Microstates

Showing 1 through 100 of 487
Rank Microstate SMILES ΔG / kcal M-1
1 MAT-POS-c2d406ed-1_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −13.1 ± 0.3
2 LUO-POS-b5068a05-1_2 molecule C[NH+](C)NC1=N[C@]2(C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −12.5 ± 0.5
3 MAT-POS-c2d406ed-2_2 molecule CN1C(=O)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −11.6 ± 0.3
4 MAT-POS-c2d406ed-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −11.5 ± 0.2
5 VLA-UNK-f702bf1c-5_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@@H]6CCC(=O)NC6 −11.4 ± 0.2
6 VLA-UNK-f702bf1c-6_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −11.3 ± 0.1
7 MAT-POS-c2d406ed-4_2 molecule CN1C(=S)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −11.2 ± 0.4
8 LUO-POS-b5068a05-2_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N −11.0 ± 0.3
9 VLA-UCB-34f3ed0c-14_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −11.0 ± 0.1
10 VLA-UNK-f702bf1c-4_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@@H]6CC(=O)NC6 −10.9 ± 0.1
11 VLA-UNK-56836b69-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O −10.92 ± 0.08
12 VLA-MRT-8c78ee15-4_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −10.7 ± 0.1
13 VLA-UNK-3a43cd95-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O −10.72 ± 0.07
14 MAT-POS-c2d406ed-2_1 molecule CN1C(=O)N(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.7 ± 0.2
15 VLA-UNK-f702bf1c-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6ccn[nH]6 −10.7 ± 0.1
16 VLA-UNK-56836b69-5_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O −10.62 ± 0.09
17 EDJ-MED-8bb691af-3_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3)c4cncc5c4cccc5)Cl −10.5 ± 0.2
18 VLA-MRT-a639d434-1_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −10.5 ± 0.2
19 MAT-POS-2e8b2191-8_1 molecule CN1C(=O)N(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.5 ± 0.1
20 JOH-MSK-1f2dff76-1_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −10.4 ± 0.3
21 EDJ-MED-9f4ac58c-3_1 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.4 ± 0.6
22 VLA-UCB-34f3ed0c-11_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.38 ± 0.06
23 LUO-POS-868e8996-9_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.4 ± 0.3
24 VLA-UCB-29506327-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.38 ± 0.06
25 VLA-UNK-cf7facf1-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.36 ± 0.06
26 VLA-MRT-a639d434-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −10.3 ± 0.2
27 EDJ-MED-7587a9ee-1_2 molecule CN1C(=O)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.3 ± 0.1
28 VLA-MRT-8c78ee15-3_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −10.3 ± 0.2
29 MAT-POS-50a80394-3_3 molecule CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.2 ± 0.4
30 MAT-POS-2e8b2191-8_2 molecule CN1C(=O)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.2 ± 0.1
31 MAT-POS-be048f2c-8_1 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.2 ± 0.1
32 EDJ-MED-fed7ac0b-3_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CN3)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.2 ± 0.4
33 VLA-MRT-8c78ee15-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O −10.2 ± 0.2
34 VLA-UNK-f702bf1c-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6ccn[nH]6 −10.2 ± 0.1
35 EDJ-MED-8bb691af-9_1 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.2 ± 0.1
36 VLA-UNK-f702bf1c-3_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6[nH]ncn6 −10.1 ± 0.1
37 VLA-UNK-56836b69-3_1 molecule CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 −10.13 ± 0.09
38 PET-UNK-94036022-4_1 molecule C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −10.1 ± 0.2
39 MAT-POS-50a80394-2_2 molecule CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.0 ± 0.4
40 PET-UNK-94036022-11_2 molecule C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −10.0 ± 0.3
41 JOH-MSK-1f2dff76-2_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −10.0 ± 0.2
42 VLA-UNK-f702bf1c-4_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CC(=O)NC6 −10.0 ± 0.1
43 MAT-POS-1bed62cf-2_1 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.9 ± 0.1
44 MAT-POS-c2d406ed-4_1 molecule CN1C(=S)N(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.9 ± 0.3
45 EDJ-MED-7587a9ee-1_1 molecule CN1C(=O)N(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −9.9 ± 0.1
46 MAT-POS-be048f2c-5_1 molecule CCn1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.8 ± 0.1
47 LUO-POS-868e8996-8_1 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.8 ± 0.1
48 EDJ-MED-8bb691af-5_2 molecule c1ccc2c(c1)cncc2N3C[C@]4(CC3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.8 ± 0.4
49 PET-UNK-94036022-5_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.7 ± 0.2
