| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 4801 |
EN300-761746_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5c(=O)[nH]c(=O)[nH]n5 |
−8.7
± 0.2
|
| 4802 |
MAT-POS-9db1e783-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO |
−8.7
± 0.1
|
| 4803 |
EN300-202922_1_2_1 |
|
C[C@H]([C@@](C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−8.7
± 0.3
|
| 4804 |
RAL-THA-1d44ff04-6_1
|
|
COC(=O)NCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−8.7
± 0.4
|
| 4805 |
KAD-UNI-8a629cb0-40_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(c(=O)[nH]c5=O)Cl |
−8.7
± 0.3
|
| 4806 |
EN300-30768_1_4_1 |
|
C[C@H]1C[C@H]1C(=O)NCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.3
|
| 4807 |
EN300-153257_2_1_1 |
|
CC(C)[C@@H](CO)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.7
± 0.3
|
| 4808 |
EN300-365791_1_1_1 |
|
C[C@H](C1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.7
± 0.3
|
| 4809 |
EN300-134204_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCc5n[n-]nn5 |
−8.7
± 0.3
|
| 4810 |
EN300-7435581_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5[C@H]6COC[C@H]6ON5 |
−8.7
± 0.3
|
| 4811 |
PET-UNK-c9c1e0d8-3_1
|
|
c1ccc2c(c1)cncc2N3CCC[C@@H](C3=O)c4cccc(c4)Cl |
−8.67
± 0.09
|
| 4812 |
EDJ-MED-9e38fd34-6_1
|
|
C[C@@]1(c2cc(c(cc2NC1=O)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.7
± 0.3
|
| 4813 |
EN300-259847_1_2_1 |
|
CO[C@H]1CCCCN(C1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.3
|
| 4814 |
EN300-1911992_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]([C@@H]5CCOC5)O |
−8.7
± 0.3
|
| 4815 |
EDG-MED-ba1ac7b9-33_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@H]6CCOC6 |
−8.7
± 0.4
|
| 4816 |
EN300-2803713_1_1_1 |
|
CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[N@@]5NS5(=O)=O |
−8.7
± 0.4
|
| 4817 |
EN300-199481_2_1_1 |
|
CC1(CNC(=O)CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−8.7
± 0.3
|
| 4818 |
DAR-DIA-56cf811e-5_1
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)/C=C/C(F)(F)F |
−8.7
± 0.4
|
| 4819 |
EN300-223491_3_1_1 |
|
Cn1cnn(c1=O)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.3
|
| 4820 |
MAK-UNK-c749d764-2_8
|
|
CC[C@H]1CCC[C@H]([C@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−8.7
± 0.4
|
| 4821 |
EN300-305294_1_8_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@H]([C@H]6C5)O |
−8.7
± 0.3
|
| 4822 |
RAL-THA-8416115c-1_3
|
|
c1ccc(cc1)CN2CC[C@H](c3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.3
|
| 4823 |
EN300-198633_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCCNC5=O |
−8.7
± 0.3
|
| 4824 |
EN300-1726150_1_1_1 |
|
Cn1cc(cn1)n2cc(nc2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.7
± 0.2
|
| 4825 |
EN300-6498351_2_1_1 |
|
Cc1c(n(cn1)C)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.3
|
| 4826 |
EDG-MED-90036822-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)/C=C/C[N@@H+]5CC[C@@H]5C(=O)N |
−8.7
± 0.3
|
| 4827 |
EN300-246333_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6[C@H](C5)C(=O)NC6=O |
−8.7
± 0.3
|
| 4828 |
EN300-81629_2_1_1 |
|
Cc1nncn1CCNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.2
|
| 4829 |
EN300-31186_1_1_1 |
|
CCC(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.7
± 0.3
|
| 4830 |
MIC-UNK-644c43c7-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CNCC(F)(F)F |
−8.7
± 0.4
|
| 4831 |
MAT-POS-e9e99895-2_3
|
|
CC(C)[N@@H+]1CCO[C@H](C1)C(=O)N[C@@](C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.7
± 0.6
|
| 4832 |
EDG-MED-90036822-86_1
|
|
CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.7
± 0.2
|
| 4833 |
EN300-60831_1_1_1 |
|
