8.491775
8.297800
9.437727
9.091891
7.662526
7.556932
6.548967
7.264321
8.089175
8.499954
8.124332
6.917875
6.554460
9.337626
8.439772
8.986663
7.601123
7.581103
6.689840
5.653798
8.253365
7.007965
9.565294
7.564379
9.418806
8.714682
7.197424
8.060244
6.844996
5.629139
6.345714
6.815088
8.506424
5.860714
6.701682
9.242164
7.294107
8.259590
8.185492
8.049867
7.887020
7.562792
7.108798
7.322062
8.677450
8.501785
9.081759
7.495529
5.625477
6.244636
8.534867
7.611744
6.919462
8.550127
6.734642
7.216346
9.314188
9.007538
6.165899
8.283151
9.025971
6.736839
9.156346
7.535447
6.056032
5.926389
6.617573
7.541429
6.818751
6.579363
8.780236
8.957610
7.950133
7.847835
7.793634
8.296091
6.169927
7.327067
8.070498
7.590258
9.075167
5.685781
6.245979
8.333323
7.736137
8.007874
8.631550
8.065981
5.974242
7.219153
8.033753
7.987365
7.193152
8.975799
7.817194
5.963988
5.639637
7.388348
7.082797
7.312906
6.970122
6.956938
6.840114
7.732475
8.996185
8.092349
7.045198
8.756798
7.484176
7.597461
6.381603
8.109439
5.886227
7.485519
6.658345
9.329447
5.874264
7.509079
5.699942
9.046113
9.554552
5.651692
5.610431
5.191595
8.615528
7.501602
6.005463
5.889126
7.244026
7.629414
8.730888
8.581957
8.121372
7.868801
5.992035
7.782739
6.978881
7.370373
5.321482
5.846278
8.239906
5.641316
6.244728
5.974090
5.855922
7.860134
8.754082
7.931059
7.633930
6.838374
8.459029
7.847682
8.930845
6.007050
7.294076
5.482864
7.590960
5.800867
6.654164
8.324137
6.000214
5.815271
7.835719
7.896146
8.132359
5.113468
6.657460
5.658040
5.462233
5.055361
7.135624
7.859523
7.622578
5.026307
5.088687
6.734245
7.675558
7.437635
6.547838
7.403211
5.878994
6.377056
7.844996
5.864834
5.818201
8.282388
6.257912
5.445387
6.780877
7.012574
8.083895
5.085879
6.248024
5.693197
7.017335
6.839351
8.378948
7.710715
7.709006
7.954619
8.361003
5.228217
7.377819
8.920469
8.504318
7.602557
6.353984
6.846187
7.951201
6.071871
8.425825
5.552690
5.878750
5.094058
5.866543
7.750145
8.069857
8.706961
6.016572
8.675832
8.723441
8.288003
6.293558
8.568163
5.385083
8.086581
6.509262
7.352062
6.868038
6.905515
5.364574
6.909909
8.041292
8.305826
6.000336
8.313272
7.360851
5.708701
5.476760
5.390820
5.017640
6.773675
5.058657
6.007416
5.577715
7.421888
8.179479
6.428449
6.989013
7.885403
6.959838
6.145726
7.831568
5.153386
8.157506
8.539354
6.683706
6.193335
7.419813
6.749504
5.481521
8.318278
6.717032
8.136143
6.744133
7.079958
7.830348
8.697195
8.542650
6.058931
8.769097
6.824458
7.085330
8.928892
7.992706
7.770287
6.795038
8.168249
7.313486
8.199499
7.754662
6.796991
6.352153
8.202063
6.393414
7.510514
7.424574
5.775796
7.921369
5.911298
6.165090
8.132801
5.923017
6.809519
8.774911
6.906690
6.758858
8.295160
8.464354
5.930708
5.605747
5.166768
8.427732
8.486816
5.837443
5.408231
7.414151
8.704596
6.863109
8.926893
5.609287
6.985427
6.522156
8.755135
6.761055
7.824198
8.907727
8.086779
6.419614
8.404416
6.494324
8.524781
6.172903
8.341426
7.447478
6.914624
7.746803
8.950209
8.985244
8.138539
6.848460
8.410398
7.670995
7.246300
8.627079
5.205588
7.511078
8.296381
8.626347
8.210685
8.730842
5.282739
9.104144
5.802164
6.106738
8.523927
6.594668
8.368282
7.728004
5.886151
8.588015
8.591189
7.061235
6.219413
7.200644
5.878094
7.197104
6.377499
7.715064
7.316248
6.150441
5.200583
7.859722
7.525483
6.090014
5.832804
5.707312
7.785012
7.373257
5.751381
8.064928
8.808115
6.260552
7.880840
5.231223
5.540681
5.184469
8.169057
7.996200
6.357967
6.448546
8.998917
8.757698
9.034562
6.230277
5.810587
6.630070
7.863140
7.764626
8.310663
6.420835
8.297113
6.581729
7.640477
7.348598
7.489959
6.674383
6.882519
7.378384
9.110614
8.470092
6.276299
7.049272
6.804514
7.482757
8.520875
6.669744
8.680548
8.520020
7.537080
8.753914
5.194479
6.318293
6.068285
7.576266
8.807627
5.484893
5.488800
5.717933
7.791604
6.617862
5.201193
7.480438
6.559511
7.481292
6.992264
9.040910
6.892773
6.110523
5.726234
7.225181
6.443052
6.722236
5.749184
6.773751
8.882458
7.302698
8.377560
7.973128
6.075976
5.752724
5.849895
6.530580
6.654363
7.461272
7.112995
7.566256
7.358608
7.183676
6.819529
5.596347
5.533479
8.099597
5.039415
6.819987
6.058977
8.430754
6.591464
7.854076
6.964156
8.601657
5.312250
6.819620
7.316706
8.201621
7.993484
7.394467
5.894665
5.464110
8.850810
7.291437
5.597781
6.758583
6.782876
8.770608
7.420469
9.019028
8.404752
6.453642
6.636876
7.165822
7.227958
7.321345
8.572970
8.394620
7.366146
7.762276
7.337214
5.206046
6.137349
6.553499
8.889508
5.054796
7.941115
6.645421
5.818857
8.489349
7.782418
8.625706
5.209342
5.658696
8.821390
8.738136
8.965072
7.062914
8.318567
8.332118
7.971389
6.419095
8.356410
7.615665
5.468627
7.520569
5.707160
6.588290
7.009812
8.962752
5.225333
6.029191
8.379971
6.611484
7.138112
7.414487
6.852092
7.688787
8.609104
8.639500
7.152882
8.350185
5.950819
6.420316
7.515320
8.629490
5.861095
6.250877
5.191763
8.625828
8.056597
6.788980
6.803262
7.808054
7.680853
7.546815
6.899091
7.311090
7.860302
6.762001
8.103351
5.099231
6.784341
6.322901
6.221335
7.872387
5.682501
6.623325
5.682989
5.588260
6.076922
8.222495
8.696387
8.478484
6.681188
7.183767
7.487121
8.429899
8.324671
8.969832
7.000046
8.610080
5.273309
7.765206
7.434751
7.208182
7.326106
8.105670
5.993789
7.169485
7.057421
7.685369
7.215873
5.795785
8.584933
6.220603
5.270501
8.089557
8.234703
7.241752
7.588321
5.713385
7.480529
5.690313
7.202200
5.443480
8.531343
8.196371
5.174673
8.988998
8.941389
6.909345
6.486358
8.053911
5.620365
5.759774
6.759316
8.517060
8.615696
8.025468
5.192984
7.602359
7.043626
8.076006
5.084704
5.918348
7.543886
8.174398
5.311762
6.238426
7.633122
7.206107
# Label of molecule (73)
0.134549
# Number of Instances of molecule (74)
5
10.590679
9.006836
9.460359
10.329321
12.621983
9.102768
11.110510
8.937529
10.388749
8.736255
8.453052
10.205752
9.550667
9.817704
12.501702
10.739401
10.352206
10.360493
8.597622
11.241368
11.779533
7.206324
10.356988
6.992741
8.195475
12.212969
10.731516
8.730394
9.368913
9.234314
11.965537
8.081579
8.720786
8.821447
8.622120
9.630468
8.191990
6.125984
8.250266
10.888146
6.229921
7.364068
8.117550
7.387606
8.540306
8.950817
10.144823
7.561307
10.855178
9.554467
9.284082
5.443317
6.224445
9.199724
8.582284
8.957254
5.347732
8.501887
6.969798
5.580799
7.683461
10.266187
10.063569
5.717981
9.766621
7.508075
9.731853
7.974068
6.628476
8.946843
9.915684
6.483046
9.029770
8.044818
5.943979
8.000472
9.146688
9.400148
6.644152
9.306668
7.852345
7.643948
7.111211
5.676076
6.278141
7.232446
8.998743
7.045202
7.793068
7.047603
7.754400
9.102665
11.114114
7.798911
11.064323
8.629725
9.245065
7.009862
7.262945
10.836334
5.318210
7.980081
6.776536
7.924443
10.228094
8.444195
5.379076
7.825841
9.742267
5.501537
7.132902
10.074638
7.331612
11.023976
5.719140
6.258911
8.839708
9.516713
9.037164
10.517510
6.727552
9.439591
8.091648
9.211130
6.457827
8.293950
9.120752
9.866800
5.636168
6.454835
10.194673
7.077452
8.018388
8.155293
6.454992
8.736878
7.066343
8.272228
6.547889
9.893589
8.394717
7.450762
7.772612
7.118795
6.676208
7.230454
7.266868
5.918562
9.761575
10.033857
9.254690
9.791500
5.968501
11.781914
9.808380
7.250349
9.126248
7.424699
9.015823
8.254380
5.840772
8.270695
7.060395
8.511917
9.784241
7.531261
5.256447
5.313822
7.757866
5.168310
5.314798
6.556658
6.966582
8.238838
5.452254
8.504959
6.905057
8.514481
5.685659
8.726035
7.364055
8.237007
6.651387
7.562426
6.587909
8.032777
7.960021
5.074801
7.298502
5.663808
5.356182
7.695975
5.209571
6.428114
5.557848
5.969970
5.909299
5.582507
7.650563
6.753563
5.985229
5.164647
5.910642
5.252174
8.265084
5.588488
6.934355
8.268258
7.051424
6.387463
7.945494
6.033570
5.222510
8.482009
5.157933
8.004944
7.075472
8.344798
7.069124
7.993591
8.786950
8.439772
5.556017
6.007202
6.365001
6.309702
7.653005
8.176824
6.970367
6.686789
8.882534
8.144841
7.476852
7.002106
7.017121
7.289468
6.151860
8.668294
5.144627
5.159520
7.327067
8.510575
6.914579
5.495834
8.936857
6.721580
8.837733
5.212745
8.799646
5.714103
8.516312
7.716239
7.515427
8.247993
5.678823
7.932432
7.856258
5.204321
6.894436
6.422742
8.523270
5.384625
6.841823
7.959288
8.145940
5.706900
9.008026
5.936522
5.399640
6.176397
6.691549
7.994324
7.113681
8.003845
7.186193
8.225288
6.247932
7.247597
8.017884
5.345317
5.610584
6.354747
8.113224
8.198920
5.194067
7.974303
6.770653
7.974425
9.002655
5.419782
5.312845
6.507340
5.246681
6.155644
8.293405
8.043519
7.780450
6.680563
7.132481
7.837458
8.655721
7.186071
7.058382
8.962981
5.668325
8.362255
8.227729
8.709067
6.772240
6.727195
5.900632
