COVID Moonshot Sprint 11
Summary
Compounds
(current)
Microstates
Transformations
Reliable Transformations
Retrospective Transformations
Retrospective Compounds
VLA-UCB-50c39ae8-2
Metadata
Compound ID
VLA-UCB-50c39ae8-2
Computed quantities
ΔG / kcal M
-1
−9.07
± 0.04
pIC50
6.61
± 0.03
Experimental data
ΔG / kcal M
-1
−9.07
± 0.04
pIC50
6.61
± 0.03
IC50 / µM
0.246
± 0.246
Transformations
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distributions
Convergence
RUN797
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-1_2
pdb
−3.0
± 0.3
RUN807
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-1_1
pdb
−3.0
± 0.2
RUN851
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-2_2
pdb
−2.3
± 0.3
RUN714
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_1
pdb
−2.3
± 0.2
RUN580
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-3_2
pdb
−2.1
± 0.2
RUN855
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-4_2
pdb
−2.0
± 0.3
RUN852
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-4_1
pdb
−2.0
± 0.3
RUN715
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_2
pdb
−2.0
± 0.1
RUN520
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-56836b69-2_1
pdb
−1.97
± 0.08
RUN812
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-3_2
pdb
−1.9
± 0.3
RUN668
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-6_1
pdb
−1.9
± 0.2
RUN677
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-1_1
pdb
−1.9
± 0.1
RUN530
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-56836b69-5_1
pdb
−1.9
± 0.1
RUN661
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-14_1
pdb
−1.8
± 0.1
RUN718
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-5_1
pdb
−1.7
± 0.4
RUN529
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-3a43cd95-1_1
pdb
−1.69
± 0.07
RUN849
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-2_1
pdb
−1.7
± 0.2
RUN554
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-2_2
pdb
−1.5
± 0.2
RUN782
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-9_1
pdb
−1.5
± 0.3
RUN551
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-4_2
pdb
−1.5
± 0.2
RUN582
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-2e8b2191-8_2
pdb
−1.5
± 0.1
RUN811
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-3_1
pdb
−1.4
± 0.2
RUN514
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-11_1
pdb
−1.42
± 0.05
RUN783
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-10_1
pdb
−1.3
± 0.3
RUN509
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-cf7facf1-1_1
pdb
−1.26
± 0.05
RUN572
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7587a9ee-1_1
pdb
−1.3
± 0.1
RUN573
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7587a9ee-1_2
pdb
−1.2
± 0.1
RUN516
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-29506327-1_1
pdb
−1.20
± 0.06
RUN574
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-2e8b2191-8_1
pdb
−1.2
± 0.1
RUN575
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-1_1
pdb
−1.0
± 0.2
RUN674
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_2
pdb
−1.0
± 0.1
RUN622
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-2_1
pdb
−0.9
± 0.1
RUN679
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-8_1
pdb
−0.9
± 0.2
RUN827
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-8_1
pdb
−0.9
± 0.2
RUN767
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-5_1
pdb
−0.9
± 0.2
RUN623
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-2_1
pdb
−0.9
± 0.1
RUN780
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-9_2
pdb
−0.9
± 0.3
RUN843
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-5_1
pdb
−0.8
± 0.3
RUN524
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-56836b69-3_1
pdb
−0.81
± 0.10
RUN838
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-11_1
pdb
−0.8
± 0.2
RUN614
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-1_1
pdb
−0.8
± 0.3
RUN903
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-4_1
pdb
−0.8
± 0.4
RUN909
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-8_1
pdb
−0.8
± 0.4
RUN778
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-1_1
pdb
−0.8
± 0.3
RUN676
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_1
pdb
−0.8
± 0.2
RUN630
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-7_1
pdb
−0.7
± 0.1
RUN856
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_2
pdb
−0.7
± 0.5
RUN955
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-3_1
pdb
−0.7
± 0.5
RUN555
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-3_2
pdb
−0.7
± 0.2
RUN624
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-3_1
pdb
−0.7
± 0.1
RUN577
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-3_1
pdb
−0.7
± 0.2
RUN632
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-8_1
pdb
−0.7
± 0.1
RUN769
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-5_2
pdb
−0.6
± 0.3
RUN892
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-2_1
pdb
−0.6
± 0.3
RUN775
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-12_1
pdb
−0.5
± 0.2
RUN774
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-1_2
pdb
−0.5
± 0.5
RUN521
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-7_1
pdb
−0.51
± 0.07
RUN581
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-3_2
pdb
−0.5
± 0.2
RUN579
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-9_1
pdb
−0.4
± 0.1
RUN777
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-12_2
pdb
−0.4
± 0.4
RUN836
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-4_2
pdb
−0.3
± 0.3
RUN584
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-1_2
pdb
−0.3
± 0.2
RUN823
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-4_1
pdb
−0.3
± 0.3
RUN828
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-11_2
pdb
−0.2
± 0.3
RUN550
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-4_1
pdb
−0.2
± 0.2
RUN552
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-2_1
pdb
−0.1
± 0.2
RUN952
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_4
pdb
−0.1
± 0.5
RUN518
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-1_1
pdb
−0.1
± 0.2
RUN861
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_4
pdb
−0.1
± 0.5
RUN972
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-3_1
pdb
−0.1
± 0.3
RUN939
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-3_1
pdb
−0.1
± 0.7
RUN507
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-6_1
pdb
−0.06
± 0.03
RUN958
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_6
pdb
−0.1
± 0.6
RUN505
