| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 4801 |
EDJ-MED-841e0cf0-6_3
|
|
CN(C)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl |
−3.1
± 0.4
|
| 4802 |
JOH-UNI-3fc3434e-13_1
|
|
CN(c1cncc2c1c(ccc2)CC(F)(F)F)C(=O)Cc3cccc(c3)Cl |
−3.1
± 0.4
|
| 4803 |
MAT-POS-d8472c4f-3_2
|
|
CO[C@]1(CCNc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.1
± 0.4
|
| 4804 |
EDG-MED-ba1ac7b9-14_3
|
|
C[N@@]1CCN(C[C@H]1C#N)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.1
± 0.3
|
| 4805 |
EDJ-MED-ee07cf00-2_2
|
|
Cc1c(c(=O)n2c(n1)cc[nH]2)CC(=O)N[C@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.1
± 0.2
|
| 4806 |
EDG-MED-ba1ac7b9-27_6
|
|
C[C@H]1C[N@@H+](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO |
−3.07
± 0.10
|
| 4807 |
PET-UNK-1320d94d-29_1
|
|
CN([C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CCC[C@@H](O4)C(=O)N5CCCC5 |
−3.1
± 0.4
|
| 4808 |
BEN-DND-d1eb1f41-7_1
|
|
C[N@@H+]1CCN(C(=O)[C@H]1c2cccc(c2)Cl)c3cncc4c3cccc4 |
−3.0
± 0.4
|
| 4809 |
PET-UNK-9b23ef84-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(c(c4)F)Cl)c5ncno5 |
−3.0
± 0.4
|
| 4810 |
ALP-POS-5bb456a5-1_15
|
|
C[C@@H]1C[N@](CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−3.05
± 0.09
|
| 4811 |
RAL-THA-8416115c-13_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5[nH]ncn5 |
−3.04
± 0.08
|
| 4812 |
EDJ-MED-670ad2ee-2_1
|
|
CO[C@]1(C[N@@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−3.0
± 0.6
|
| 4813 |
MAK-UNK-c749d764-18_1
|
|
CC(C)SCN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−3.0
± 0.2
|
| 4814 |
VLA-UCB-34f3ed0c-13_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCN3CC[NH2+]CC3)c4cccc(c4)Cl |
−3.0
± 0.7
|
| 4815 |
ALF-EVA-650655fc-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC[C@@H]3CCCOC3)c4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 |
−3.0
± 0.2
|
| 4816 |
EDG-MED-ba1ac7b9-23_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5C[N@@]6CC(F)F |
−3.00
± 0.09
|
| 4817 |
ALP-POS-a577c8a2-2_2
|
|
C[N@]1C[C@@H](c2cc(ccc2S1(=O)=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.0
± 0.3
|
| 4818 |
KAD-UNI-80f122c8-3_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6CS(=O)(=O)C[C@H]6C5 |
−2.98
± 0.09
|
| 4819 |
ALP-POS-477dc5b7-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CC5 |
−2.98
± 0.09
|
| 4820 |
MAT-POS-4223bc15-13_9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@@H]5CC[C@H]5O |
−3.0
± 0.2
|
| 4821 |
PET-UNK-9b23ef84-15_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(c(c4)F)Cl)c5ncon5 |
−3.0
± 0.3
|
| 4822 |
ALP-POS-a577c8a2-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CNS(=O)(=O)c4c3cc(cc4)Cl |
−3.0
± 0.2
|
| 4823 |
MAT-POS-b5746674-97_1
|
|
CCOC(=O)N1CCC(CC1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−3.0
± 0.4
|
| 4824 |
PET-UNK-9b23ef84-12_2
|
|
CO[C@]1(CN(Cc2c1cc(cc2)Cl)c3ncon3)C(=O)Nc4cncc5c4cccc5 |
−3.0
± 0.3
|
| 4825 |
MAT-POS-1f3f1a6f-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)[NH3+] |
−2.95
± 0.10
|
| 4826 |
MAK-UNK-c749d764-2_4
|
|
CC[C@H]1CCC[C@H]([C@@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−2.9
± 0.3
|
| 4827 |
MAT-POS-24589f88-11_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@H](O5)C(=O)N6CCCC6 |
−2.93
± 0.10
|
| 4828 |
MAT-POS-61f37a1a-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cnc(nc5)N6CCOCC6 |
−2.92
± 0.09
|
| 4829 |
MAK-UNK-c749d764-10_8
|
|
CSN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@H]3O)C(F)F |
−2.9
± 0.1
|
| 4830 |
EDJ-MED-139368ae-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cccc4)S(=O)(=O)N5CCC5 |
−2.9
± 0.4
|
| 4831 |
RAL-THA-e002e396-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)N |
−2.9
± 0.1
|
| 4832 |
EDJ-MED-ee07cf00-4_4
|
|
C[C@H](C(=O)N[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC4 |
−2.90
± 0.09
|
| 4833 |
EDJ-MED-841e0cf0-6_2
|
|
CN(C)S(=O)(=O)[N@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl |
