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 −12.1 ± 0.3
2 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 −12.0 ± 0.2
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 −11.4 ± 0.3
4 VLA-UNK-f702bf1c-5_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@@H]6CCC(=O)NC6 −11.3 ± 0.2
5 VLA-MRT-8c78ee15-3_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −11.1 ± 0.2
6 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 −11.1 ± 0.3
7 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 −11.1 ± 0.3
8 VLA-UNK-f702bf1c-5_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CCC(=O)NC6 −11.1 ± 0.2
9 VLA-UNK-56836b69-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O −11.05 ± 0.09
10 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 −11.0 ± 0.3
11 VLA-UNK-f702bf1c-6_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −11.0 ± 0.2
12 VLA-UNK-f702bf1c-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6ccn[nH]6 −10.9 ± 0.1
13 VLA-UNK-56836b69-5_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O −10.9 ± 0.1
14 VLA-UCB-34f3ed0c-14_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −10.9 ± 0.2
15 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 −10.8 ± 0.4
16 VLA-UNK-3a43cd95-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O −10.76 ± 0.08
17 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
18 VLA-MRT-a639d434-2_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −10.6 ± 0.2
19 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 −10.6 ± 0.3
20 VLA-MRT-8c78ee15-4_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −10.5 ± 0.2
21 MAT-POS-2e8b2191-8_2 molecule CN1C(=O)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.5 ± 0.1
22 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 −10.5 ± 0.2
23 VLA-UCB-34f3ed0c-11_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.50 ± 0.07
24 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 −10.3 ± 0.3
25 VLA-UNK-cf7facf1-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.33 ± 0.07
26 EDJ-MED-7587a9ee-1_1 molecule CN1C(=O)N(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.3 ± 0.1
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-UCB-29506327-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.27 ± 0.07
29 MAT-POS-2e8b2191-8_1 molecule CN1C(=O)N(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −10.3 ± 0.1
30 VLA-MRT-a639d434-1_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −10.1 ± 0.2
31 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
32 MAT-POS-1bed62cf-2_1 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.0 ± 0.1
33 VLA-UNK-f702bf1c-8_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6[nH]ncn6 −10.0 ± 0.2
34 MAT-POS-be048f2c-8_1 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.0 ± 0.2
35 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 −10.0 ± 0.2
36 VLA-UNK-f702bf1c-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6ccn[nH]6 −9.9 ± 0.1
37 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 −9.9 ± 0.3
38 EDJ-MED-9f4ac58c-5_1 molecule COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl −9.9 ± 0.3
39 VLA-UNK-56836b69-3_1 molecule CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 −9.9 ± 0.1
40 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 −9.9 ± 0.3
41 JOH-MSK-1f2dff76-1_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −9.9 ± 0.3
42 EDJ-MED-9f4ac58c-4_1 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.8 ± 0.4
43 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 −9.8 ± 0.4
44 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 −9.8 ± 0.3
45 VLA-UNK-f702bf1c-4_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@@H]6CC(=O)NC6 −9.8 ± 0.2
46 LUO-POS-868e8996-7_1 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.8 ± 0.1
47 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 −9.8 ± 0.5
48 MAT-POS-40ad851a-3_1 molecule CC[NH+](CC)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.8 ± 0.5
49 EDJ-MED-8bb691af-3_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3)c4cncc5c4cccc5)Cl −9.8 ± 0.2
50 VLA-UNK-f702bf1c-3_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6[nH]ncn6 −9.8 ± 0.1
51 VLA-MRT-8c78ee15-3_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −9.8 ± 0.2
52 LUO-POS-868e8996-8_1 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.7 ± 0.1
53 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
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 −9.7 ± 0.3
55 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 −9.6 ± 0.2
56 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 −9.6 ± 0.5
57 BEN-BAS-c2bc0d80-7_1 molecule CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 −9.58 ± 0.08
58 MAT-POS-1bed62cf-3_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −9.5 ± 0.2
59 EDJ-MED-8bb691af-9_1 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.5 ± 0.1
60 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 ± 0.4
61 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 −9.4 ± 0.3
62 VLA-MRT-a639d434-1_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl −9.4 ± 0.2
63 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 −9.4 ± 0.3
64 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 −9.3 ± 0.3
65 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
66 VLA-MRT-a639d434-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O −9.2 ± 0.2
67 MAT-POS-40ad851a-1_4 molecule C[N@H+]1CCC[C@H]1COc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −9.2 ± 0.5
68 VLA-MRT-8c78ee15-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O −9.2 ± 0.2
69 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 −9.2 ± 0.5
70 EDJ-MED-dfa1d800-3_1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl −9.2 ± 0.3
71 EDJ-MED-ee81482e-3_1 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 −9.1 ± 0.7
72 BEN-BAS-c2bc0d80-6_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.13 ± 0.05
73 MAT-POS-40ad851a-1_6 molecule C[N@H+]1CCC[C@@H]1COc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −9.1 ± 0.6
74 VLA-UCB-05e51b3f-5_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.08 ± 0.04
75 VLA-UCB-50c39ae8-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04
76 VLA-MRT-a639d434-3_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O −9.1 ± 0.2
77 MAT-POS-94643566-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.04 ± 0.04
78 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
79 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 −8.9 ± 0.2
80 VLA-UNK-3a43cd95-3_1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl −8.93 ± 0.06
81 MAT-POS-983b399a-3_1 molecule c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O −8.92 ± 0.09
82 VLA-MRT-8c78ee15-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O −8.9 ± 0.2
83 MAT-POS-90505e2b-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.88 ± 0.05
84 MAT-POS-ec6d90b7-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.88 ± 0.06
85 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 −8.9 ± 0.4
86 JOH-MSK-1f2dff76-2_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −8.8 ± 0.2
87 VLA-UNK-f702bf1c-7_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CC[NH2+]CC6 −8.8 ± 0.3
88 EDJ-MED-98c0a822-3_1 molecule CNC(=O)C1(CCC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.8 ± 0.2
89 MAT-POS-1bed62cf-3_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −8.8 ± 0.3
90 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 −8.8 ± 0.4
91 PET-UNK-94036022-2_1 molecule C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.8 ± 0.4
92 MAT-POS-50a80394-2_3 molecule CC[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −8.7 ± 0.4
93 MAT-POS-ec6d90b7-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.67 ± 0.06
94 EDJ-MED-468565e0-2_2 molecule c1cc2cncc(c2cc1OCC[NH+]3CCOCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.6 ± 0.7
95 EDJ-MED-b6c6ee2b-3_1 molecule COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.6 ± 0.3
96 ALP-POS-ecbed2ba-4_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.6 ± 0.4
97 EDJ-MED-159244ea-3_1 molecule c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O −8.6 ± 0.1
98 EDJ-MED-b6c6ee2b-5_1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCC[NH+](C)C)c5cc(ccc5C1=O)Cl −8.6 ± 0.3
99 EDJ-MED-8bb691af-3_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3)c4cncc5c4cccc5)Cl −8.6 ± 0.2
100 EDJ-MED-5cd3920d-3_1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl −8.6 ± 0.2
Last updated 2022-01-08T06:37:21.173141+00:00
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