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-50c39ae8-2_1
pdb
−0.02
± 0.03
RUN504
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-05e51b3f-5_1
pdb
−0.01
± 0.02
RUN526
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-3_1
pdb
0.0
± 0.2
RUN508
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-94643566-1_1
pdb
0.03
± 0.02
RUN619
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-1_2
pdb
0.1
± 0.2
RUN946
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-5_1
pdb
0.1
± 0.2
RUN525
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-3a43cd95-3_1
pdb
0.15
± 0.05
RUN512
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-3_1
pdb
0.15
± 0.08
RUN523
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-2_1
pdb
0.2
± 0.2
RUN510
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-90505e2b-1_1
pdb
0.19
± 0.04
RUN513
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-ec6d90b7-2_1
pdb
0.19
± 0.04
RUN784
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-10_2
pdb
0.2
± 0.4
RUN621
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-2_2
pdb
0.2
± 0.2
RUN717
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-7_1
pdb
0.2
± 0.3
RUN759
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-3_1
pdb
0.2
± 0.2
RUN585
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-3_1
pdb
0.2
± 0.3
RUN880
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_2
pdb
0.3
± 0.4
RUN771
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-2_1
pdb
0.3
± 0.4
RUN853
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_3
pdb
0.4
± 0.4
RUN511
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-ec6d90b7-1_1
pdb
0.40
± 0.04
RUN968
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-2_2
pdb
0.4
± 0.7
RUN859
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-3_1
pdb
0.5
± 0.3
RUN728
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-4_1
pdb
0.5
± 0.4
RUN494
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-3_1
pdb
0.5
± 0.1
RUN912
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-5_1
pdb
0.5
± 0.3
RUN553
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-3_1
pdb
0.5
± 0.2
RUN908
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-3_1
pdb
0.5
± 0.2
RUN765
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-5_1
pdb
0.5
± 0.2
RUN745
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-16_4
pdb
0.5
± 0.5
RUN697
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-1_1
pdb
0.6
± 0.1
RUN949
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_3
pdb
0.7
± 0.5
RUN646
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-7_1
pdb
0.8
± 0.1
RUN618
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-2_1
pdb
0.8
± 0.3
RUN806
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-6_1
pdb
0.8
± 0.1
RUN721
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-5_2
pdb
0.8
± 0.3
RUN924
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_1
pdb
0.8
± 0.6
RUN916
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-7_1
pdb
0.8
± 0.4
RUN756
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-2_1
pdb
0.8
± 0.2
RUN864
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-3_2
pdb
0.8
± 0.5
RUN865
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-4_1
pdb
0.9
± 0.2
RUN643
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-18_4
pdb
0.9
± 0.5
RUN822
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-4_2
pdb
0.9
± 0.3
RUN747
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_3
pdb
0.9
± 0.6
RUN531
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-51c67e7d-1_1
pdb
0.9
± 0.1
RUN609
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-4_2
pdb
0.9
± 0.3
RUN840
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-1_1
pdb
0.9
± 0.4
RUN884
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_3
pdb
0.9
± 0.5
RUN847
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-1_2
pdb
1.0
± 0.5
RUN631
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-1_1
pdb
1.0
± 0.2
RUN700
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-2_1
pdb
1.0
± 0.1
RUN960
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-5_2
pdb
1.0
± 0.5
RUN766
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-7_1
pdb
1.0
± 0.2
RUN754
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_4
pdb
1.0
± 0.5
RUN589
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-14142a25-1_1
pdb
1.0
± 0.1
RUN818
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-6_1
pdb
1.0
± 0.3
RUN796
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-14_2
pdb
1.0
± 0.3
RUN899
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-2_2
pdb
1.1
± 0.3
RUN930
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-2_2
pdb
1.1
± 0.4
RUN929
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-2_1
pdb
1.1
± 0.4
RUN965
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-d1147590-1_1
pdb
1.1
± 0.5
RUN831
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-2_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-cc48ee33-7_1
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1.1
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RUN902
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VLA-UCB-50c39ae8-2_1
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MAT-POS-38eb6498-4_1
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1.2
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-ee81482e-1_1
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1.2
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RUN527
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VLA-UCB-50c39ae8-2_1
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JOH-MSK-1f2dff76-3_1
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1.2
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VLA-UCB-50c39ae8-2_1
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JOH-MSK-51c67e7d-2_1
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1.2
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VLA-UCB-50c39ae8-2_1
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LUO-POS-8c3e556a-1_1
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1.2
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VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-1_1
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1.3
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RUN692
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VLA-UCB-50c39ae8-2_1
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MAT-POS-576f7758-2_1