5.936766
7.234291
6.855617
8.546342
6.772485
5.407941
6.879543
6.752220
8.011048
8.998505
7.638844
7.813410
7.605762
5.694449
5.854244
8.876797
5.619251
6.043336
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7.357280
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6.970428
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8.486099
7.547349
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6.030213
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8.653584
8.161138
6.768273
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8.004151
8.884915
8.984893
8.752586
6.724326
6.937834
7.466414
7.516587
7.218116
5.481979
8.354747
6.238350
5.893002
9.041414
8.170293
7.679922
7.259621
7.556261
5.969665
6.379955
6.241401
7.430280
5.652028
5.274331
8.070925
7.443098
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9.146031
7.406842
8.349376
5.357585
8.224006
7.438581
7.707633
6.005066
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5.725639
7.287088
8.263558
7.718497
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7.236183
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8.381603
5.203650
8.499893
7.587878
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7.397687
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6.218940
5.908506
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6.688925
6.695517
7.641346
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7.228492
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6.831996
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6.016495
5.078845
5.974013
5.855846
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5.358272
6.318506
7.160329
8.721168
5.954726
8.191733
6.333399
5.342647
7.199759
8.274499
8.802225
5.761849
5.553346
5.783944
8.671972
5.623051
5.732795
8.721656
4.960067
8.377895
6.020402
8.706275
5.697150
6.551912
5.626469
7.768624
7.770333
6.910932
4.981674
6.481964
6.383084
7.899365
7.834422
8.803079
6.008927
7.727973
8.027177
4.999496
6.710608
7.484436
5.828990
8.038163
5.701788
7.642644
8.695776
8.808817
8.027421
6.345851
5.336421
5.559450
6.233543
5.837168
7.959304
4.917829
6.907392
7.414853
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5.872448
7.957106
5.284539
5.207022
8.090777
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7.686468
7.967849
7.948317
7.302789
7.669866
8.730567
7.643254
7.439146
7.891675
6.420072
8.771950
7.388363
5.812632
5.707038
7.740547
8.103107
7.668767
5.011093
8.387783
8.127644
5.588626
7.684759
5.193472
8.573946
6.236229
5.249870
8.447844
7.840281
5.351314
7.566591
8.756447
7.946486
8.563692
8.804666
8.257286
8.361293
8.854595
8.095172
7.922681
5.197623
5.043809
5.737678
6.322291
7.649724
7.673528
5.836314
7.222709
5.546510
8.665258
6.240257
7.396786
7.898999
5.127064
6.664586
6.020402
6.312891
5.682989
7.865917
7.028733
7.145436
5.700079
8.746803
7.809885
6.277367
7.791452
6.265526
5.607669
6.378445
5.964492
5.025987
7.012497
# Label of molecule (74)
0.151245
# Number of Instances of molecule (75)
4
10.297854
8.791753
9.539822
10.817817
12.654750
8.955488
10.972580
7.701923
8.152968
7.795568
6.488021
9.976915
9.466240
9.598224
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10.418662
8.856806
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8.735382
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6.753861
8.480966
8.865937
7.238385
10.135483
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9.093943
7.999179
8.234458
11.220496
8.441443
8.285480
9.197568
8.090250
8.485184
9.058046
6.222965
6.227011
8.594348
7.199431
9.203377
11.372597
6.915878
7.631434
10.864512
8.906791
9.306766
8.853737
9.637155
11.228029
4.984582
8.772316
8.657972
6.076433
8.246068
5.696775
11.256890
7.706820
7.463639
9.353717
9.009724
7.939209
5.181629
10.094217
6.374765
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6.237427
10.324060
7.565402
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7.593428
5.691691
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11.106543
8.052802
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7.318801
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7.297331
7.074304
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6.964544
8.386767
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9.223525
10.390839
7.054244
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6.577602
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9.285476
10.678384
8.625215
9.131258
8.245484
8.494475
7.168325
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5.776291
6.890085
6.166702
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10.248595
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7.079028
7.647649
8.187704
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8.046220
6.458037
6.582675
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5.643681
9.254631
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8.267663
8.239463
6.441313
7.306452
5.764290
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6.527009
6.956954
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7.232475
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7.155202
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7.646306
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8.504608
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6.518464
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6.672765
6.442900
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7.458068
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6.269677
6.983810
6.741127
4.973495
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7.068285
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8.596286
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6.487945
6.946455
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7.071337
5.384884
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6.116352
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5.476684
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6.374172
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6.501740
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6.847819
5.890881
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7.934278
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6.005631
8.248741
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5.345332
8.419279
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5.615604
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8.539888
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8.102374
6.474151
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8.397794
8.710791
6.320704
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6.232566
6.791543
7.961257
8.153768
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8.047197
6.945967
4.985580
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6.986862
8.338466
5.018540
7.591372
6.342799
6.363430
8.371548
8.671117
8.823588
7.177175
5.845103
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8.426725
6.218772
8.306726
8.199057
8.396207
8.414151
5.748421
8.383999
8.113727
6.400174
5.383541
8.053789
7.794259
8.717017
8.175130
8.880840
4.993393
8.490570
6.340968
8.854595
7.847484
5.814829
5.276605
5.175527
6.773354
6.376858
7.877270
6.579623
6.005997
6.198019
5.632817
7.965407
6.345729
6.367824
6.871990
6.203024
8.491302
7.645451
6.528596
5.997085
8.334925
8.802591
7.807810
6.678503
5.592288
6.583895
8.124836
6.802408
5.144032
5.160146
7.692083
5.424314
8.462981
4.947615
# Label of molecule (75)
0.098402
# Number of Instances of molecule (76)
3
10.495033
9.031172
9.644003
10.467061
12.075982
7.066717
10.989102
8.339270
7.947166
7.579718
7.321511
8.080990
6.801089
9.703130
9.802500
8.281182
11.878118
8.570998
10.496416
10.266192
9.016773
9.076295
11.234683
8.556492
8.760615
7.754222
8.228482
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9.124127
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10.119634
9.380729
8.263296
9.130059
8.628543
7.717142
6.225393
6.499162
5.638181
7.581292
7.920100
6.341197
10.240058
7.232463
7.066110
10.815585
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6.122347
8.369903
7.850700
10.083373
6.432684
6.981736
7.293674
6.688075
7.782133
5.833030
9.567475
8.042815
5.552976
7.538504
8.454376
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8.027485
9.491754
6.003280
7.092911
5.876173
6.945644
8.262031
9.275166
6.715331
6.965148
7.794940
6.336551
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8.808610
8.333377
7.628087
7.820108
