Compounds

Showing 1 through 100 of 321
Rank Compound SMILES ΔG / kcal M-1 pIC50
1 MAT-POS-40ad851a-1 molecule CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −12.5 ± 0.9 9.1 ± 0.7
2 VLA-UNK-f702bf1c-6 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −12.0 ± 0.2 8.8 ± 0.1
3 EDJ-MED-9f4ac58c-6 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −11.7 ± 0.3 8.5 ± 0.2
4 VLA-UNK-61877630-9 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)c5cc(ccc5CN(C4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −11.6 ± 0.3 8.5 ± 0.2
5 VLA-UNK-f702bf1c-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6cc[nH]n6 −11.6 ± 0.2 8.4 ± 0.1
6 VLA-UCB-34f3ed0c-14 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −11.5 ± 0.2 8.4 ± 0.1
7 ALP-POS-ecbed2ba-20 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 −11.4 ± 0.5 8.3 ± 0.4
8 JOH-MSK-cef8a2bc-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(c(c5)Cl)Cl)S(=O)(=O)CC6(CC6)C#N)N(C3=O)CC7CCC(=O)NC7 −11.3 ± 0.4 8.2 ± 0.3
9 MAT-POS-be048f2c-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 −11.2 ± 0.1 8.2 ± 0.1
10 LUO-POS-8484f2d3-2 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.9 ± 0.5 7.9 ± 0.4
11 VLA-UNK-f702bf1c-7 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CCNCC6 −10.8 ± 0.2 7.9 ± 0.2
12 MAT-POS-40ad851a-5 molecule c1cc2cncc(c2cc1OCCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.8 ± 0.5 7.9 ± 0.3
13 MAT-POS-c2d406ed-4 molecule CN1C(=S)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.7 ± 0.2 7.8 ± 0.2
14 EDJ-MED-9f4ac58c-5 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl −10.7 ± 0.4 7.8 ± 0.3
15 MAT-POS-853c0ffa-9 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.7 ± 0.6 7.8 ± 0.4
16 LUO-POS-8484f2d3-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.6 ± 0.5 7.7 ± 0.4
17 EDJ-MED-dfa1d800-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl −10.5 ± 0.3 7.7 ± 0.2
18 EDJ-MED-9f4ac58c-4 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.5 ± 0.5 7.7 ± 0.4
19 EDJ-MED-dfa1d800-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl −10.5 ± 0.3 7.6 ± 0.2
20 ALP-POS-ecbed2ba-9 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CC(C6)C#N −10.5 ± 0.3 7.6 ± 0.2
21 VLA-UNK-f702bf1c-5 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCC(=O)NC6 −10.5 ± 0.2 7.6 ± 0.1
22 EDJ-MED-cc48ee33-3 molecule Cn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.4 ± 0.1 7.57 ± 0.08
23 MAT-POS-50a80394-3 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −10.4 ± 0.4 7.5 ± 0.3
24 EDJ-MED-dfa1d800-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl −10.3 ± 0.4 7.5 ± 0.3
25 EDJ-MED-9f4ac58c-8 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −10.3 ± 0.5 7.5 ± 0.3
26 MAT-POS-be048f2c-8 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.3 ± 0.2 7.5 ± 0.1
27 EDJ-MED-9f4ac58c-7 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl −10.2 ± 0.3 7.5 ± 0.2
28 MAT-POS-be048f2c-5 molecule CCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.2 ± 0.1 7.46 ± 0.10
29 EDJ-MED-ee81482e-3 molecule CN(C)CC(COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −10.2 ± 0.6 7.4 ± 0.5
30 MAT-POS-be048f2c-6 molecule CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.2 ± 0.2 7.4 ± 0.2
31 EDJ-MED-ee81482e-4 molecule c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.1 ± 0.5 7.4 ± 0.3
32 MAT-POS-853c0ffa-10 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC −10.1 ± 0.5 7.4 ± 0.4
33 PET-UNK-94036022-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −10.1 ± 0.3 7.4 ± 0.2
