Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
1 |
VLA-UNK-83c3754c-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(COc5c4cc(cc5)Cl)NC3=O |
−15.9
± 0.2
|
2 |
MIC-UNK-9582b2c5-1_6
|
|
CC(=O)N1CC[C@H]2[C@@H](C1)CN(C(=O)[C@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−15.7
± 0.2
|
3 |
ADA-UCB-dc2b944c-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[N@@H+]([C@@]4(C3=O)CCOc5c4cc(cc5)Cl)CC6CCCCC6 |
−15.7
± 0.4
|
4 |
VLA-UCB-34f3ed0c-18_1
|
|
c1ccc2c(c1)cncc2N3C(=O)CN([C@@]4(C3=O)CCOc5c4cc(cc5)Cl)C(=O)N6CC[NH2+]CC6 |
−15.4
± 0.3
|
5 |
VLA-UCB-34f3ed0c-11_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O |
−15.4
± 0.2
|
6 |
VLA-UCB-50c39ae8-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−15.3
± 0.2
|
7 |
VLA-UCB-50c39ae8-9_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl)CCC6CCCCC6 |
−15.3
± 0.4
|
8 |
ADA-UCB-dc2b944c-1_2
|
|
c1ccc2c(c1)cncc2N3C(=O)C[N@H+]([C@@]4(C3=O)CCOc5c4cc(cc5)Cl)CC6CCCCC6 |
−15.3
± 0.3
|
9 |
BEN-BAS-c2bc0d80-6_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−15.0
± 0.2
|
10 |
VLA-UCB-34f3ed0c-16_1
|
|
c1ccc2c(c1)cncc2N3C(=O)CN([C@@]4(C3=O)CCOc5c4cc(cc5)Cl)C(=O)Cc6ccn[nH]6 |
−15.0
± 0.3
|
11 |
VLA-UCB-50c39ae8-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−14.7
± 0.2
|
12 |
EN300-202106_1_1_1 |
|
Cn1c2c(c(ccn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)nn1 |
−14.6
± 0.2
|
13 |
VLA-UNK-83c3754c-2_1
|
|
CN1C(=O)N(C(=O)[C@@]12COc3c2cc(cc3)Cl)c4cncc5c4cccc5 |
−14.3
± 0.2
|
14 |
EN300-125143_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCCC(=O)N |
−14.3
± 0.3
|
15 |
EN300-1932780_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C(F)F)O |
−14.2
± 0.2
|
16 |
VLA-UCB-1dbca3b4-18_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@H](CNC3=O)c4cccc(c4)Cl |
−14.2
± 0.3
|
17 |
EN300-1709410_2_3_1 |
|
C[C@@H]1C[C@H](N1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO |
−14.1
± 0.3
|
18 |
DAR-DIA-5d6f1b43-10_1
|
|
c1ccc2c(c1)cncc2N3CCC4(CCCCC4)N(C3=O)c5cccc(c5)Cl |
−14.1
± 0.2
|
19 |
EDJ-MED-6864a934-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]n6c5ncc6 |
−13.9
± 0.2
|
20 |
PET-UNK-431b3bfb-1_1
|
|
c1ccc2c(c1)cncc2N3CCO[C@H](C3=O)c4cccc(c4)Cl |
−13.9
± 0.2
|
21 |
EN300-106352_2_1_1 |
|
CN(C)c1c(c(=O)[nH]cn1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.9
± 0.4
|
22 |
EN300-1273202_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCNC(=O)C(C5)(F)F |
−13.9
± 0.3
|
23 |
ED_-GRI-5b13fbe2-66_3
|
|
C[N@@H+]1CCO[C@H](C1)c2ncc(cn2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−13.9
± 0.2
|
24 |
EN300-719522_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H]6[C@@H]5CCOC6 |
−13.8
± 0.2
|
25 |
ALP-POS-477dc5b7-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−13.8
± 0.3
|
26 |
EN300-110423_1_1_1 |
|
Cc1c(c(=O)[nH]o1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.8
± 0.2
|
27 |
EN300-211158_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cc(c5)CO)CO |
−13.8
± 0.3
|
28 |
BEN-BAS-5c03e89e-2_4
|
|
CC(C)([C@H]1C=Nc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl)O |
−13.8
± 0.2
|
29 |
EN300-92031_3_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5[NH2+][C@@H](NO5)c6[nH]ncn6 |
−13.8
± 0.6
|
30 |
MIC-UNK-50cce87d-8_2
|
|
COc1cccc2c1c(cnc2)N3CC[C@H](C3=O)c4cccc(c4)Cl |
−13.8
± 0.3
|
31 |
VLA-UCB-50c39ae8-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl)CCC6CCCCC6 |
−13.7
± 0.4
|
32 |
VLA-UCB-34f3ed0c-17_1
|
|
c1ccc2c(c1)cncc2N3C(=O)CN([C@@]4(C3=O)CCOc5c4cc(cc5)Cl)C(=O)C6CCCCC6 |
−13.7
± 0.3
|
33 |
PET-UNK-7be94445-1_1
|
|