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1.3
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VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-51c67e7d-2_2
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1.29
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VLA-UCB-50c39ae8-2_1
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MAT-POS-40ad851a-2_2
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1.4
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-5cd3920d-2_2
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1.4
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RUN885
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-3_4
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-dfa1d800-4_1
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1.4
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VLA-UCB-50c39ae8-2_1
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JOH-MSK-51c67e7d-1_2
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1.40
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VLA-UCB-50c39ae8-2_1
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LUO-POS-9931618f-1_1
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RUN845
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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EDG-MED-b1ef7fe3-3_1
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1.5
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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LUO-POS-8c3e556a-2_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-976a33d5-2_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-9f4ac58c-2_1
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1.5
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-fd8ed875-6_1
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1.6
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VLA-UCB-50c39ae8-2_1
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LUO-POS-9931618f-2_1
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VLA-UCB-50c39ae8-2_1
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JOH-MSK-1f2dff76-4_1
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1.6
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-9f4ac58c-6_1
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1.6
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-ede5c6cb-2_1
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1.6
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-1_3
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1.6
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-b6c6ee2b-6_1
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1.7
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VLA-UCB-50c39ae8-2_1
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MAT-POS-1d5ab790-3_1
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1.7
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VLA-UCB-50c39ae8-2_1
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LUO-POS-ed2cfb03-1_1
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1.7
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VLA-UCB-50c39ae8-2_1
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PET-UNK-aa57768f-9_1
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1.7
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-fed7ac0b-4_1
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1.7
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RUN701
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-6_4
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1.7
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VLA-UCB-50c39ae8-2_1
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EDG-MED-b1ef7fe3-2_1
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1.7
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RUN760
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-98c0a822-4_1
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1.7
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-6_2
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1.7
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VLA-UCB-50c39ae8-2_1
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MAT-POS-40ad851a-3_2
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-dfa1d800-1_1
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VLA-UCB-50c39ae8-2_1
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PET-UNK-aa57768f-3_1
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1.7
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-5_2
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1.8
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VLA-UCB-50c39ae8-2_1
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BRU-THA-73c97d88-1_1
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VLA-UCB-50c39ae8-2_1
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EDG-MED-b1ef7fe3-1_1
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1.8
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VLA-UCB-50c39ae8-2_1
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PET-UNK-7e9559de-4_2
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1.8
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VLA-UCB-50c39ae8-2_1
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DAR-DIA-0f7b7cd9-8_1
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1.83
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-17_1
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1.8
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VLA-UCB-50c39ae8-2_1
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DAR-DIA-6be260fc-5_1
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-2_2
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1.9
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-fd8ed875-4_1
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1.9
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VLA-UCB-50c39ae8-2_1
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PET-UNK-94036022-10_2
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VLA-UCB-50c39ae8-2_1
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EDG-MED-b1ef7fe3-4_1
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1.9
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RUN730
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-6_1
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1.9
