COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 2601 through 2700 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN1242
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-4aa06b95-6_4
sdf
pdb
0.5
± 0.3
RUN1013
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-20_7
sdf
pdb
0.5
± 0.2
RUN4504
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-10fcb19e-4_2
sdf
pdb
0.5
± 0.3
RUN5095
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8293a91a-6_1
sdf
pdb
0.5
± 0.2
RUN3696
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-11_2
sdf
pdb
0.5
± 0.2
RUN3407
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-f6ee7aeb-3_2
sdf
pdb
0.5
± 0.2
RUN1483
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-a7517465-6_1
sdf
pdb
0.5
± 0.4
RUN3394
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-b4e9dd8d-4_1
sdf
pdb
0.5
± 0.2
RUN4399
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-58319883-1_2
sdf
pdb
0.5
± 0.3
RUN1669
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-11_1
sdf
pdb
0.5
± 0.3
RUN3628
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5369c344-7_1
sdf
pdb
0.48
± 0.07
RUN4273
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-2_26
sdf
pdb
0.5
± 0.3
RUN3395
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-f6ee7aeb-1_1
sdf
pdb
0.5
± 0.2
RUN1282
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-9_4
sdf
pdb
0.5
± 0.5
RUN3251
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-14_2
sdf
pdb
0.5
± 0.2
RUN5052
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-f1807566-1_1
sdf
pdb
0.5
± 0.2
RUN1575
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-41_1
sdf
pdb
0.5
± 0.4
RUN78
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-101_2
sdf
pdb
0.5
± 0.1
RUN163
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-1dbca3b4-13_1
sdf
pdb
0.5
± 0.1
RUN1579
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-47_1
sdf
pdb
0.5
± 0.4
RUN4678
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fa7708b3-3_2
sdf
pdb
0.5
± 0.2
RUN4238
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_14
sdf
pdb
0.5
± 0.2
RUN1895
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ee5ed7c8-2_1
sdf
pdb
0.5
± 0.5
RUN1068
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-31_1
sdf
pdb
0.5
± 0.2
RUN3525
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-4_7
sdf
pdb
0.49
± 0.07
RUN2945
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-5_1
sdf
pdb
0.5
± 0.6
RUN1729
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-51_2
sdf
pdb
0.5
± 0.4
RUN821
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-18_1
sdf
pdb
0.5
± 0.3
RUN3270
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-9739a092-4_1
sdf
pdb
0.5
± 0.2
RUN4332
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-7587a9ee-1_2
sdf
pdb
0.5
± 0.2
RUN3031
PET-UNK-29afea89-2_1
sdf
pdb
MAR-UCB-6ab2ec87-7_1
sdf
pdb
0.5
± 0.3
RUN2481
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-29_1
sdf
pdb
0.5
± 0.3
RUN3144
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-37aac4bd-4_2
sdf
pdb
0.5
± 0.2
RUN4375
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-6e27fddc-1_1
sdf
pdb
0.5
± 0.3
RUN1369
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-58_1
sdf
pdb
0.5
± 0.3
RUN530
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-6_1
sdf
pdb
0.5
± 0.3
RUN3636
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-b701bd13-4_1
sdf
pdb
0.50
± 0.08
RUN1701
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-27_1
sdf
pdb
0.5
± 0.4
RUN2683
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-18_2
sdf
pdb
0.51
± 0.07
RUN5093
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-827e7cb4-1_1
sdf
pdb
0.5
± 0.2
RUN397
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-b66f7109-3_1
sdf
pdb
0.5
± 0.3
RUN1132
PET-UNK-29afea89-2_1
sdf
pdb
BEN-BAS-c2bc0d80-1_2
sdf
pdb
0.5
± 0.3
RUN1208
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-c852c98b-4_2
sdf
pdb
0.5
± 0.4
RUN2389
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-f9802937-1_1
sdf
pdb
0.5
± 0.3
RUN2873
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-650655fc-7_4
sdf
pdb
0.5
± 0.3
RUN3661
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-a02b439d-2_1
sdf
pdb
0.5
± 0.3
RUN4170
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1b92fa34-2_1
sdf
pdb
0.5
± 0.2
RUN562
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-18_1
sdf
pdb
0.5
± 0.2
RUN1783
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-81_1
sdf
pdb
0.5
± 0.4
RUN5026
PET-UNK-29afea89-2_1
sdf
pdb