10.130429
7.088208
6.211823
8.261288
8.318030
8.400791
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5.260948
9.520305
8.277206
8.427906
9.756983
8.887135
7.333955
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11.556682
10.212358
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10.110319
7.538482
7.088414
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5.327191
8.893705
10.658086
7.934806
7.684382
6.156976
10.673271
7.633383
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6.186265
10.207062
5.745920
6.324242
8.117236
10.066035
10.552199
8.847580
8.059412
6.719344
8.234802
7.771896
8.631236
10.878735
7.575880
8.717012
6.977663
7.858844
8.593416
8.071928
9.380321
7.095898
8.274830
8.149347
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11.788412
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7.996967
9.586214
9.235991
7.032942
7.914374
7.752697
6.288277
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10.067947
8.394178
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6.395007
11.239137
6.558579
7.862177
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5.620447
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6.006678
10.335947
7.450289
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6.517853
5.042955
8.524873
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6.266259
7.001511
6.982101
7.832591
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5.605228
8.696875
7.365291
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4.903058
5.733528
5.771004
5.060289
6.683996
4.959334
8.100177
5.271111
6.637120
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6.038835
8.388760
5.149403
5.168447
8.279870
7.640690
6.968551
7.299493
5.947523
8.592257
5.608524
5.972793
7.953688
7.089160
6.373196
6.391751
7.155934
4.911847
7.870800
7.358211
8.198202
8.514740
7.896680
8.695532
5.903943
6.226829
5.557375
5.070055
5.100818
5.289056
5.513306
6.587436
6.748085
8.101398
8.211509
8.534883
7.245170
5.055773
7.986892
6.649205
7.794504
7.331721
6.906415
8.282067
8.694189
5.025620
6.228416
7.838694
5.434446
5.992813
7.356014
4.865703
5.475341
4.774270
8.156453
5.161977
6.577914
4.985336
6.523347
7.287530
7.565249
8.539277
5.056139
6.845988
8.388638
7.082690
4.730811
4.916730
6.373196
5.016221
5.439085
5.008896
5.517823
5.477172
5.268670
4.914167
5.725837
8.656713
8.401944
7.833567
4.839091
5.828257
5.505005
7.152272
8.352382
6.463652
8.486297
5.238029
7.682562
5.807749
7.494812
8.638035
5.867321
6.290063
8.037919
8.048662
7.568911
8.148030
8.089434
5.434568
8.256676
6.634434
5.066271
8.670995
7.444761
7.188040
8.546236
8.083331
4.860454
7.938185
8.603732
7.262139
8.415983
4.921003
7.637394
6.525056
4.859111
5.382443
5.564821
7.402768
5.982192
8.540620
6.259789
8.522919
5.256096
7.185232
7.106006
5.268303
5.772347
5.487793
7.544130
7.583193
6.363186
6.397610
6.484649
8.302087
9.233421
9.147114
7.553560
6.970290
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8.154164
8.854625
7.918195
7.716285
6.435972
6.670232
7.474456
6.714911
7.279626
7.885968
9.174581
9.250389
5.487579
6.624699
6.012009
5.551912
6.722602
6.126270
9.436552
8.995743
8.001816
5.804727
6.936964
7.954573
7.713233
6.361751
7.586276
9.392972
7.531587
7.828471
8.921400
8.076037
6.607486
9.413114
8.534669
9.273217
6.404599
6.027757
5.751625
6.827219
6.560366
6.370052
8.768441
8.466796
6.145436
7.434050
8.626347
6.235282
6.696722
6.326106
7.396573
7.912946
7.397549
8.261223
5.951949
7.304163
8.783578
7.612156
6.697943
9.269433
7.344569
8.890759
8.640996
7.372524
9.401883
8.531373
6.167287
6.021287
6.632511
8.356197
8.907605
8.974380
5.618320
5.593539
6.062792
6.090869
5.791910
6.327204
8.565432
8.197501
6.157643
7.249351
8.452513
5.946821
7.159505
8.593997
8.823984
6.543641
8.073962
7.124714
7.761696
8.213370
6.299738
8.051988
5.585482
6.287164
6.922803
8.755379
6.819040
6.780099
8.927381
9.185568
6.242241
9.335231
8.432981
5.820719
6.404355
7.411100
9.328394
8.053087
7.973006
7.585910
5.678747
5.879192
8.294671
7.854106
6.282891
7.771218
5.539949
8.789315
5.751503
5.601474
7.811502
9.450468
8.486450
5.498566
8.585940
5.904950
5.931196
5.505768
7.867901
8.243889
9.471709
6.921216
8.430418
5.963301
7.358974
8.191519
6.514832
5.590121
8.031114
8.235954
6.367611
6.423032
6.208426
8.074328
5.988327
6.266533
6.137623
5.635411
7.462615
7.032060
6.358089
8.619877
7.256798
8.081164
8.368038
8.292230
7.848125
9.185934
5.562777
# Label of molecule (76)
0.087583
# Number of Instances of molecule (77)
4
10.565585
9.064789
9.552417
10.662797
12.433318
9.064646
10.821724
9.386834
9.101152
6.326072
6.685890
7.872255
7.103718
7.819550
10.693992
10.744742
11.111284
8.603048
10.388599
9.753581
11.062356
8.370035
10.048351
7.764215
8.137341
10.781516
8.666317
6.495555
6.862673
9.989753
11.651122
9.556704
11.017088
7.288369
7.725041
10.109373
6.563106
6.901834
8.345198
8.328879
7.441287
6.811673
8.347312
6.392722
6.664520
10.355071
8.470616
8.614596
7.367740
9.386453
10.068399
5.321795
6.684167
9.577059
7.679667
6.830709
6.821644
8.789593
7.966743
6.115139
6.505111
10.889161
9.899385
7.905271
9.663996
6.171307
8.105705
8.246899
9.351629
6.749477
9.701154
8.234017
7.558964
8.184464
6.564089
6.463342
6.913438
8.608418
6.633849
6.482381
9.213875
6.017131
8.176378
6.872375
6.284180
8.767279
8.413889
4.882930
9.638641
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10.249502
9.699798
8.098180
6.048318
11.090095
10.694758
7.811999
7.719788
8.911561
10.843310
6.130385
6.444389
5.409480
11.134010
9.370401
7.706399
6.124705
8.303033
10.195235
6.415831
9.048255
7.311214
7.059157
8.007762
7.914927
6.199653
10.437765
8.715117
7.837949
11.217655
6.235863
8.464827
6.509230
7.724305
8.213056
11.289663
8.642397
10.134200
7.891649
8.694965
10.579603
5.961015
9.053551
5.363497
5.853134
7.974652
9.928605
11.342819
8.855923
10.302005
9.099403
8.239221
9.539486
8.413115
7.312239
8.904988
6.196633
6.265733
10.058359
8.175361
9.215461
10.350121
7.997687
10.470808
10.034463
9.118822
7.002773
9.185956
7.830553
7.370209
5.756322
5.809911
9.702063
8.073458
9.379793
9.515639
8.986953
5.642857
5.273339
8.898328
6.436460
5.953536
7.471038
6.505921
8.125233
6.215751
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7.712012
8.632206
8.191397
6.915845
6.536561
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6.557314
5.232688
7.324915
6.812571
8.129139
6.344661
5.824015
5.880413
5.761513
8.599734
7.628513
7.003494
7.806131
5.709143
7.866680
5.091693
5.996261
6.596744
6.005417
8.076037
6.639470
7.458342
7.646580
6.963576
7.987167
5.407987
7.189901
8.418332
8.659795
5.085467
7.239463
8.238273
6.002487
7.598117
8.626347
6.107227
5.244285
5.175436
6.923414
7.995346
6.337580
6.908643
5.328761
8.581057
5.351955
6.951247
7.788797
8.073962
5.298608
8.555544
6.240898
7.809915
5.257714
7.320765
5.847087
6.994339
6.687689
7.025712
6.094775
8.969497
5.786905
7.423917
5.640538
7.379727
6.786813
5.373684
8.770394
8.611209
5.049089
8.679693
5.351833
8.878307
6.842235
8.019272
6.154836
6.335017
6.673284
6.332209
5.412748
6.584658
5.048967
7.043413
8.502441
5.961470
7.541841
8.498657
8.614383
6.962600
8.035386
5.985519
6.292901
6.202689
5.024674
8.715461
7.715674
5.266137
5.846843
5.140767
7.592135
8.834971
7.714454
7.985214
8.553591
8.461913
6.430967
8.356563
6.910352
8.370357
5.659459
6.323786
8.651738
7.650365
5.621494
7.328700
5.562044
7.228843
8.099963
7.807474
7.330287
7.988632
8.622806
7.399991
7.525483
8.409909
8.700568
7.118976
7.315394
8.111560
6.994095
6.855419
6.801584
5.664220
6.286187
5.594882
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5.053850
7.133992
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6.273980
7.166341
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5.293481
8.672491
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7.047441
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8.510254
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6.611637
6.711982
5.137715
4.814463
4.952040
8.252068
7.489959
6.557680
8.665532
5.220847
5.279443
7.973861
8.627445
5.144307
6.500061
6.760201
8.484985
5.576205
5.119404
4.881848
6.536805
6.309259
6.268487
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6.324763
7.077471
6.078906
6.089770
5.310816
8.626347
6.543764
8.340327
5.015397
5.023942
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6.847362
7.991562
5.091449
6.044359
6.338557
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6.823679
7.949080
6.587222
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6.677435