c1ccc2c(c1)cncc2N3CCCN(C3=O)c4cccc(c4)Cl |
−13.7
± 0.2
|
34 |
EN300-6482967_4_1_1 |
|
CNS(=O)(=O)CCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−13.7
± 0.4
|
35 |
EN300-116313_1_1_1 |
|
CC(=O)N1CCOC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.6
± 0.2
|
36 |
ALP-POS-e0fe77e5-1_1
|
|
c1ccc2c(c1)cncc2N3CCC[C@@H](C3=O)c4ccc(c(c4)Cl)Cl |
−13.6
± 0.2
|
37 |
VLA-UCB-34f3ed0c-12_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)CNC3=O |
−13.5
± 0.2
|
38 |
EN300-1681046_1_1_1 |
|
Cn1c2c(c(n1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)COCC2 |
−13.5
± 0.3
|
39 |
EN300-171522_1_1_1 |
|
Cn1ccc(=O)c(c1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.4
± 0.3
|
40 |
EN300-30687_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(c5)OCC(=O)N |
−13.4
± 0.3
|
41 |
DAR-DIA-5ff57136-16_1_1
|
|
C[C@@H](C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−13.3
± 0.1
|
42 |
EDJ-MED-6864a934-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5nnc6 |
−13.3
± 0.2
|
43 |
EN300-05798_1_1_1 |
|
Cn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.3
± 0.2
|
44 |
EN300-86205_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5C(=O)NC=[NH+]C5=O |
−13.2
± 0.3
|
45 |
MIC-UNK-50cce87d-5_1
|
|
c1cc(cc(c1)Cl)[C@@H]2CCN(C2=O)c3cncc4c3c(ccc4)F |
−13.2
± 0.2
|
46 |
DAR-DIA-9e4459de-15_3
|
|
c1cc2c(c(c1)NC(=O)CCC(=O)Nc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O |
−13.2
± 0.2
|
47 |
EDJ-MED-6864a934-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cc(c5)CO)CO |
−13.2
± 0.3
|
48 |
EN300-301925_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCOC5)C#N |
−13.2
± 0.3
|
49 |
VLA-UCB-34f3ed0c-1_1
|
|
C=C(C#N)C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−13.2
± 0.1
|
50 |
EN300-36731_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(ccs5)n6cnnn6 |
−13.2
± 0.2
|
51 |
EN300-378044_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC=CCO5 |
−13.1
± 0.3
|
52 |
PET-UNK-3e354a91-1_1
|
|
c1ccc2c(c1)cncc2N3[C@H](CC[C@H](C3=O)c4cccc(c4)Cl)C#N |
−13.1
± 0.3
|
53 |
VLA-UCB-1dbca3b4-10_2
|
|
c1ccc2c(c1)cncc2N3C(=O)CC[C@H](C3=O)c4cccc(c4)Cl |
−13.1
± 0.3
|
54 |
ALP-POS-e0fe77e5-4_1
|
|
c1ccc2c(c1)cncc2N3CCC[C@@]4(C3=O)CCOc5c4cc(c(c5)Cl)Cl |
−13.1
± 0.2
|
55 |
EN300-7549839_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5n6cnnn6 |
−13.1
± 0.3
|
56 |
JOH-UNI-ea72002d-7_1
|
|
c1ccc2c(c1)cncc2N(C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)NS(=O)(=O)F |
−13.1
± 0.2
|
57 |
DAR-DIA-5ff57136-12_2
|
|
c1ccc2c(c1)cncc2N(C#C[C@H]3CCC[NH2+]3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−13.1
± 0.2
|
58 |
ALP-UNI-3735e77e-1_1
|
|
c1ccc2c(c1)cncc2N3CCC[C@@H](C3=O)c4ccc(c(c4)Cl)Cl |
−13.0
± 0.2
|
59 |
EN300-186536_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCCC5)n6cnnn6 |
−13.0
± 0.3
|
60 |
EN300-378373_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CC5 |
−13.0
± 0.2
|
61 |
VLA-UNK-56836b69-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O |
−13.0
± 0.2
|
62 |
EN300-170985_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5OCCCO5 |
−13.0
± 0.2
|
63 |
VLA-UCB-34f3ed0c-9_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5c[nH]c(=O)o5 |
−13.0
± 0.2
|
64 |
EN300-6497444_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OC[C@@H](C6)O |
−13.0
± 0.3
|
65 |
EDJ-MED-6864a934-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn(n5)CC#N |
−13.0
± 0.3
|
66 |
EN300-260816_3_2_1 |
|
CN1CC[C@H](C1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.0
± 0.3
|
67 |
DAR-DIA-5ff57136-17_1_1
|
|
c1ccc2c(c1)cncc2N(CC#CBr)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−12.9