VLA-MRT-a639d434-1_2
sdf
pdb
0.5
± 0.2
RUN4071
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-15_3
sdf
pdb
0.5
± 0.1
RUN4403
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-03fd2068-3_1
sdf
pdb
0.5
± 0.3
RUN2825
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-11_1
sdf
pdb
0.52
± 0.08
RUN1273
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-7_2
sdf
pdb
0.5
± 0.5
RUN3916
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1e7f2e90-1_1
sdf
pdb
0.5
± 0.3
RUN1625
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-67_2
sdf
pdb
0.5
± 0.5
RUN1475
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-971238d3-10_1
sdf
pdb
0.5
± 0.4
RUN2015
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-5_2
sdf
pdb
0.5
± 0.4
RUN1563
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-32_1
sdf
pdb
0.5
± 0.4
RUN4290
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-2_43
sdf
pdb
0.5
± 0.2
RUN3644
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ba7e64f2-3_1
sdf
pdb
0.5
± 0.1
RUN4919
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-4_12
sdf
pdb
0.5
± 0.2
RUN3818
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-45b13633-1_1
sdf
pdb
0.5
± 0.1
RUN3828
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-1_1
sdf
pdb
0.5
± 0.4
RUN3192
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-1_1
sdf
pdb
0.5
± 0.3
RUN1202
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-c852c98b-1_1
sdf
pdb
0.5
± 0.4
RUN1835
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-101_2
sdf
pdb
0.5
± 0.5
RUN4920
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-4_13
sdf
pdb
0.5
± 0.2
RUN1903
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ee5ed7c8-6_2
sdf
pdb
0.5
± 0.4
RUN3038
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-4_2
sdf
pdb
0.5
± 0.5
RUN3729
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-5_1
sdf
pdb
0.5
± 0.2
RUN4160
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-39_2
sdf
pdb
0.5
± 0.1
RUN2876
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-650655fc-8_2
sdf
pdb
0.53
± 0.10
RUN3385
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-24_1
sdf
pdb
0.5
± 0.3
RUN1830
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-100_1
sdf
pdb
0.5
± 0.5
RUN2719
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-25_8
sdf
pdb
0.53
± 0.07
RUN3548
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-cf4b0d25-3_2
sdf
pdb
0.5
± 0.2
RUN1927
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-4c7486ba-4_1
sdf
pdb
0.5
± 0.5
RUN3541
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-c3ef0aba-1_1
sdf
pdb
0.5
± 0.2
RUN1831
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-99_2
sdf
pdb
0.5
± 0.5
RUN1123
PET-UNK-29afea89-2_1
sdf
pdb
JOH-SUS-a69c159d-4_2
sdf
pdb
0.5
± 0.3
RUN4925
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-5_2
sdf
pdb
0.5
± 0.1
RUN2943
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-4_4
sdf
pdb
0.5
± 0.3
RUN3042
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-9_1
sdf
pdb
0.5
± 0.3
RUN2516
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-5_5
sdf
pdb
0.5
± 0.3
RUN3652
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-58fba2bc-2_2
sdf
pdb
0.5
± 0.2
RUN1984
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-20_1
sdf
pdb
0.5
± 0.5
RUN1832
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-99_3
sdf
pdb
0.5
± 0.4
RUN2771
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbbfd3db-5_1
sdf
pdb
0.5
± 0.3
RUN4575
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-bcc8fd08-5_1
sdf
pdb
0.5
± 0.3
RUN4797
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-24589f88-14_4
sdf
pdb
0.5
± 0.3
RUN1867
PET-UNK-29afea89-2_1
sdf
pdb
CHO-MSK-5891c1ff-12_1
sdf
pdb
0.5
± 0.4
RUN4259
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_52
sdf
pdb
0.5
± 0.2
RUN2178
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-76695c4f-10_2
sdf
pdb
0.5
± 0.3
RUN980
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-16_8
sdf
pdb
0.5
± 0.4
RUN4362
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-d1eb1f41-10_1
sdf
pdb
0.5
± 0.2
RUN717
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-9_7
sdf
pdb
0.5
± 0.2
RUN2698
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-21_2
sdf
pdb
0.55
± 0.07
RUN4696
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-4_3
sdf
pdb
0.5
± 0.2
RUN90
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-110_1
sdf
pdb
0.5
± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
Generated by
fah-xchem
version 0.1.0+79.gd44a60c.dirty