50 PET-UNK-94036022-5_2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.7 ± 0.3
51 LUO-POS-868e8996-7_1 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.7 ± 0.1
52 VLA-MRT-a639d434-2_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −9.7 ± 0.2
53 MAT-POS-c2d406ed-3_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=S −9.7 ± 0.3
54 LUO-POS-b5068a05-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N −9.6 ± 0.3
55 PET-UNK-94036022-11_1 molecule C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −9.6 ± 0.2
56 VLA-UNK-f702bf1c-8_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6[nH]ncn6 −9.6 ± 0.2
57 MAT-POS-1bed62cf-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.6 ± 0.3
58 PET-UNK-94036022-4_2 molecule C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −9.5 ± 0.3
59 MAT-POS-1bed62cf-1_2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.5 ± 0.4
60 MAT-POS-be048f2c-7_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 −9.4 ± 0.1
61 PET-UNK-94036022-12_2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.4 ± 0.3
62 PET-UNK-94036022-12_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.4 ± 0.3
63 MAT-POS-50a80394-3_2 molecule CC(C)[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.4 ± 0.4
64 VLA-UNK-f702bf1c-5_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CCC(=O)NC6 −9.4 ± 0.1
65 EDJ-MED-dfa1d800-5_1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl −9.3 ± 0.2
66 VLA-MRT-8c78ee15-4_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −9.3 ± 0.2
67 LUO-POS-868e8996-10_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.3 ± 0.3
68 MAT-POS-50a80394-2_4 molecule CC[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.3 ± 0.4
69 BEN-BAS-c2bc0d80-7_1 molecule CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 −9.29 ± 0.07
70 VLA-UNK-3a43cd95-3_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl −9.18 ± 0.06
71 VLA-MRT-8c78ee15-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O −9.2 ± 0.2
72 EDJ-MED-ee81482e-3_3 molecule C[NH+](C)C[C@@H](COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −9.2 ± 0.9
73 MAT-POS-983b399a-3_1 molecule c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O −9.13 ± 0.07
74 EDJ-MED-8bb691af-5_1 molecule c1ccc2c(c1)cncc2N3C[C@]4(CC3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.1 ± 0.4
75 EDJ-MED-9f4ac58c-6_1 molecule COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.1 ± 0.4
76 VLA-UCB-50c39ae8-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04
77 VLA-UCB-05e51b3f-5_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04
78 BEN-BAS-c2bc0d80-6_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04
79 MAT-POS-94643566-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04
80 VLA-MRT-a639d434-1_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −9.1 ± 0.2
81 MAT-POS-50a80394-1_3 molecule C[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.0 ± 0.4
82 JOH-MSK-1f2dff76-1_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −9.0 ± 0.2
83 VLA-UNK-f702bf1c-7_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CC[NH2+]CC6 −9.0 ± 0.2
84 ALP-POS-ecbed2ba-16_3 molecule C[N@@](CCC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.0 ± 0.7
85 EDJ-MED-9f4ac58c-2_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.9 ± 0.4
86 MAT-POS-576f7758-2_1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.9 ± 0.1
87 EDJ-MED-159244ea-3_1 molecule c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O −8.89 ± 0.08
88 EDJ-MED-98c0a822-3_1 molecule CNC(=O)C1(CCC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.9 ± 0.2
89 EDJ-MED-9f4ac58c-8_1 molecule COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −8.8 ± 0.5
90 EDJ-MED-468565e0-5_1 molecule c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.8 ± 0.4
91 MAT-POS-90505e2b-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.81 ± 0.05
92 LUO-POS-868e8996-10_2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.7 ± 0.4
93 MAT-POS-1bed62cf-3_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −8.7 ± 0.2
94 EDJ-MED-dfa1d800-1_1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+]6CCCC6)c7cc(ccc7C2=O)Cl −8.7 ± 0.3
95 MAT-POS-ec6d90b7-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.67 ± 0.05
96 EDJ-MED-cc48ee33-5_1 molecule Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.7 ± 0.1
97 MAT-POS-ec6d90b7-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.66 ± 0.05
98 MAT-POS-1bed62cf-3_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −8.6 ± 0.2
99 MAT-POS-c2d406ed-3_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=S −8.6 ± 0.3
100 LUO-POS-868e8996-9_2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.6 ± 0.4
Last updated 2022-01-08T06:28:24.208501+00:00
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