CS(=O)(=O)C1(CCCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.4
|
| 4834 |
EN300-1609922_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(c6ccn[nH]6)O |
−8.7
± 0.4
|
| 4835 |
EN300-3451857_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCC(=O)NC5=O |
−8.7
± 0.3
|
| 4836 |
MAT-POS-11b63608-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Br |
−8.66
± 0.05
|
| 4837 |
EN300-79180_3_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5CCOCC5)O |
−8.7
± 0.4
|
| 4838 |
EN300-309457_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C[NH+](C5)[C@H]6CCOC6 |
−8.7
± 0.4
|
| 4839 |
EN300-22880_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC[C@H](C5)C(=O)N |
−8.7
± 0.4
|
| 4840 |
ALP-UNI-dbbfd3db-12_1
|
|
Cc1c(c(=O)ccn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)[O-] |
−8.7
± 0.3
|
| 4841 |
EN300-366299_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5CC(C5)O |
−8.7
± 0.3
|
| 4842 |
EDG-MED-5d232de5-3_1
|
|
CC(=O)N1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.7
± 0.2
|
| 4843 |
EN300-7456499_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)CCCO |
−8.7
± 0.5
|
| 4844 |
EN300-137734_1_2_1 |
|
C[C@H]1CN(CCS1(=O)=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.3
|
| 4845 |
EN300-304187_1_4_1 |
|
C[C@]1(C[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC)CO |
−8.7
± 0.4
|
| 4846 |
MAT-POS-e9e99895-5_2
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)c4cc5n(n4)CCO5 |
−8.7
± 0.3
|
| 4847 |
JOH-UNI-3fc3434e-9_1
|
|
CN(c1c2ccccc2cnc1C#N)C(=O)Cc3cccc(c3)Cl |
−8.7
± 0.4
|
| 4848 |
EN300-70487_1_1_1 |
|
Cc1[nH]nc(n1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.3
|
| 4849 |
EN300-244909_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)CO |
−8.7
± 0.3
|
| 4850 |
EDG-MED-4c68219f-7_1
|
|
C[NH+](C)CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.7
± 0.3
|
| 4851 |
EN300-246178_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn(c5)C[C@H](CO)O |
−8.7
± 0.3
|
| 4852 |
EN300-226889_1_1_1 |
|
Cn1cc([nH]c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.2
|
| 4853 |
EN300-97300_2_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5C[C@H]5F |
−8.7
± 0.2
|
| 4854 |
EN300-36851_1_1_1 |
|
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.7
± 0.3
|
| 4855 |
EN300-316193_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6COC(=O)[C@H]6C5 |
−8.7
± 0.2
|
| 4856 |
MIC-UNK-cdc2493e-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC[C@@H]3CCCO3)c4cccc(c4)Cl |
−8.7
± 0.4
|
| 4857 |
EN300-247497_1_1_1 |
|
CO[C@H]1C[C@H](N(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N |
−8.7
± 0.3
|
| 4858 |
EN300-264301_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CCC(=O)N5 |
−8.7
± 0.3
|
| 4859 |
EN300-1589101_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5c[nH]nc5 |
−8.6
± 0.2
|
| 4860 |
EN300-78753_1_1_1 |
|
CC1(COC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.2
|
| 4861 |
EN300-04491_1_1_1 |
|
COCCN(CCOC)C(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.4
|
| 4862 |
EN300-254883_4_1_1 |
|
Cc1c(non1)CC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
| 4863 |
EN300-2977549_4_1_1 |
|
CNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.3
|
| 4864 |
EN300-2977549_4_1_1 |
|
CNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.3
|
| 4865 |
EN300-2977549_4_1_1 |
|
CNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.3
|
| 4866 |
EN300-306774_1_2_1 |
|
C[C@]1(C(=O)NC(=O)N1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.2
|
| 4867 |
EN300-67023_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS(=O)(=O)C[C@@H]5CCCO5 |
−8.6
± 0.4
|
| 4868 |