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RUN725
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-21_1
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1.9
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RUN496
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VLA-UCB-50c39ae8-2_1
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MAT-POS-983b399a-1_1
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1.9
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RUN896
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-12_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-468565e0-1_1
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-18_3
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VLA-UCB-50c39ae8-2_1
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BRU-THA-55eab31a-1_1
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VLA-UCB-50c39ae8-2_1
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PET-UNK-aa57768f-8_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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LUO-POS-ed2cfb03-2_2
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-6_1
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2.1
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RUN877
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VLA-UCB-50c39ae8-2_1
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MAT-POS-38eb6498-3_2
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2.1
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RUN753
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VLA-UCB-50c39ae8-2_1
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MIK-ENA-5d9157e9-2_2
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RUN657
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-fd8ed875-5_1
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RUN578
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-8bb691af-8_1
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RUN763
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-cc48ee33-5_1
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RUN878
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-20_1
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RUN743
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-16_1
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2.1
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RUN702
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-19_2
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RUN662
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-5_4
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RUN642
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-20_2
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RUN945
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-ee81482e-5_1
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RUN923
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-9_2
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VLA-UCB-50c39ae8-2_1
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MAT-POS-40ad851a-2_4
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2.2
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RUN611
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-4_4
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RUN830
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-1_4
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RUN913
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-19_2
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-468565e0-5_1
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RUN927
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VLA-UCB-50c39ae8-2_1
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MAT-POS-38eb6498-1_1
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VLA-UCB-50c39ae8-2_1
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ALP-POS-477dc5b7-4_1
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VLA-UCB-50c39ae8-2_1
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MAT-POS-576f7758-1_2
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RUN602
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-fd8ed875-3_1
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RUN761
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PET-UNK-94036022-9_1
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RUN600
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VLA-UCB-50c39ae8-2_1
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PET-UNK-7e9559de-1_1
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VLA-UCB-50c39ae8-2_1
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LUO-POS-d1147590-1_2
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RUN625
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VLA-UCB-50c39ae8-2_1
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RUN941
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VLA-UCB-50c39ae8-2_1
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MAT-POS-40ad851a-4_1
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RUN932
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VLA-UCB-50c39ae8-2_1
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LUO-POS-8484f2d3-1_1
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RUN874
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-22_1
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RUN751
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VLA-UCB-50c39ae8-2_1
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MIK-ENA-5d9157e9-2_1
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RUN917
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-ee81482e-1_2
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RUN810
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-fed7ac0b-3_1
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RUN824
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-1_1
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RUN914
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-19_1
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PET-UNK-14142a25-10_1
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-16_3
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RUN969
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VLA-UCB-50c39ae8-2_1
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MAT-POS-40ad851a-5_1
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RUN757
