Microstates

Showing 1 through 100 of 1077
Rank Microstate SMILES ΔG / kcal M-1
1 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 −12.3 ± 0.6
2 EDJ-MED-9f4ac58c-3_1 molecule CS(=O)(=O)Nc1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −12.3 ± 0.6
3 EDJ-MED-6b23330e-6_2 molecule CC(C)(CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F −12.2 ± 0.3
4 MAT-POS-e75f6e44-9_4 molecule C[C@H](C1CC1)NC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.9 ± 0.3
5 EDJ-MED-6b23330e-5_2 molecule CC1(CC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.9 ± 0.2
6 PET-UNK-c6bcc80b-5_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.8 ± 0.3
7 PET-UNK-c6bcc80b-5_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.8 ± 0.3
8 EDJ-MED-7d88f880-2_1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)[S@](=N)(=O)C)c6cc(ccc6C2=O)Cl −11.7 ± 0.4
9 EDJ-MED-7d88f880-2_1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4ccc(c5)[S@](=N)(=O)C)c6cc(ccc6C2=O)Cl −11.7 ± 0.4
10 VLA-UNK-e334495f-3_2 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@@H]4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −11.5 ± 0.3
11 VLA-UNK-e334495f-3_2 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@@H]4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −11.5 ± 0.3
12 EDJ-MED-7d88f880-3_2 molecule C[S@](=N)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.5 ± 0.6
13 EDJ-MED-7d88f880-3_2 molecule C[S@](=N)(=O)c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.5 ± 0.6
14 MAT-POS-e75f6e44-11_2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N −11.5 ± 0.3
15 MAT-POS-e75f6e44-16_1 molecule C[NH+]1CC(C1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.4 ± 0.6
16 MAT-POS-e75f6e44-16_1 molecule C[NH+]1CC(C1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.4 ± 0.6
17 MAT-POS-e75f6e44-16_1 molecule C[NH+]1CC(C1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl −11.4 ± 0.6
18 MAT-POS-e75f6e44-16_1 molecule CN1CC(C1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.4 ± 0.6
19 PET-UNK-c6bcc80b-13_1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl −11.4 ± 0.4
20 PET-UNK-c6bcc80b-13_1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl −11.4 ± 0.4
21 PET-UNK-77d5678a-1_2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 −11.4 ± 0.5
22 MAT-POS-38eb6498-3_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl −11.4 ± 0.6
23 MAT-POS-38eb6498-3_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl −11.4 ± 0.6
24 MAT-POS-38eb6498-3_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+](C)C)Cl −11.4 ± 0.6
25 MAT-POS-38eb6498-3_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −11.4 ± 0.6
26 MAT-POS-38eb6498-3_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+](C)C)Cl −11.4 ± 0.6
27 MAT-POS-38eb6498-3_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −11.4 ± 0.6
28 EDJ-MED-0d144977-5_1 molecule Cn1cc[nH+]c1CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −11.3 ± 0.3
29 EDJ-MED-0d144977-5_1 molecule Cn1cc[nH+]c1CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl −11.3 ± 0.3
30 EDJ-MED-0d144977-5_1 molecule Cn1ccnc1CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −11.3 ± 0.3
31 PET-UNK-c6bcc80b-12_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.2 ± 0.3
32 PET-UNK-c6bcc80b-12_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.2 ± 0.3
33 PET-UNK-c6bcc80b-5_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.1 ± 0.7
34 PET-UNK-c6bcc80b-5_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.1 ± 0.7
35 PET-UNK-c6bcc80b-5_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.1 ± 0.7
36 PET-UNK-c6bcc80b-5_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(c(c5)NS(=O)(=O)C)F)Cl −11.1 ± 0.7
37 LUO-POS-868e8996-12_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −11.1 ± 0.3
38 EDJ-MED-b6c6ee2b-1_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl −11.1 ± 0.5
39 EDJ-MED-b6c6ee2b-1_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl −11.1 ± 0.5
40 EDJ-MED-b6c6ee2b-1_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+](C)C)Cl −11.1 ± 0.5
41 EDJ-MED-b6c6ee2b-1_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −11.1 ± 0.5
42 EDJ-MED-b6c6ee2b-1_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+](C)C)Cl −11.1 ± 0.5
43 EDJ-MED-b6c6ee2b-1_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −11.1 ± 0.5
44 ALP-POS-ecbed2ba-14_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC#N −11.0 ± 0.4
45 ALP-POS-ecbed2ba-14_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC#N −11.0 ± 0.4
46 ALP-POS-ecbed2ba-14_1 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC#N −11.0 ± 0.4
47 VLA-UNK-e334495f-4_2 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@@H]4C(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −11.0 ± 0.4
48 VLA-UNK-e334495f-4_2 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@@H]4C(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −11.0 ± 0.4
49 PET-UNK-94036022-14_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl −11.0 ± 0.5
50 PET-UNK-94036022-14_1 molecule CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl −11.0 ± 0.5