34 VLA-UNK-f702bf1c-8 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6nc[nH]n6 −10.1 ± 0.2 7.4 ± 0.1
35 EDJ-MED-dfa1d800-5 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl −10.1 ± 0.3 7.4 ± 0.2
36 EDJ-MED-98c0a822-3 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.0 ± 0.2 7.3 ± 0.2
37 MAT-POS-c2d406ed-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −10.0 ± 0.2 7.3 ± 0.2
38 EDJ-MED-7d88f880-3 molecule CS(=N)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.0 ± 0.3 7.3 ± 0.2
39 VLA-UNK-f702bf1c-4 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CC(=O)NC6 −10.0 ± 0.2 7.3 ± 0.1
40 MAT-POS-2e8b2191-8 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −9.9 ± 0.1 7.24 ± 0.09
41 EDJ-MED-b6c6ee2b-5 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −9.9 ± 0.3 7.2 ± 0.2
42 PET-UNK-aa57768f-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.9 ± 0.1 7.19 ± 0.08
43 EDJ-MED-7e491f08-1 molecule c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F −9.8 ± 0.5 7.2 ± 0.4
44 JOH-MSK-ccc6e4c0-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(c(c5)Cl)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −9.8 ± 0.2 7.2 ± 0.2
45 ALP-POS-ecbed2ba-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCS(=O)(=O)CC6)C#N −9.8 ± 0.3 7.2 ± 0.2
46 EDJ-MED-9f4ac58c-1 molecule c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.8 ± 0.3 7.1 ± 0.2
47 VLA-UNK-f702bf1c-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6cc[nH]n6 −9.8 ± 0.1 7.1 ± 0.1
48 MAT-POS-38eb6498-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −9.8 ± 0.2 7.1 ± 0.2
49 EDJ-MED-dfa1d800-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl −9.8 ± 0.3 7.1 ± 0.3
50 EDJ-MED-9f4ac58c-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.8 ± 0.4 7.1 ± 0.3
51 PET-UNK-94036022-12 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.8 ± 0.4 7.1 ± 0.3
52 EDJ-MED-468565e0-2 molecule c1cc2cncc(c2cc1OCCN3CCOCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −9.7 ± 0.5 7.1 ± 0.4
53 EDJ-MED-7e491f08-2 molecule CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 −9.7 ± 0.1 7.06 ± 0.09
54 EDJ-MED-cc48ee33-5 molecule Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.7 ± 0.1 7.1 ± 0.1
55 EDJ-MED-b6c6ee2b-3 molecule COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.7 ± 0.3 7.1 ± 0.2
56 PET-UNK-6af7266d-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −9.65 ± 0.09 7.03 ± 0.07
57 PET-UNK-6af7266d-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −9.6 ± 0.1 7.02 ± 0.09
58 PET-UNK-6af7266d-4 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −9.61 ± 0.09 7.00 ± 0.07
59 VLA-UCB-29506327-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O −9.59 ± 0.07 6.99 ± 0.05
60 PET-UNK-77d5678a-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.59 ± 0.09 6.99 ± 0.06
61 VLA-UNK-cf7facf1-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O −9.58 ± 0.06 6.98 ± 0.04
62 VLA-UCB-34f3ed0c-11 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −9.57 ± 0.06 6.97 ± 0.05
63 EDJ-MED-5cd3920d-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl −9.6 ± 0.1 6.97 ± 0.10
64 JOH-MSK-b735e33c-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)N(C3=O)CC6CCC(=O)NC6 −9.6 ± 0.2 7.0 ± 0.2
65 MAT-POS-853c0ffa-19 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCN(C)C)Cl −9.6 ± 0.3 7.0 ± 0.2
66 VLA-UCB-34f3ed0c-15 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CN6CCNCC6 −9.5 ± 0.3 7.0 ± 0.2
67 ALP-POS-ecbed2ba-11 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCOCC6)C#N −9.5 ± 0.4 6.9 ± 0.3