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VLA-UCB-50c39ae8-2_1
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RUN666
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MAT-POS-50a80394-7_2
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RUN653
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-a12e3a20-2_1
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VLA-UCB-50c39ae8-2_1
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MAT-POS-69786b79-2_2
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RUN829
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-5cd3920d-5_1
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RUN942
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-ee81482e-3_2
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RUN789
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-7_2
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RUN772
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PET-UNK-94036022-9_2
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RUN636
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MAT-POS-853c0ffa-1_1
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RUN862
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-5cd3920d-6_1
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RUN723
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-6_2
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RUN741
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-13_1
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RUN973
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VLA-UCB-50c39ae8-2_1
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RUN948
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-dfa1d800-2_1
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RUN868
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RUN626
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-7_2
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RUN748
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-21_1
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MAT-POS-be048f2c-7_1
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MAT-POS-40ad851a-4_2
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2.8
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VLA-UCB-34f3ed0c-15_1
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2.8
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PET-UNK-94036022-10_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-b6c6ee2b-4_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-5cd3920d-1_2
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RUN819
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-a12e3a20-1_2
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-5cd3920d-2_1
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RUN860
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-7e491f08-1_1
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2.9
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RUN770
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VLA-UCB-50c39ae8-2_1
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PET-UNK-94036022-2_2
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3.0
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RUN517
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DAR-DIA-0f7b7cd9-9_1
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3.0
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RUN647
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VLA-UCB-50c39ae8-2_1
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MAT-POS-69786b79-1_2
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3.0
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RUN537
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-7587a9ee-3_1
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3.1
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RUN583
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VLA-UCB-50c39ae8-2_1
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LUO-POS-ed2cfb03-2_1
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3.1
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RUN887
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-16_1
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3.1
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RUN495
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-159244ea-1_1
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3.1
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RUN809
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VLA-UCB-50c39ae8-2_1
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MAT-POS-b4d6b7fc-7_2
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3.1
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RUN694
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-17_3
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3.1
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RUN708
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VLA-UCB-50c39ae8-2_1
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ALP-POS-ecbed2ba-19_3
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3.1
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RUN698
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-b6c6ee2b-1_2
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-b6c6ee2b-2_2
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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MAT-POS-1d5ab790-1_2
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VLA-UCB-50c39ae8-2_1
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MAT-POS-b4d6b7fc-7_1
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LUO-POS-b4dec3be-1_2
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MAT-POS-853c0ffa-14_1
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MAT-POS-38eb6498-5_2
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RUN935
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RUN561
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RUN722
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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RUN648
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RUN557
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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RUN490
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RUN933