−2.9
± 0.3
|
| 4834 |
ED_-GRI-5b13fbe2-74_3
|
|
C[N@@H+]1CCO[C@H](C1)c2nccc(n2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−2.9
± 0.7
|
| 4835 |
MAK-UNK-c749d764-8_7
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F |
−2.9
± 0.2
|
| 4836 |
DAR-DIA-9e4459de-13_12
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O |
−2.9
± 0.2
|
| 4837 |
ALP-POS-67d5babe-1_13
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC[N@@H+]5CC[C@H]6CS(=O)(=O)C[C@H]6C5 |
−2.9
± 0.4
|
| 4838 |
EDJ-MED-4c7486ba-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5cnc[nH]5 |
−2.9
± 0.7
|
| 4839 |
DAR-DIA-0d514e7d-34_1
|
|
C[C@@H]1[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.9
± 0.2
|
| 4840 |
PET-UNK-d61f3ea6-3_1
|
|
CC(C)(C#N)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−2.9
± 0.5
|
| 4841 |
ALF-EVA-07677224-4_7
|
|
C[C@@H]1[C@H](CCO1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−2.9
± 0.2
|
| 4842 |
BEN-DND-d6f8d3c6-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CNS(=O)(=O)c4c3cc(cc4)Cl |
−2.8
± 0.6
|
| 4843 |
EDG-MED-10fcb19e-5_1
|
|
CO[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)c5c[nH]nc5 |
−2.8
± 0.3
|
| 4844 |
ED_-GRI-5b13fbe2-60_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cc6c(n5)CC[C@@H](C6)[NH3+] |
−2.8
± 0.2
|
| 4845 |
EDJ-MED-ee07cf00-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)Cn4cnc(n4)C(F)(F)F |
−2.83
± 0.09
|
| 4846 |
EDJ-MED-139368ae-5_3
|
|
C[NH+]1CCN(CC1)S(=O)(=O)[N@@]2Cc3ccccc3[C@H](C2)C(=O)Nc4cncc5c4cccc5 |
−2.8
± 0.4
|
| 4847 |
NAU-LAT-2fed8305-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)C3(COC3)c4cccc(c4)Cl |
−2.8
± 0.2
|
| 4848 |
MAT-POS-e9e99895-1_1
|
|
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)[NH3+] |
−2.8
± 0.7
|
| 4849 |
MAT-POS-4223bc15-29_3
|
|
CNC(=O)NS(=O)(=O)[N@@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−2.8
± 0.1
|
| 4850 |
DAR-DIA-b4e9dd8d-2_1
|
|
COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CNc4c3cc(cc4)Cl |
−2.8
± 0.2
|
| 4851 |
JOH-UNI-21fd6073-1_1
|
|
c1ccc(cc1)S(=O)(=O)N(CC#N)C(=O)CN(c2cncc3c2cccc3)C(=O)[C@@H]4COc5c4cc(cc5)Cl |
−2.8
± 0.1
|
| 4852 |
MAK-UNK-c749d764-8_2
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−2.8
± 0.2
|
| 4853 |
MIC-UNK-37660950-4_2
|
|
CS(=O)(=O)[N@]1CC[C@@H](C1)CNc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−2.8
± 0.4
|
| 4854 |
KAD-UNI-cb0f2bbc-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccc(nc5)n6ccc(n6)C(=O)N |
−2.8
± 0.1
|
| 4855 |
PET-UNK-c65ea24c-7_2
|
|
CN(C)S(=O)(=O)[N@]1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3ccc(c4)C#N)OC)Cl |
−2.7
± 0.4
|
| 4856 |
MAT-POS-4223bc15-16_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@]5CCC[C@@H]5CO |
−2.7
± 0.5
|
| 4857 |
MIC-UNK-50cce87d-10_2
|
|
c1cc(cc(c1)Cl)[C@H]2CCCN(C2=O)c3cncc4c3c(ccc4)Cl |
−2.7
± 0.2
|
| 4858 |
PET-UNK-b566c0b0-8_1
|
|
CN(C)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cc(cc4)F)OC)Cl |
−2.7
± 0.3
|
| 4859 |
KAD-UNI-8a629cb0-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6C[C@H]5C[C@H]6O |
−2.7
± 0.5
|
| 4860 |
FRA-DIA-6238d354-2_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C |
−2.7
± 0.4
|
| 4861 |
EDG-MED-10fcb19e-3_1
|
|
CNS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC |
−2.7
± 0.3
|
| 4862 |
EDJ-MED-cf877e1d-1_2
|
|
CN(C)S(=O)(=O)[N@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)F |
−2.7
± 0.6
|
| 4863 |
ALF-EVA-07677224-8_2
|
|
Cn1cc(nc1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−2.7
± 0.5
|
| 4864 |
JOH-UNI-21fd6073-3_1
|
|
COC(=O)CN(c1cncc2c1cccc2)C(=O)[C@@H]3COc4c3cc(cc4)Cl |
−2.7
± 0.2
|
| 4865 |
EDJ-MED-670ad2ee-1_1
|
|
CO[C@]1(C[N@@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−2.7
± 0.5
|
| 4866 |
ALF-EVA-07677224-1_4
|
|
Cc1nc(ns1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−2.7
± 0.4
|
| 4867 |