68 LUO-POS-868e8996-10 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.5 ± 0.4 6.9 ± 0.3
69 PET-UNK-77d5678a-5 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.53 ± 0.10 6.94 ± 0.07
70 EDJ-MED-7587a9ee-1 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −9.5 ± 0.1 6.94 ± 0.09
71 PET-UNK-6af7266d-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −9.5 ± 0.1 6.9 ± 0.1
72 MAT-POS-c2d406ed-2 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.5 ± 0.2 6.9 ± 0.1
73 EDJ-MED-5cd3920d-1 molecule c1cc2cncc(c2cc1OC(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.5 ± 0.3 6.9 ± 0.2
74 MAT-POS-853c0ffa-11 molecule CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −9.5 ± 0.4 6.9 ± 0.3
75 MAT-POS-1bed62cf-2 molecule CNC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.5 ± 0.1 6.91 ± 0.08
76 12_-111-3e02a1cd-1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.45 ± 0.10 6.89 ± 0.07
77 LUO-POS-868e8996-8 molecule CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.4 ± 0.1 6.88 ± 0.08
78 ALP-POS-ecbed2ba-17 molecule CN(CC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.4 ± 0.5 6.9 ± 0.4
79 EDJ-MED-5cd3920d-2 molecule c1cc2cncc(c2cc1C(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.4 ± 0.3 6.9 ± 0.2
80 ALP-POS-ecbed2ba-21 molecule CN(CCOC)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.4 ± 0.2 6.9 ± 0.2
81 MAT-POS-c2d406ed-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=S −9.4 ± 0.2 6.8 ± 0.2
82 12_-111-3e02a1cd-2 molecule COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.39 ± 0.09 6.84 ± 0.07
83 LUO-POS-d1147590-1 molecule CN1CCC(CC1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −9.4 ± 0.6 6.8 ± 0.4
84 LUO-POS-868e8996-7 molecule CNC(=O)CN1C[C@@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.4 ± 0.1 6.84 ± 0.08
85 EDJ-MED-976a33d5-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.4 ± 0.1 6.83 ± 0.09
86 MAT-POS-38eb6498-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl −9.4 ± 0.1 6.8 ± 0.1
87 LUO-POS-8c3e556a-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −9.4 ± 0.1 6.81 ± 0.09
88 EDJ-MED-cc48ee33-4 molecule Cc1cnn(c1C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C −9.3 ± 0.1 6.81 ± 0.10
89 LUO-POS-8c3e556a-2 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −9.3 ± 0.1 6.81 ± 0.09
90 PET-UNK-77d5678a-6 molecule COC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.3 ± 0.1 6.81 ± 0.07
91 ALP-POS-ecbed2ba-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 −9.3 ± 0.7 6.8 ± 0.5
92 MAT-POS-853c0ffa-16 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl −9.3 ± 0.3 6.8 ± 0.2
93 MIK-ENA-37e0b697-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.3 ± 0.1 6.77 ± 0.09
94 PET-UNK-94036022-4 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −9.3 ± 0.3 6.8 ± 0.2
95 MAT-POS-50a80394-4 molecule CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −9.3 ± 0.2 6.7 ± 0.2
96 PET-UNK-94036022-2 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.3 ± 0.3 6.7 ± 0.2
97 ALP-POS-ecbed2ba-16 molecule CN(CCC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.3 ± 0.6 6.7 ± 0.4
98 MAT-POS-853c0ffa-12 molecule CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O −9.2 ± 0.4 6.7 ± 0.3
99 ALP-POS-ecbed2ba-10 molecule COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.2 ± 0.3 6.7 ± 0.2
100 LUO-POS-9931618f-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.2 ± 0.1 6.73 ± 0.09
Last updated 2022-01-14T23:53:18.753406+00:00
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