5.131245
6.462584
4.929945
7.603000
7.874126
7.909894
7.580172
7.691626
5.979171
4.734504
7.615085
5.315699
7.291589
7.067461
6.302179
6.636540
6.248466
6.382870
7.666601
7.353114
4.825694
7.948347
7.652684
6.569155
6.257744
7.576998
8.496704
8.652348
7.906720
7.561617
7.685034
6.959670
5.654576
8.661626
4.873913
5.306543
8.193106
5.021134
8.145131
7.051469
5.588412
6.891064
6.971267
7.674047
6.493103
6.030442
5.269066
4.719855
8.381954
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5.911908
4.987564
7.186728
6.866527
8.079333
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6.703070
5.256615
4.816660
5.463775
6.147633
5.864544
6.181692
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6.236747
8.059191
7.351039
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8.165151
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7.062822
7.473846
5.856975
7.308435
7.771462
4.846568
5.865886
7.384121
6.886303
6.930006
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6.322443
6.472961
5.090350
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6.328791
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7.035234
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6.041795
7.339076
6.681829
6.111988
5.419950
8.232658
8.803690
5.664190
9.088855
6.468047
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5.317866
7.952345
6.517243
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5.753059
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6.277001
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7.995804
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7.873852
8.075030
7.226981
6.230247
9.007553
6.797037
8.142170
6.986740
5.883923
9.252190
8.472137
5.388668
6.670568
6.183370
5.465209
8.658910
7.848460
5.644536
6.705237
5.770150
5.839488
5.533815
8.639744
6.336573
6.280663
5.809091
8.195395
5.869396
7.323176
9.256462
6.853313
5.277825
7.328425
5.688971
8.561007
6.485260
5.338496
8.450407
6.854045
8.037553
8.695288
6.097797
6.565950
6.580233
8.181722
6.139912
7.496521
8.075884
7.063036
5.704230
7.417539
6.639805
8.400479
6.009293
7.789254
6.868084
7.013474
5.516480
7.562563
7.531800
6.465972
8.636692
8.441740
6.514435
7.450255
8.866192
8.984481
8.865703
7.944655
7.228324
6.910688
5.848521
5.520142
8.893292
7.000046
6.851970
6.169698
6.853679
5.947401
8.047563
6.036149
7.529969
7.556825
7.661809
6.413724
7.179373
7.644475
7.741401
8.398282
5.985611
6.029191
8.285852
7.559877
8.703223
8.982650
5.621586
7.015671
6.730628
7.515931
8.894147
5.273919
6.489288
6.877606
6.551424
9.228996
6.981124
8.636814
8.695410
8.676855
7.401914
8.727393
9.174795
6.731727
7.683050
8.829081
5.295892
6.515046
6.839763
8.458220
7.025559
8.492401
5.996841
7.145192
5.559938
6.834269
8.971053
8.072588
9.137684
7.176077
7.281549
8.549287
7.967971
6.149922
6.466826
8.695288
8.153157
7.066698
8.579440
7.713324
8.476409
8.119709
7.736518
7.120411
7.932814
5.488525
5.600101
6.315332
5.877453
7.715155
7.661443
# Label of molecule (77)
0.102434
# Number of Instances of molecule (78)
3
10.470595
8.891784
9.648475
10.293013
12.624759
8.753273
11.254886
9.168363
10.626714
8.648583
8.812561
8.342978
7.532907
9.843281
9.995066
8.214567
8.967374
10.936393
9.264802
11.990089
9.262273
7.396611
8.535674
7.115649
8.308823
9.801713
10.561560
9.341088
6.790025
9.590612
8.550471
7.917060
10.586502
9.575146
7.690975
8.922877
6.627235
5.993057
7.274970
10.789457
8.196149
8.590838
10.965776
6.377456
8.160482
10.583154
10.707378
8.876150
10.794266
10.271595
8.427914
7.800850
6.878225
7.687519
6.874635
9.222907
6.731179
7.991911
8.001690
6.423810
7.406573
11.110918
9.381105
5.161831
9.328665
7.807506
8.414996
8.436458
8.050483
7.803930
11.094006
8.622030
6.836525
7.721555
7.708650
6.339782
9.185065
8.847923
5.624205
9.314452
8.704179
6.101502
7.562946
8.248375
6.673880
7.244044
8.014219
4.964112
8.546095
7.550542
7.394367
10.513937
8.129907
6.141171
11.295919
8.909647
10.656220
6.187985
9.886736
9.107482
5.498865
6.711649
8.003412
8.858798
7.480705
8.289802
5.969849
7.813474
7.769076
6.958297
8.322739
8.498454
7.158595
9.937963
6.650301
6.621269
7.821325
8.159550
8.489678
10.150988
6.885680
7.114131
7.716205
6.602802
7.677288
9.207773
8.677290
7.969480
8.391284
6.493109
7.578925
7.368165
9.494055
6.327353
5.818960
9.611191
8.298998
7.962467
6.376503
9.699933
9.738385
8.994149
8.165451
7.562470
7.522894
6.694945
6.506558
6.039050
10.573839
7.791091
8.941700
7.931805
6.678872
8.097730
9.470232
10.374897
7.834971
7.169347
10.855589
6.024201
8.104083
8.745479
7.781075
6.435893
9.613735
8.209586
9.195746
6.573473
8.872738
7.234993
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8.379681
5.271310
7.777734
6.331400
6.950682
8.613697
7.034303
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6.518784
5.615436
7.544450
8.842097
5.518754
6.267312
5.842372
8.800348
6.991699
9.098331
8.607959
6.546129
8.074374
6.809076
8.839167
7.457045
7.950835
8.146031
8.424360
6.023408
7.637959
5.893155
7.487442
5.727134
8.983947
6.856075
6.881100
8.099521
6.251076
5.712607
8.204627
7.834132
5.660726
6.606800
5.718589
8.829646
6.273171
6.358501
6.534654
6.036225
5.579546
7.166631
5.452223
7.983551
7.178472
8.679006
6.819819
8.861019
5.914518
7.303598
7.793970
9.029847
7.852565
8.638844
7.372326
8.838923
8.462447
8.894345
7.574480
6.619984
6.389874
7.179205
7.146855
5.738609
8.189245
8.533860
6.165136
5.573199
5.390088
7.576678
5.911710
5.300729
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6.399640
7.360485
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5.921354
5.472732
6.672475
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8.088778
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6.254372
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6.373882
7.763451
6.747063
6.597766
8.384686
6.325541
9.131779
6.359233
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6.087985
6.352763
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8.207190
8.104160
5.858242
6.123508
5.557207
7.571551
7.786401
8.931455
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6.181249
6.270119
7.207526
6.621937
8.678274
5.733238
6.586291
9.164861
9.006775
6.054415
5.889737
6.442366
5.417432
8.472213
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5.450148
5.910611
8.108676
6.637928
8.974059
7.389538
8.984313
6.209082
8.928892
5.900357
7.400281
7.780786
6.253883
5.332957
7.563005
6.876949
8.235267
5.957488
7.325816
8.679373
8.135166
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5.501633
8.336680
7.072726
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8.312021
5.654103
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5.853694
6.969695
5.385784
8.601703
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8.611103
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6.308176
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8.359264
7.124607
5.079623
7.556261
7.957640
7.986328
6.948210
7.710440
5.948668
8.328745
4.917753
7.553087
4.845607
5.776177
8.709983
7.701895
5.171056
5.601245
7.564196
7.479476
6.237495
8.078249
4.967315
6.731162
7.545274
7.109226
6.189154
7.353984
6.672933
6.499344
5.495895
7.911252
7.534532
6.255074
5.919736
6.708090
6.878872
5.280923
6.457472
6.703818
4.906644
4.849513
5.573778
5.633351
7.878780
7.220679
7.884640
8.717063
8.592914
5.782647
6.894498
7.328471
8.601581
5.093905
6.664632
5.001495
8.047487
7.195898
7.284646
6.145451
6.991424
6.576250
5.024445
4.847926
8.106937
6.154118
8.041017
5.137608
8.617206
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6.514481
6.083682
7.349467
7.817499
6.088931
7.105564
6.781335
5.600635
7.493393
6.869228
7.954466
8.113041
5.216468
7.144017
6.129826
6.290109
8.112308
6.995575
5.061434
5.906796
6.809046
6.689535
5.761040
5.226844
6.799158
6.681234
7.630360
8.676168
8.083132
5.066561
5.835627
6.914274
6.243110
6.868496
6.799646
7.680410
7.821650
8.534806
5.685232
7.786370
6.879116
7.020966
7.746818
6.633992
7.607410
4.835353
5.422773
7.630604
7.871700
8.419691
5.047151
7.877682
8.558245
7.239113
7.051119
6.508988
7.600208
6.960784
5.533250
8.050539
7.560656
8.091556
7.072237
7.180517
7.642567
7.452010
6.654500
7.261818
5.004913
5.861507
8.597430
7.022919
8.259529
7.409406
6.336375
7.762932
8.019166
5.686819
# Label of molecule (78)
0.113306
# Number of Instances of molecule (79)
3
10.526535
8.748732
9.654709
10.801003
12.608842
8.950331
11.608679
9.150604
10.087207
8.699350
8.553461
10.181273
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8.156822