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VLA-UCB-50c39ae8-2_1
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RUN570
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VLA-UCB-50c39ae8-2_1
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RUN950
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VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_5
pdb
5.2
± 0.7
RUN895
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-11_1
pdb
5.2
± 0.5
RUN837
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-6_1
pdb
5.2
± 0.5
RUN680
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_3
pdb
5.2
± 0.4
RUN922
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-9_1
pdb
5.2
± 0.4
RUN839
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-1_2
pdb
5.2
± 0.4
RUN560
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-7_1
pdb
5.2
± 0.1
RUN848
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-8_2
pdb
5.3
± 0.4
RUN762
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-69786b79-4_2
pdb
5.3
± 0.3
RUN499
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-f3cfbbb5-1_2
pdb
5.36
± 0.09
RUN488
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-2_1
pdb
5.36
± 0.09
RUN591
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-6_2
pdb
5.4
± 0.3
RUN595
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1d5ab790-2_1
pdb
5.4
± 0.3
RUN501
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-e78d5f1a-1_2
pdb
5.40
± 0.08
RUN566
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-12_1
pdb
5.4
± 0.3
RUN866
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-3_1
pdb
5.4
± 0.3
RUN814
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-1_1
pdb
5.4
± 0.3
RUN683
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_4
pdb
5.4
± 0.3
RUN681
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_2
pdb
5.4
± 0.4
RUN587
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-6_1
pdb
5.5
± 0.3
RUN487
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-2_2
pdb
5.52
± 0.09
RUN548
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_4
pdb
5.5
± 0.2
RUN635
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-7_1
pdb
5.6
± 0.2
RUN567
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_3
pdb
5.6
± 0.2
RUN544
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_2
pdb
5.6
± 0.2
RUN498
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-f3cfbbb5-1_1
pdb
5.63
± 0.08
RUN489
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-2_2
pdb
5.65
± 0.10
RUN733
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-13_2
pdb
5.6
± 0.4
RUN798
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-22_2
pdb
5.7
± 0.4
RUN867
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-6_1
pdb
5.7
± 0.4
RUN737
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-00af8776-1_2
pdb
5.8
± 0.4
RUN563
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_4
pdb
5.9
± 0.2
RUN943
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-3_3
pdb
5.9
± 0.8
RUN617
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b4dec3be-2_1
pdb
6.0
± 0.3
RUN792
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-8_2
pdb
6.0
± 0.6
RUN599
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1d5ab790-2_2
pdb
6.0
± 0.3
RUN640
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-14_1
pdb
6.0
± 0.3
RUN564
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c7726e07-5_1
pdb
6.1
± 0.3
RUN678
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_1
pdb
6.2
± 0.3
RUN875
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-11_2
pdb
6.2
± 0.5
RUN684
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-94fddcec-6_1
pdb
6.2
± 0.2
RUN740
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-10_2
pdb
6.2
± 0.8
RUN869
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-6_2
pdb
6.2
± 0.5
RUN562
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_1
pdb
6.2
± 0.2
RUN559
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_2
pdb
6.3
± 0.2
RUN817
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-1_2
pdb
6.3
± 0.4
RUN799
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-8_1
pdb
6.6
± 0.6
RUN815
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-1_1
pdb
6.8
± 0.6
RUN672
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-7_2
pdb
6.8
± 0.2
RUN669
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-7_1
pdb
6.8
± 0.4
RUN542
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_1
pdb
7.0
± 0.2
RUN834
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-1_2
pdb
7.1
± 0.6
RUN546
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_3
pdb
7.1
± 0.2
RUN671
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-14_1
pdb
7.3
± 0.4
RUN795
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-5_1
pdb
7.3
± 0.7
RUN731
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-0c930815-1_2
pdb
7.5
± 0.4
RUN758
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-3_1
pdb
7.5
± 0.6
RUN739
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-1_2
pdb
7.6
± 0.4
RUN732
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-0c930815-1_1
pdb
7.7
± 0.4
RUN786
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-5_1
pdb
7.9
± 0.3
RUN835
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-1_1
pdb
7.9
± 0.4
RUN911
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_2
pdb
7.9
± 0.3
RUN596
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-1_1
pdb
8.2
± 0.2
RUN705
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-2_1
pdb
8.5
± 0.2
RUN734
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-00af8776-1_1
pdb
8.5
± 0.4
RUN768
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-3_2
pdb
8.5
± 0.5
RUN742
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-1_1
pdb
8.6
± 0.4
RUN673
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-14_2
pdb
8.7
± 0.2
RUN802
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-2_1
pdb
8.9
± 0.7
RUN907
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-3_2
pdb
8.9
± 0.5
RUN889
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-4_1
pdb
10.1
± 0.4
RUN904
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_1
pdb
10.3
± 0.5
RUN905
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-3_1
pdb
10.5
± 0.5
RUN804
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-2_2
pdb
10.6
± 0.5
RUN893
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-4_2
pdb
11.8
± 0.6
Last updated 2022-01-08T06:37:21.173141+00:00
Generated by
fah-xchem
version pre-sprint-5+122.gaf80f5c