EDJ-MED-670ad2ee-5_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC5 |
−2.7
± 0.4
|
| 4868 |
MIC-UNK-50cce87d-1_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)F |
−2.7
± 0.1
|
| 4869 |
EDJ-MED-d203f206-25_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)C#N |
−2.7
± 0.4
|
| 4870 |
ALF-EVA-07677224-4_14
|
|
C[C@H]1[C@@H](CCO1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−2.6
± 0.5
|
| 4871 |
EDJ-MED-ee07cf00-6_2
|
|
Cn1cc(cn1)C2=NO[C@H](C2)C(=O)N[C@@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−2.64
± 0.08
|
| 4872 |
PET-UNK-03fd2068-8_1
|
|
CO[C@]1(CCOc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3ccc(c4)F |
−2.6
± 0.4
|
| 4873 |
ALP-UNI-8e43a71e-5_9
|
|
C[C@@H]1C[N@@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−2.6
± 0.1
|
| 4874 |
ED_-GRI-5b13fbe2-28_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5c(c(nn5)C[NH3+])C(F)F |
−2.6
± 0.4
|
| 4875 |
KAD-UNI-80f122c8-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6CS(=O)(=O)C[C@@H]6C5 |
−2.60
± 0.10
|
| 4876 |
RAL-THA-05e671eb-27_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3c(c(cc4)Cl)Cl |
−2.6
± 0.3
|
| 4877 |
DAR-DIA-076fb6ea-5_1
|
|
c1ccc2c(c1)cncc2N(C#CC#N)C(=O)Cc3cccc(c3)Cl |
−2.6
± 0.3
|
| 4878 |
MAT-POS-45b13633-5_1
|
|
COC(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.6
± 0.2
|
| 4879 |
ED_-GRI-5b13fbe2-68_1
|
|
C[C@@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH3+] |
−2.6
± 0.7
|
| 4880 |
MAK-UNK-c749d764-25_1
|
|
COC(=O)N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−2.6
± 0.1
|
| 4881 |
ERI-UCB-8d4e5055-4_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−2.6
± 0.5
|
| 4882 |
MIC-UNK-37660950-1_1
|
|
CS(=O)(=O)c1cccc(c1)CNc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−2.5
± 0.5
|
| 4883 |
VLA-UNK-8e76d113-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(c(c4C#N)Cl)Cl |
−2.5
± 0.2
|
| 4884 |
EDG-MED-90036822-110_1
|
|
CC[N@](C)CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F |
−2.5
± 0.8
|
| 4885 |
EDJ-MED-cf4b0d25-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)COCC(=O)N4CCCC4 |
−2.51
± 0.08
|
| 4886 |
EDJ-MED-9e38fd34-3_1
|
|
C[C@@]1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.5
± 0.3
|
| 4887 |
DAR-DIA-0587064e-2_1
|
|
CCCOc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−2.5
± 0.1
|
| 4888 |
EDJ-MED-670ad2ee-11_1
|
|
C[C@]1(C[N@@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−2.4
± 0.5
|
| 4889 |
PET-UNK-1320d94d-17_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)NC(=O)[C@@H]4C[C@@H](O4)C(=O)N5CCCC5 |
−2.4
± 0.2
|
| 4890 |
PET-UNK-1320d94d-19_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)NC(=O)[C@@H]4CCC[C@@H](O4)C(=O)N5CCCC5 |
−2.4
± 0.4
|
| 4891 |
ALP-UNI-8e43a71e-2_15
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@H]5CCC[N@H+]6CCO |
−2.38
± 0.10
|
| 4892 |
EDJ-MED-ee07cf00-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)Cn4c(=O)c(=O)n5c(n4)CCC5 |
−2.37
± 0.09
|
| 4893 |
ALP-POS-67d5babe-1_16
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC[N@H+]5CC[C@H]6CS(=O)(=O)C[C@H]6C5 |
−2.4
± 0.5
|
| 4894 |
RUB-POS-1325a9ea-17_1
|
|
c1ccc2c(c1)c(cnc2F)NC(=O)Cc3cccc(c3)Cl |
−2.4
± 0.1
|
| 4895 |
MAT-POS-4223bc15-40_2
|
|
Cn1c(ccn1)C(=O)N2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−2.33
± 0.10
|
| 4896 |
KAD-UNI-877d7bed-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCCOC5CCS(=O)(=O)CC5)Cl |
−2.3
± 0.2
|
| 4897 |
EDG-MED-90036822-37_3
|
|
C[C@@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O |
−2.3
± 0.6
|
| 4898 |
KAD-UNI-8a629cb0-24_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CC6(C5)CS(=O)(=O)C6 |
−2.3
± 0.4
|
| 4899 |
EDJ-MED-827e7cb4-3_1
|
|
CNC(=O)CN1C[C@@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−2.3
± 0.4
|
| 4900 |
ALP-POS-67d5babe-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC[N@@H+]5CC[C@@H]6CS(=O)(=O)C[C@@H]6C5 |
−2.3
± 0.4
|