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6.815692
7.296102
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6.343488
7.109641
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9.505846
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7.573664
9.303764
9.859006
6.155262
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9.953018
8.186894
7.131309
4.927450
9.857234
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6.227739
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10.412910
7.491573
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8.219066
6.552914
9.365164
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7.783551
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10.086074
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8.229473
5.639968
10.984304
7.851091
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9.956522
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6.150894
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10.727941
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8.281335
8.878887
6.698767
6.466338
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5.482910
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5.613895
6.605380
9.131092
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8.725562
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5.946547
7.457091
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7.566103
5.361080
8.265465
8.083453
8.489227
8.728858
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8.405728
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6.820353
8.195639
5.821787
7.673406
6.840617
7.597232
9.127308
6.498566
7.343074
5.685186
6.144063
6.237571
5.419675
7.281060
8.312586
7.554506
6.538118
5.722663
5.367916
8.999008
5.402219
5.945814
5.479369
5.319208
8.211509
7.995315
6.223045
6.890912
8.694189
7.841014
7.768258
8.138386
8.287561
6.373318
5.647465
6.823405
8.843730
7.453795
6.489044
6.075823
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8.084674
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7.167898
6.022965
5.970229
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6.650670
8.876934
9.094226
6.308252
8.316126
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7.578433
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6.367214
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8.886700
7.880688
7.720771
6.441435
8.082476
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6.443510
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6.140522
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7.248955
5.515137
6.183126
8.830302
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6.763955
7.671575
6.514801
5.396725
5.821299
8.576266
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8.292810
7.912671
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5.893078
6.676428
5.612552
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6.724036
6.764687
8.024857
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7.320734
8.656102
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6.684362
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6.505768
9.125599
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7.426572
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8.263512
7.540468
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7.479431
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6.351955
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8.107379
9.257927
9.150502
8.806497
5.671392
8.365078
7.623356
6.471099
5.944472
7.019944
5.781137
7.904004
5.501465
5.422239
7.940260
6.966720
7.620670
6.701941
6.689245
7.107105
8.482391
8.829569
8.506195
7.827952
7.672430
5.739387
7.366878
6.307031
5.865123
7.038377
8.221274
6.538484
6.561556
7.674505
8.211753
6.373318
8.756325
8.943342
5.508301
6.833659
7.409970
6.203391
7.636784
6.074969
8.601169
8.678930
9.172720
6.371975
8.232994
6.722694
6.679357
8.503021
9.169057
7.915845
8.761452
5.907361
5.674688
5.376827
9.111194
8.992172
6.037248
7.658757
8.422452
7.960891
6.241966
5.604740
9.046495
8.542573
5.575808
5.542238
8.264367
8.992294
9.038804
8.186239
6.052629
8.741676
7.431455
6.628697
9.215567
9.072130
8.000565
6.789712
7.758980
8.186361
6.511872
7.704047
5.383297
7.054003
5.628788
9.018418
7.966140
8.404874
6.470733
7.075488
7.914014
9.246086
6.225364
6.957686
8.255455
9.277947
8.691748
7.868114
8.351527
7.582583
8.626682
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7.098437
5.961440
8.772439
6.821574
5.497192
7.296442
6.437895
6.499542
8.466155
7.308527
8.509735
8.587619
7.769356
8.090899
7.768258
6.604282
5.938612
# Label of molecule (79)
0.108744
# Number of Instances of molecule (80)
4
10.502928
9.046960
9.686443
10.601170
12.549510
8.728462
11.587507
9.243459
10.254651
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6.436690
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9.519406
12.071712
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7.243283
10.203387
8.554193
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9.444087
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6.594514
7.663706
10.777332
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7.097349
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8.663298
7.432379
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8.547852
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7.462241
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8.020277
7.498954
5.919186
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10.554425
7.415813
11.392259
5.762602
8.305200
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10.155323
6.961796
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8.499209
9.674278
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8.529122
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8.866287
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6.482055
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7.031298
6.345588
10.224054
7.404599
8.610464
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6.467601
11.304706
7.112854
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10.204286
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9.687254
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6.515158
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10.368314
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9.283568
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6.712009
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5.976999
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6.936300
11.733406
7.852856
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6.579453
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6.293096
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7.384236
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9.303629
6.399487
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7.135472
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5.499069
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9.091952
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5.760674
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5.523972
9.355998
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6.489090
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8.143178
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7.569185
7.418058
7.372890
6.426450
5.392850
7.783181
7.458464
7.070269
8.017197
6.106250
6.820261
6.040208
8.540651
8.544069
6.386044
7.734962
5.081561
6.670476
8.578982
5.407376
7.039384
8.201651
5.495880
6.949049
6.660344
5.930586
8.080187
4.819590
6.783029
6.248466
6.158742
6.502991
5.639073
8.626347
7.223838
7.859233
5.582797
5.432768
7.830668
5.751259
6.625919
5.463408
5.487335
8.320551
7.651830
6.554872
4.912610
7.284143
8.185049
8.661016
6.535096
6.632633
5.589389
8.764168
7.109943
8.099597
8.572024
4.998062
8.327998
7.780496
5.865642
7.356166
7.291345
8.275018
6.967360
6.360775
8.732307
8.727302
5.805216
5.068987
4.848277
5.139546
8.211417
5.788858
6.629948
7.335658
6.072680
4.880993
8.555177
4.945570
7.038530
7.022904
6.527039
4.790658
6.655950
8.306879
6.927564
8.040757
7.811502
7.550996
6.663884
5.520539
6.351131
7.194662
6.082202
7.539644
7.755959
7.155599
6.623600
6.619327
5.746742
5.022843
7.096515
5.495758
7.694555
5.960494
6.442198
4.768197
5.708533
7.697485
6.867382
6.573794
6.281549
7.978011
5.217795
8.658086
5.362819
7.848369
6.471252
5.220847
5.737220
6.154714
7.219932
4.910169
7.582247