± 0.2
|
68 |
EN300-1073320_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5(CCC5)O)O |
−12.9
± 0.2
|
69 |
PET-UNK-12d8d43f-1_1
|
|
c1ccc2c(c1)cncc2N(C=O)C(=O)Cc3cccc(c3)Cl |
−12.9
± 0.2
|
70 |
DAR-DIA-5ff57136-16_1
|
|
C[C@@H](C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−12.9
± 0.1
|
71 |
EN300-1709101_1_1_1 |
|
Cc1nc(nn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.9
± 0.2
|
72 |
EN300-658559_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6ccnn6 |
−12.8
± 0.3
|
73 |
PET-UNK-abc197b8-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@H](CNC3=O)c4cccc(c4)Cl |
−12.8
± 0.3
|
74 |
EN300-254908_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)n6cnnn6 |
−12.8
± 0.3
|
75 |
EN300-6739934_1_1_1 |
|
Cc1cc(nn1CCO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.8
± 0.3
|
76 |
EN300-3031933_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@]6(O5)CCOC6 |
−12.8
± 0.3
|
77 |
VLA-UCB-50c39ae8-9_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl)CCC6CCCCC6 |
−12.8
± 0.4
|
78 |
EDG-MED-90036822-19_2
|
|
Cn1ccnc1[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−12.8
± 0.2
|
79 |
EN300-124555_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(nc5)n[nH]n6 |
−12.8
± 0.2
|
80 |
EN300-222357_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCc5cn[nH]n5 |
−12.8
± 0.3
|
81 |
DAR-DIA-9e4459de-15_4
|
|
c1cc2c(c(c1)NC(=O)CCC(=O)Nc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O |
−12.8
± 0.4
|
82 |
DAR-DIA-6be260fc-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNc5c4cc(cc5)Cl |
−12.8
± 0.3
|
83 |
EN300-100689_1_1_1 |
|
CC(=O)N1CCO[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.7
± 0.3
|
84 |
VLA-UCB-34f3ed0c-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5c[nH]c(=O)o5 |
−12.7
± 0.2
|
85 |
EN300-6764836_1_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@@H]6[C@H]([C@@H]([C@H]5O6)O)O |
−12.7
± 0.3
|
86 |
EN300-1644723_1_5_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@@H]6[C@H]5COCC6 |
−12.7
± 0.2
|
87 |
EN300-7431629_1_2_1 |
|
Cc1nnc2n1CC[C@]2(C)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−12.7
± 0.3
|
88 |
VLA-UCB-1dbca3b4-13_1
|
|
c1ccc2c(c1)cncc2N3C(=O)CCN(C3=O)c4cccc(c4)Cl |
−12.7
± 0.3
|
89 |
EN300-748981_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCn6c5nnc6 |
−12.7
± 0.3
|
90 |
MIC-UNK-50cce87d-9_1
|
|
c1cc(cc(c1)Cl)[C@@H]2CCCN(C2=O)c3cncc4c3c(ccc4)F |
−12.7
± 0.3
|
91 |
MAK-UNK-c749d764-29_2
|
|
c1ccc2c(c1)cncc2N(C(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F)C(=O)ON |
−12.7
± 0.3
|
92 |
EN300-128324_1_1_1 |
|
Cn1cc(c(=O)c2c1n(nc2)C)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−12.7
± 0.3
|
93 |
EN300-393341_1_1_1 |
|
COc1cc(nc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC |
−12.6
± 0.2
|
94 |
DAR-DIA-5ff57136-12_2_1
|
|
c1ccc2c(c1)cncc2N(C#C[C@H]3CCC[NH2+]3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−12.6
± 0.2
|
95 |
EN300-6479181_1_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H]6N5C(=O)CC6 |
−12.6
± 0.4
|
96 |
EN300-243465_1_1_1 |
|
Cn1c(cc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−12.6
± 0.2
|
97 |
EN300-685077_1_1_1 |
|
COCCn1cccc(c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.6
± 0.3
|
98 |
EN300-261210_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCOC5)C#N |
−12.6
± 0.3
|
99 |
DAR-DIA-6be260fc-3_1
|
|
C[C@H]1CN(C(=O)[C@@]12CNc3c2cc(cc3)Cl)c4cncc5c4cccc5 |
−12.6
± 0.3
|
100 |
EN300-1600312_1_1_1 |
|
Cc1cc(nn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.6
± 0.2
|