51 MAT-POS-b4d6b7fc-7_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl −11.0 ± 0.2
52 MAT-POS-b4d6b7fc-7_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4ccc(c5)NS(=O)(=O)C)Cl −11.0 ± 0.2
53 MAT-POS-b4d6b7fc-7_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl −11.0 ± 0.2
54 MAT-POS-b4d6b7fc-7_1 molecule CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4ccc(c5)NS(=O)(=O)C)Cl −11.0 ± 0.2
55 EDJ-MED-6b23330e-6_1 molecule CC(C)(CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F −10.9 ± 0.5
56 EDJ-MED-6b23330e-6_1 molecule CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F −10.9 ± 0.5
57 EDJ-MED-6b23330e-6_1 molecule CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl)F −10.9 ± 0.5
58 MAT-POS-566864e2-2_2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.9 ± 0.3
59 MAT-POS-566864e2-1_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.9 ± 0.6
60 MAT-POS-566864e2-1_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.9 ± 0.6
61 MAT-POS-566864e2-1_1 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.9 ± 0.6
62 PET-UNK-aa57768f-1_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]co6 −10.9 ± 0.2
63 PET-UNK-aa57768f-1_1 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]co6 −10.9 ± 0.2
64 EDJ-MED-0d144977-4_1 molecule Cn1c(nc[nH+]1)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.9 ± 0.3
65 EDJ-MED-0d144977-4_1 molecule Cn1c(nc[nH+]1)CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl −10.9 ± 0.3
66 EDJ-MED-b6c6ee2b-2_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl −10.9 ± 0.3
67 EDJ-MED-b6c6ee2b-2_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OC)Cl −10.9 ± 0.3
68 MAT-POS-b4d6b7fc-5_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −10.8 ± 0.3
69 MAT-POS-50a80394-6_2 molecule CC(C)[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −10.8 ± 0.5
70 MAT-POS-50a80394-6_2 molecule CC(C)[C@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −10.8 ± 0.5
71 MAT-POS-50a80394-6_2 molecule CC(C)[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 −10.8 ± 0.5
72 EDJ-MED-9f4ac58c-1_1 molecule c1cc2c(cc1Cl)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.8 ± 0.4
73 PET-UNK-aa57768f-7_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]co6 −10.7 ± 0.2
74 PET-UNK-aa57768f-7_1 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]co6 −10.7 ± 0.2
75 MAT-POS-e75f6e44-9_1 molecule C[C@@H](C1CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.7 ± 0.6
76 MAT-POS-e75f6e44-9_1 molecule C[C@@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.7 ± 0.6
77 MAT-POS-e75f6e44-9_1 molecule C[C@@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl −10.7 ± 0.6
78 EDJ-MED-6b23330e-1_2 molecule CC(C)CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −10.7 ± 0.2
79 MAT-POS-c7726e07-6_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −10.6 ± 0.3
80 EDJ-MED-0d144977-1_1 molecule CC1=NC(=C[NH2+]1)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.6 ± 0.4
81 EDJ-MED-0d144977-1_1 molecule Cc1[nH]cc([nH+]1)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.6 ± 0.4
82 EDJ-MED-0d144977-2_1 molecule Cn1c[nH+]cc1CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.6 ± 0.3
83 EDJ-MED-0d144977-2_1 molecule Cn1c[nH+]cc1CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl −10.6 ± 0.3
84 MAT-POS-e75f6e44-7_1 molecule C[NH+](C)C1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.6 ± 0.2
85 MAT-POS-e75f6e44-7_1 molecule C[NH+](C)C1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.6 ± 0.2
86 MAT-POS-e75f6e44-7_1 molecule C[NH+](C)C1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl −10.6 ± 0.2
87 MAT-POS-e75f6e44-7_1 molecule CN(C)C1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.6 ± 0.2
88 MAT-POS-96396902-1_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 −10.6 ± 0.7
89 MAT-POS-96396902-1_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 −10.6 ± 0.7
90 MAT-POS-96396902-1_1 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 −10.6 ± 0.7
91 EDJ-MED-a12e3a20-1_1 molecule c1ccc2c(c1)cncc2N3CC(=O)[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.5 ± 0.9
92 ALP-POS-c3a90b22-10_2 molecule CNC(=O)C1(CCOCC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.5 ± 0.2
93 MAT-POS-e75f6e44-16_2 molecule C[NH+]1CC(C1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.5 ± 0.3
94 ALP-POS-c3a90b22-8_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N −10.5 ± 0.4
95 ALP-POS-c3a90b22-8_1 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N −10.5 ± 0.4
96 ALP-POS-ecbed2ba-12_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.4 ± 0.3
97 ALP-POS-ecbed2ba-12_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.4 ± 0.3
98 ALP-POS-ecbed2ba-12_1 molecule c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −10.4 ± 0.3
99 EDJ-MED-cc48ee33-7_1 molecule Cn1c(cc[nH+]1)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.4 ± 0.3
100 EDJ-MED-cc48ee33-7_1 molecule Cn1c(cc[nH+]1)CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl −10.4 ± 0.3
Last updated 2022-02-22T15:02:59.609868+00:00
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