6.626408
7.022782
6.338679
5.081927
4.919935
7.498383
5.499664
7.968978
5.000259
5.034928
7.455657
4.871105
8.231559
4.993667
8.676153
7.339442
8.553957
7.277917
6.398129
7.428800
5.122700
7.145589
5.385891
5.650517
6.975265
9.094714
9.262078
6.515046
7.706488
8.289026
8.400845
8.991562
7.601627
5.409909
5.450316
6.344508
8.219077
6.420194
6.594760
7.511170
8.542085
8.924421
6.741737
6.740761
6.003677
7.132984
6.887249
7.602847
7.535340
5.381954
7.941237
9.235588
9.013047
7.081347
6.388821
8.713843
7.477966
7.968093
7.163747
7.406796
8.505341
8.539888
7.105884
7.205008
9.095935
6.542634
8.381436
8.488128
6.466948
8.388150
7.237724
7.710395
9.116443
8.375820
5.469848
6.478545
8.534639
6.595126
5.973037
5.996231
7.940626
6.381741
7.755684
6.751381
6.416288
6.203635
5.787851
7.320368
6.814249
6.852702
7.062670
6.164083
5.813852
8.814554
8.241173
8.291833
6.500641
8.694189
6.259545
8.667089
7.844676
5.570925
7.272393
6.230003
7.451720
6.158467
5.305902
8.413419
7.963454
7.643254
7.998367
8.024247
7.480407
7.079516
8.799905
8.368496
8.384365
8.212607
7.009934
6.492828
8.932478
6.607212
7.024216
6.418729
8.002396
7.956130
6.168844
8.243126
7.357967
8.441984
6.494049
8.981796
5.815806
8.030595
7.904981
9.029893
5.683599
5.568117
6.002945
8.114704
5.847789
6.557527
8.012894
8.615452
5.884411
8.490204
6.170553
6.124775
7.568300
6.606967
5.948378
9.128895
6.155782
8.965072
8.488861
7.677801
5.815806
7.682073
8.626316
8.925153
7.584780
7.237846
7.868969
7.407895
8.219443
8.703467
7.716498
7.944899
6.322901
6.776040
6.688879
9.026963
6.120502
6.493439
6.441313
8.573580
7.257134
8.503265
6.339503
7.933546
6.994919
5.760994
7.871899
8.000565
7.182424
8.534394
8.271813
5.322871
8.374477
# Label of molecule (80)
0.098991
# Number of Instances of molecule (81)
5
10.430214
8.954482
9.369609
10.787703
12.015891
8.938100
11.392328
8.991959
10.223320
8.812039
8.765052
10.037796
9.447744
10.002489
9.514856
9.875941
9.573374
10.912656
10.362835
10.778509
8.583988
5.523181
8.463374
8.691944
6.038516
8.200612
8.827981
8.321786
8.619992
10.278451
8.095608
11.405866
9.101458
7.971083
10.246404
9.691574
9.170582
7.976820
7.963225
9.774533
8.268081
7.671236
11.776624
6.444627
8.527168
8.708480
9.168564
7.867286
7.357935
8.160007
11.267275
6.766385
8.044801
10.083611
6.070594
8.785701
7.907411
10.984396
7.735993
6.934995
7.214873
10.276701
6.701943
7.581270
6.602441
8.590670
9.835554
5.553656
7.378157
6.740017
8.185848
7.356022
9.155728
7.053976
6.940037
6.600793
7.380620
9.019400
5.215981
6.449377
8.604336
6.437501
7.787283
7.394129
6.262541
7.914594
8.036403
7.448798
10.141513
9.067970
7.837200
7.840164
9.698683
7.016813
10.021731
11.234747
10.705923
6.757895
9.417481
11.108608
7.807466
5.984543
7.369210
9.680648
8.111329
6.747538
7.774651
8.988154
7.746909
6.343037
6.902263
8.472374
8.293111
10.241155
7.774876
9.322668
9.552095
10.636684
9.961209
10.274093
6.769830
9.207370
5.363716
8.184387
6.891323
8.777867
8.116329
7.988839
7.701392
8.181483
10.852918
6.293353
7.988470
6.810244
5.738131
11.328395
8.121093
10.216360
7.691665
8.989438
9.115629
6.069874
9.238086
9.134275
5.626998
8.734200
7.018641
7.815486
8.550675
8.927933
8.235895
8.054473
6.006476
8.056732
8.783530
7.458896
9.745125
7.295580
7.520790
5.486965
8.184200
7.048418
7.015311
5.776245
9.556283
8.986499
8.297937
7.334651
6.717200
8.792459
5.117908
6.239402
8.478729
8.018754
6.669347
7.037034
5.511719
7.000900
5.104968
7.564516
6.121723
5.424070
7.297784
7.447203
6.303980
8.667455
5.083728
5.906873
7.077685
8.403653
7.029954
5.624638
7.780587
6.943648
6.099139
5.533082
8.698340
7.196463
7.589541
7.413755
6.407132
8.121662
7.721381
7.173757
7.199881
7.549379
7.248466
7.677557
5.974990
8.242515
6.467071
8.008255
7.960280
5.075549
5.998795
6.032853
8.648167
5.206534
7.721625
5.149037
5.316034
7.114917
8.224815
6.084124
7.509705
6.382473
7.161184
6.626255
7.859203
6.091937
6.874432
6.158101
8.609348
7.716254
5.673833
5.871715
5.233390
8.376553
5.131947
5.537721
6.509796
8.341151
5.782357
7.703681
8.432463
6.642613
7.589175
6.197409
5.333979
8.686621
5.565554
5.810556
7.595035
7.727729
8.917096
6.036271
5.311762
8.088092
6.080218
7.736396
7.303400
7.992264
8.038530
7.613590
6.826701
5.895764
8.283166
7.363826
7.379452
8.179159
7.799753
6.382351
7.962966
6.084857
7.452574
8.900006
5.181509
7.772652
8.142048
6.424100
7.552431
5.364132
5.110706
6.359401
7.401669
6.858440
8.773782
7.683172
5.721198
8.785867
6.445463
6.549715
7.362117
7.482482
5.342280
8.701147
5.937269
8.854595
7.231742
7.555116
7.812449
6.510651
7.106006
8.850810
6.556063
8.136921
6.253807
8.721046
5.226188
7.987991
8.105670
6.071306
5.868419
5.371212
7.227348
8.138386
7.598453
6.998093
7.836985
6.101947
8.647191
5.076525
6.220603
7.628239
5.741218
5.022446
5.421628
7.216483
6.193869
6.661657
8.577364
5.225944
7.690252
8.867901
6.295679
5.445067
7.747505
7.575747
9.370235
9.096301
8.713355
5.782479
6.632603
7.124561
7.570132
7.774972
8.832499
8.922956
6.933393
5.654546
5.783578
5.845592
6.154561
6.818033
5.931898
7.357112
7.697211
6.240501
7.634465
5.671636
9.162587
6.441557
7.523743
6.760781
9.337153
6.003067
9.333857
7.602847
6.640172
7.518494
6.561800
5.549806
6.343287
5.846080
6.340358
7.686102
6.939619
7.542177
7.896313
6.054216
6.035417
6.348659
6.969893
6.623936
8.141194
5.610843
7.570376
5.876598
6.734901
8.499481
8.442106
6.883831
6.975021
6.912397
5.616703
8.751808
5.436033
5.931288
6.426908
9.308100
9.243034
6.708167
8.354701
6.906415
6.978805
8.655614
6.092181
9.222648
5.740730
5.817759
8.187216
6.918378
6.719886
6.296045
6.650304
8.046831
5.679327
5.603153
8.897565
7.075732
6.705237
6.824015
7.404477
8.402554
7.607364
6.453520
8.446135
6.236595
9.341548
6.792154
7.296686
8.723853
7.832469
5.768685
7.267510
8.188192
8.568087
9.069201
5.953505
9.365963
6.343654
7.444517
6.067400
5.506226
6.528718
8.073931
6.233665
6.214866
6.232933
6.856731
9.119373
6.914472
7.744209
6.509919
6.274804
7.797189
6.617100
7.345271
9.061510
8.144124
6.782998
7.600162
9.039903
7.888256
9.059923
8.199179
9.193716
6.292749
5.434202
6.820231
9.364742
5.622806
5.493408
8.140217
7.274224
5.684210
7.379086
7.134327
6.504547
9.103992
7.640812
8.307703
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7.227958
6.362331
5.728401
6.180685
6.511872
5.936903
6.742958
5.887707
9.277947
7.865062
8.244957
8.128132
8.714454
5.951552
8.373623
8.438475
6.679998
7.303919
7.537935
6.472839
6.660100
7.082598
9.356227
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7.967391
7.784524
8.726936
6.279351
7.930403
6.109058
7.888531
7.608127
7.687719
7.788064
6.028733
6.037156
8.839610
6.887402
6.479308
7.229820
5.653844
8.570681
9.152974
6.071581
7.703589
8.698004
6.097461
8.328486
5.806558
5.636143
8.042589
6.451842
8.146840
5.654576
7.812967
5.909345
7.449553
9.282617
8.484252
8.412351
6.086108
8.001450
6.155934
8.417112
7.983749
6.649236
7.216880
9.275048
8.214835
8.910047
5.976852
7.406339
9.141377
9.264183
6.541810
6.871166
5.987960
8.775643
6.805002
8.715217
6.720893
6.089526
8.431516
9.463164
9.105853
9.015152
6.708441
9.135884
7.820902
6.070360
8.139149
7.166219
6.498840
7.362758
5.652867
6.587344
7.574679
6.179983
7.308191
8.870861
6.811960
6.667791
8.361934
7.786966
9.384671
8.967544
6.581606
8.664068
6.388363
9.190939
6.675115
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8.656377
5.604526
5.711219
5.751625
8.754891
8.401486
9.408841
8.821665
8.033555
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7.167196
5.879803
7.605441
6.274102
7.714331
8.129994
8.131703
9.008316
7.247032
8.257195
9.286035
8.085803
7.938093
7.975936
5.773232
5.652745
6.685614
5.976730
6.778756
6.712348
7.980331
6.646672
7.721412
8.496704
8.764046
7.937727
9.186666
8.426023
9.155416
8.758919
7.914411
6.027512
8.919080
6.266900
6.716987
8.191519
7.550142
7.430509
8.200674
9.136860
7.852763
9.241844
7.167318
6.463561
8.884045
7.952986
6.572085
8.666509
8.141713
7.710669
7.908307
7.483489
6.867992
8.963149
8.899426
6.456236
6.346248
7.016312
7.368862
8.771584
7.823191
7.547426
8.277429
8.073931
7.677679
5.603153
5.902478
6.906903
6.859539
7.600894
5.476806
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6.518464
8.133381
8.910871
7.729682
8.577853
6.387478
7.770333
8.799417
9.058214
6.680090
9.017930
8.976302
5.705939
6.205832
6.747230
8.014969
6.801675
7.370785
5.783944
6.087420
6.022233
6.086566
9.028550
6.449858
6.234153
5.400876
6.417020
6.380520
9.089953
5.839000
5.374264
6.767983
5.305170
5.830454
8.632786
8.721290
6.490631
7.598209
7.294977
7.579653
5.412717