MAT-POS-c74bc7b3-1_1
|
|
C[C@]1(CCNc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.3
|
| 4869 |
EN300-304135_2_2_1 |
|
CC[C@]1(CCNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.4
|
| 4870 |
EN300-226314_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@@H]5CCS(=O)(=O)C5 |
−8.6
± 0.3
|
| 4871 |
DAR-DIA-0d514e7d-3_1
|
|
CC1(COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)C |
−8.6
± 0.2
|
| 4872 |
ADA-UCB-dc2b944c-2_1
|
|
COc1ccc(cc1N(CCC2CCCCC2)C(=O)Nc3cncc4c3cccc4)Cl |
−8.6
± 0.5
|
| 4873 |
ALP-POS-5bb456a5-1_10
|
|
C[C@H]1C[N@@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−8.6
± 0.5
|
| 4874 |
ED_-GRI-5b13fbe2-36_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[C@H](c5cn(nn5)CC6CC6)[NH3+] |
−8.6
± 0.3
|
| 4875 |
EN300-139130_1_1_1 |
|
C[C@@H](C[C@@H]1COCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.6
± 0.4
|
| 4876 |
JOH-UNI-a38a7bdd-5_1
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)[C@@H]4C[C@@H]4F |
−8.6
± 0.3
|
| 4877 |
MIC-UNK-cdc2493e-12_2
|
|
C[NH+](C)[C@H]1CC[C@@H](C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.4
|
| 4878 |
EN300-221122_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(c6cn[nH]n6)O |
−8.6
± 0.4
|
| 4879 |
MIC-UNK-5a93dd5f-9_1
|
|
CN(C)[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.4
|
| 4880 |
DAR-DIA-0cde14eb-48_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C4(CC4)F |
−8.6
± 0.3
|
| 4881 |
MAT-POS-e9e99895-2_6
|
|
CC(C)[N@H+]1CCO[C@@H](C1)C(=O)N[C@](C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.8
|
| 4882 |
ALP-POS-5bb456a5-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@@H]6CCOC6 |
−8.6
± 0.3
|
| 4883 |
EN300-118647_1_1_1 |
|
CN(C)C(=O)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.2
|
| 4884 |
EN300-7499295_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CCCO)CO |
−8.6
± 0.3
|
| 4885 |
EN300-141645_1_1_1 |
|
CN(CCCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.3
|
| 4886 |
EN300-6744028_2_6_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5C[C@H]6C[C@@H]5[C@@H]([C@H]6O)O |
−8.6
± 0.3
|
| 4887 |
EN300-138676_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N(CC(=O)N)CC(F)(F)F |
−8.6
± 0.2
|
| 4888 |
EDG-MED-90036822-70_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@](C5)(C[NH3+])F |
−8.6
± 0.4
|
| 4889 |
DAR-DIA-0d514e7d-32_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@H]4C[C@H]4CO[C@@H]5[C@@H]3C=C(C=C5)Cl |
−8.6
± 0.4
|
| 4890 |
EN300-50639_1_2_1 |
|
C[C@H](C(=O)N(C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cccn5 |
−8.6
± 0.4
|
| 4891 |
EN300-222969_2_1_1 |
|
CN1C[C@@H](OC1=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
| 4892 |
EN300-82539_1_2_1 |
|
CCOC(=O)C[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.6
± 0.4
|
| 4893 |
EN300-6494158_2_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5C[C@H](CO5)CO |
−8.6
± 0.3
|
| 4894 |
EN300-39458_2_1_1 |
|
Cc1c(c(n(n1)CCO)C)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
| 4895 |
ALP-UNI-0676e700-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cc5)CC(=O)N |
−8.6
± 0.3
|
| 4896 |
BEN-DND-f2e727cd-3_1
|
|
C[N@@]1CCN(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.4
|
| 4897 |
DAR-DIA-0d514e7d-20_1
|
|
C[C@H]1COc2c(cc(cc2N3CCOCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.2
|
| 4898 |
ED_-GRI-5b13fbe2-50_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@]5(C#N)C(=O)[O-] |
−8.6
± 0.3
|
| 4899 |
EN300-343562_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H]([C@H]5CO)CO |
−8.6
± 0.4
|
| 4900 |
EN300-211482_1_2_1 |
|
C[C@H](C(=O)NC)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.2
|