5.881359
7.012986
8.695288
5.560060
6.871624
7.159474
7.364071
6.888348
6.733558
6.866131
5.280633
8.621433
9.086657
5.804941
5.891003
7.980544
6.822916
5.585818
9.019517
7.719916
7.636296
7.646550
7.142628
7.340022
8.637059
5.510498
7.689154
6.857585
7.427305
7.286065
7.735298
6.003677
7.012986
6.282983
5.475341
7.727363
5.926160
7.621769
6.841227
8.879009
6.933760
8.709449
7.643254
6.947310
7.706610
5.457640
5.611332
5.728156
6.825114
6.118915
6.709143
8.795389
8.495697
8.613132
8.096026
7.653264
7.352596
7.223197
6.113056
5.443113
8.721656
8.531709
7.667425
7.079638
5.718513
6.475249
5.390011
8.691259
8.559908
8.391079
6.941450
5.241081
7.458556
5.929701
6.842204
9.202506
8.480682
6.712073
7.199637
7.163625
7.738716
8.601169
7.710639
7.237236
7.295099
8.468230
7.310724
8.150105
6.152120
7.324152
5.847423
6.887127
5.702765
7.694891
8.152669
7.764840
7.016648
9.112537
6.887249
5.809946
7.338191
5.599124
6.534944
7.317682
9.170400
7.018479
8.919416
8.463958
5.317988
8.168661
6.619663
6.848308
# Label of molecule (81)
0.125205
# Number of Instances of molecule (82)
3
10.524219
9.109467
9.552018
10.296935
12.659152
9.049156
11.622813
8.923155
10.146874
8.646516
8.827045
7.887990
9.144888
10.111003
12.611005
8.085709
11.881014
10.621000
10.246740
10.628353
12.129827
8.428125
10.416536
7.640604
8.974567
10.633726
8.413804
9.563409
10.436844
9.259475
11.022599
11.260545
8.496466
8.908356
7.444712
8.532189
7.328417
7.301433
7.768673
10.021198
9.481219
6.908918
11.354016
7.879657
7.374263
8.757164
7.198023
8.587754
10.044634
7.941646
7.866273
6.116172
6.516646
9.804308
6.431343
8.002434
6.832604
9.386617
8.919625
6.897274
9.330398
9.053096
9.756242
7.025882
6.731975
7.604345
9.689711
7.354420
6.578815
9.317004
11.093533
6.272725
7.048061
7.371045
7.777468
6.003534
9.441875
10.677883
6.767687
7.972885
7.674654
5.886911
7.486228
7.629624
6.422366
7.859227
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6.876751
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8.391125
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8.958525
7.341533
9.285684
8.231330
5.751152
8.783959
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7.500473
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8.423963
6.600299
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6.956877
8.458022
5.658132
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5.542650
7.561876
5.758232
8.767113
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5.986633
7.329936
7.060396
9.263710
8.623310
5.960509
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6.522782
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5.692801
9.272500
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5.513352
8.070925
5.667409
6.345775
6.334300
8.208014
7.333110
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7.092380
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6.258003
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5.722221
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7.342387
7.802728
7.655995
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7.778558
6.817591
6.803674
6.796350
6.962859
8.822657
5.709281
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8.243049
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9.217200
5.939756
7.057588
7.806635
6.634846
6.595416
7.766228
7.034639
7.017914
7.387188
7.318216
5.766655
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7.455428
8.424085
8.903714
7.610096
6.174383
6.474441
8.622578
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6.055849
9.305216
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7.515244
6.738731
9.329752
6.820032
8.412488
9.439985
7.913694
6.376415
6.516434
9.241249
5.866512
5.587451
8.975249
6.586016
7.925413
6.854946
9.142247
7.363994
# Label of molecule (82)
0.133101
# Number of Instances of molecule (83)
4
10.543715
8.784635
9.670939
10.842398
12.346489
7.138937
8.566489
7.856119
8.322869
8.079305
8.862875
7.935751
9.298993
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10.714343
8.751948
10.325211
9.336694
9.456223
9.517886
11.043665
7.481712
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7.627634
10.721521
10.159291
10.147742
10.252488
10.604810
8.820197
7.809939
9.624793
9.717341
7.544731
6.743919
8.084211
7.511064
8.271264
9.063151
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6.276402
8.762147
6.612365
6.797958
10.411729
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10.437908
8.064703
10.191692
7.650033
6.628867
8.257706
6.671942
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7.324868
8.536054
7.762836
6.276664
7.807199
10.926559
8.836442
6.051405
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8.666354
5.860665
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10.853944
8.343937
6.233998
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5.048781
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6.502469
6.459755
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11.342627
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10.622852
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6.329567
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5.630726
9.197481
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6.137097
6.950548
7.238966
6.343951
8.243857
9.861877
8.604141
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7.709000
6.577802
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7.511235
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10.741241
6.828071
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11.513670
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5.958922
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6.526444
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6.871792
7.891110
6.542924
7.190405
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8.301035
5.060701
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5.151891
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7.967162
6.409986
7.455794
4.918485
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5.599780
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4.876492
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8.686544
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4.918485
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4.919950
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6.486770
7.102023
8.690207
7.189184
5.765069
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6.927580
6.590533
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7.636219
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5.618702
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6.592853
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6.999725
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7.849605
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6.351268
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7.779290
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9.361003
6.014100
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8.920682
5.677175
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8.514664
7.981201
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8.804590
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8.780541
7.334452
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6.794885
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7.341655
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5.634571
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7.712882
8.932768
9.095859
8.811548
8.198859
8.751610
9.536546
9.099643
8.515030
# Label of molecule (83)
0.079288
# Number of Instances of molecule (84)
3
10.458184
9.156778
9.375171
10.617945
12.242441
8.833734
11.455496
9.169285
10.153958
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6.907760
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5.846737
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7.631479
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6.954797
9.307728
6.668013
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6.499255
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5.662894
11.081192
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8.491277
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6.695933
7.897547
5.862730
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6.742531
6.235679
7.225333
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5.332209
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5.511902
7.870861
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6.738136
8.684240
7.842662
5.519715
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7.214225
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7.444700
5.987503
6.990219
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7.440062
7.876598
5.563540
8.903974
6.041704
8.454863
7.922376
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7.403562
7.796152
8.339503
5.545961
6.705054
5.481384
9.023606
5.544862
6.977279
5.848338
6.565523
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7.358394
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5.791086
6.994980
7.954970
8.968917
8.171651
7.443724
8.290429
8.023453
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6.004715
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6.778420
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8.685095
5.810862
5.466613
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8.632725
9.214408
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5.799265
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6.108112
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7.857067
5.763253
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6.010941
7.536134
8.592441
7.685064
5.227226
9.158620
7.172475
6.323939
6.168661
6.996811
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6.564669
5.872509
8.175069
8.265282
5.700140
8.357204
5.921461
6.041948
6.238121
5.808542
8.433134
7.464843
6.349086
8.618931
7.305658
7.000839
9.018357
9.047411
8.397610
8.441557
5.409360
8.015641
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6.068194
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8.667150
6.090899
8.459624
6.059893
5.427915
6.735939
8.866253
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8.847697
5.356624
5.597476
7.090075
8.218284
6.942732
6.312708
7.185415
5.912183
6.402799
# Label of molecule (84)
0.108976
# Number of Instances of molecule (85)
4
10.497388
8.992252
9.330786
10.419335
12.358958
8.983836
11.265807
9.386685
10.413552
8.468275
8.354650
8.081269
7.609960
7.128877
11.921270
8.023658
11.505871
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11.033740
9.494836
9.149393
8.443708
11.208793
8.880611
7.071744
10.121801
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7.857771
8.976117
8.920004
9.736048
9.358306
9.685369
8.608665
10.168292
9.090893
6.926264
7.610298
8.175063
9.411075
8.281112
9.716134
9.807493
5.257292
8.585406
9.575628
7.956766
9.377929
7.443073
9.464324
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6.629892
5.970630
7.910641
7.344056
8.755466
5.670583
8.322719
5.981969
5.409377
7.808355
7.986249
8.989506
6.398154
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6.967472
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7.872016
10.018635
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6.847907
8.343761
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6.763010
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10.299089
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7.499238
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5.575965
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10.653685
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8.429263
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6.912962
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6.001888
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6.707008
7.075473
11.403040
7.841385
10.997396
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9.325030
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8.230949
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7.470916
6.630924
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4.929456
6.662175
6.843089
7.579440
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6.010544
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6.858226
8.242790
4.917859
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7.379727
8.621220
5.983932
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8.071520
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6.883618
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6.926588
7.139485
4.973891
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8.347407
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8.615238
5.194113
6.196585
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8.134754
8.149037
6.285943
4.997330
6.048997
6.375790
7.878155
6.748970
5.274194
# Label of molecule (85)
0.110000
# Number of Instances of molecule (86)
4
10.172077
9.030823
9.273061
10.408423
12.697905
9.126767
10.149974
8.267488
10.045402
6.702243
7.802716
8.347261
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8.630486
11.804965
8.872261
10.085769
8.567893
10.692803
11.213126
11.911103
7.893192
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8.345410
10.296752
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6.837054
6.856239
9.091233
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6.240250
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10.262896
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5.590160
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7.127111
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11.320395
7.494404
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8.846054
10.759883
9.169170
6.407958
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7.931163
5.535777
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8.954639
8.553446
9.381216
5.920487
6.358839
7.476004
8.232836
8.644892
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7.581773
9.177970
8.888204
8.427252
6.956246
6.050856
7.653264
8.768388
8.379605
5.037325
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8.325548
8.432750
8.400237
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9.356651
11.035388
7.087567
9.337086
8.889966
6.427781
6.302051
7.762764
10.648376
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5.792593
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6.275704
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8.339976
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7.332743
4.805933
8.770165
5.155675
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8.645161
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5.981872
6.675619
# Label of molecule (86)
0.086640
# Number of Instances of molecule (87)
5
10.405622
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9.388958
8.495376
6.598590
6.942717
7.198462
6.016175
6.322459
6.849818
6.858852
5.811579
6.228339
8.141240
8.608661
7.264992
6.184637
9.051424
7.350932
6.882656
7.056124
8.227302
8.197638
7.886471
6.618976
8.770409
7.349712
7.424665
7.750603
8.084353
5.688772
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9.265908
8.401502
8.454360
7.910642
7.778924
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6.381420
7.820795
8.962188
6.038270
7.675405
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8.578753
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8.197027
7.028291
5.663625
6.957244
9.232459
8.050905
8.229255
9.056063
6.226630
9.116733
# Label of molecule (87)
0.109768
# Number of Instances of molecule (88)
3
10.511981
9.240516
9.597965
10.665981
12.611335
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11.027390
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7.577780
8.378821
10.193644
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8.572904
9.675996
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10.606129
6.769911
8.231522
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10.607414
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4.957991
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4.896222
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6.352199
6.183004
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6.133564
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8.355678
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5.567629
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8.507050
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7.678533
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6.392117
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7.962477
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6.346706
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7.687445
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8.220542
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