| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 801 |
DAR-DIA-9e4459de-11_3
|
|
c1cc2c(c(c1)NCOCCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O |
−8.2
± 0.3
|
| 802 |
JAG-UCB-706446eb-5_2
|
|
COCCN([C@H]1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.2
|
| 803 |
BEN-DND-c852c98b-5_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−8.18
± 0.09
|
| 804 |
VLA-UNK-cf7facf1-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O |
−8.18
± 0.10
|
| 805 |
MIC-UNK-5a93dd5f-10_2
|
|
CC(=O)N1CC[NH+](CC1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
| 806 |
MIC-UNK-cdc2493e-8_7
|
|
c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)[C@@H]4CC[C@H]5CCCC[C@H]5C4 |
−8.2
± 0.2
|
| 807 |
ALP-UNI-0676e700-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6c(cnn6c5)C#N |
−8.2
± 0.3
|
| 808 |
MAT-POS-61f37a1a-12_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)CC#N |
−8.17
± 0.10
|
| 809 |
PET-UNK-c9c1e0d8-4_2
|
|
c1ccc2c(c1)cncc2N3CC[C@H](C3=O)c4cccc(c4)Cl |
−8.17
± 0.09
|
| 810 |
ROB-UNI-611831f5-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4cc(c(=O)[nH]c4)N |
−8.2
± 0.1
|
| 811 |
MIC-UNK-5a93dd5f-3_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@@H+]4CC[C@H]5CCCC[C@@H]5C4 |
−8.2
± 0.3
|
| 812 |
MAK-UNK-c749d764-3_5
|
|
CC1(C[NH2+]C1)OCN(c2cncc3c2cccc3)C(=O)C[C@@H]4CCC[C@@H]([C@H]4O)C(F)F |
−8.2
± 0.3
|
| 813 |
EDJ-MED-ee07cf00-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)Cc4ccc(cc4)n5cnnn5 |
−8.17
± 0.09
|
| 814 |
MIC-UNK-cdc2493e-11_1
|
|
C[NH+](C)C1CCC(CC1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
| 815 |
DAR-DIA-b4e9dd8d-6_2
|
|
COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3COc4c3cc(cc4)Cl |
−8.2
± 0.2
|
| 816 |
ALP-UNI-3496895b-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)[N@]6[C@H]5CCCC6 |
−8.2
± 0.4
|
| 817 |
KAD-UNI-cb0f2bbc-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccc(cc5)N6CC(=O)NC(=O)C6 |
−8.2
± 0.1
|
| 818 |
ALP-POS-347519b5-1_13
|
|
CS(=O)(=O)[N@@]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.3
|
| 819 |
BEN-BAS-c2bc0d80-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)CN3 |
−8.2
± 0.5
|
| 820 |
ALP-POS-fe871b40-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(c(c4)F)Cl |
−8.2
± 0.2
|
| 821 |
DAR-DIA-f6ee7aeb-5_2
|
|
CCCOc1cc(cc(c1)Cl)[C@H]2CC(=O)N(C[C@@H]2c3c[nH]c(=O)[nH]c3=O)c4cncc5c4cccc5 |
−8.2
± 0.2
|
| 822 |
MAT-POS-de59a476-2_2
|
|
CO[C@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−8.16
± 0.10
|
| 823 |
MIC-UNK-08fa0751-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C(CO)(F)F |
−8.2
± 0.3
|
| 824 |
MAT-POS-4223bc15-2_3
|
|
CN(C)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−8.15
± 0.08
|
| 825 |
DAR-DIA-6a508060-2_2
|
|
c1ccc2c(c1)cncc2OC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−8.15
± 0.10
|
| 826 |
MAK-UNK-c749d764-19_7
|
|
c1ccc2c(c1)cncc2N(C[NH3+])C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F |
−8.2
± 0.5
|
| 827 |
EDJ-MED-6d9ff7d0-4_1
|
|
COCCC[NH2+][C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.2
|
| 828 |
EDG-MED-90036822-94_2
|
|
C[C@H]1C[C@@H]1[C@@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−8.1
± 0.4
|
| 829 |
RAL-THA-4aa06b95-7_4
|
|
COCCN1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.15
± 0.09
|
| 830 |
ALP-POS-477dc5b7-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−8.1
± 0.4
|
| 831 |
KAD-UNI-cb0f2bbc-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccc(cc5)N6CCNC(=O)C6 |
−8.1
± 0.1
|
| 832 |
PET-UNK-29afea89-1_1
|
|
C#C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.3
|
| 833 |
LON-WEI-5e7d1b3e-34_2
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CC[C@H](C3)c4ccccc4 |
−8.1
± 0.3
|
| 834 |
EDJ-MED-15e90dfc-7_2
|
|
CS(=O)(=O)CCNC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.4
|
| 835 |
ALP-POS-347519b5-3_21
|
|
CS(=O)(=O)[N@@]1C[C@@H]2[C@H]3CC[C@@H]([C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−8.1
± 0.2
|
| 836 |
MAT-POS-4223bc15-26_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)CC(F)(F)F |
−8.1
± 0.2
|
| 837 |
DAR-DIA-9e4459de-13_6
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−8.1
± 0.2
|
| 838 |
VLA-UCB-05e51b3f-10_1
|
|
C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−8.14
± 0.09
|
| 839 |
ADA-UCB-dc2b944c-12_1
|
|
Cc1c2ccccc2c(cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−8.1
± 0.3
|
| 840 |
DAR-DIA-23e5a6a0-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5CCC6([NH2+]5)CCC6)Cl |
−8.1
± 0.2
|
| 841 |
MAT-POS-4223bc15-11_9
|
|
C[C@@H]1CC[N@@](C1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−8.13
± 0.07
|
| 842 |
DAR-DIA-0587064e-17_1
|
|
COCCOc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−8.1
± 0.2
|
| 843 |
MAT-POS-4223bc15-8_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CCOC5 |
−8.13
± 0.08
|
| 844 |
DAR-DIA-5ff57136-12_1
|
|
c1ccc2c(c1)cncc2N(C#C[C@@H]3CCC[NH2+]3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−8.1
± 0.2
|
| 845 |
MAK-UNK-ffc90da7-5_1
|
|
C[C@@](CO)(c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl)[NH2+]C4CC4 |
−8.1
± 0.4
|
| 846 |
VLA-UCB-34f3ed0c-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCc5ccn[nH]5 |
−8.1
± 0.2
|
| 847 |
ALP-POS-e4f7337d-1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)[NH2+]C[C@@H]5CC[C@H](O5)C(=O)N6CCCC6 |
−8.1
± 0.2
|
| 848 |
ED_-GRI-5b13fbe2-57_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5ccn[nH]5 |
−8.1
± 0.3
|
| 849 |
MIC-UNK-5a93dd5f-7_6
|
|
CC(=O)N(C)[C@H]1CC[N@@H+](C1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.2
|
| 850 |
ED_-GRI-5b13fbe2-42_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](CF)[NH3+] |
−8.1
± 0.6
|
| 851 |
KAD-UNI-8a629cb0-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5Cc6[nH+]ccn6C5 |
−8.1
± 0.4
|
| 852 |
MAT-POS-53907a1c-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCC3CCCCC3)c4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 |
−8.12
± 0.10
|
| 853 |
LON-WEI-5e7d1b3e-7_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCCC[N@@H+]3CCc4ccccc4C3 |
−8.1
± 0.3
|
| 854 |
LAU-MED-88a3970a-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4CCCO)Cl |
−8.1
± 0.2
|
| 855 |
MAK-UNK-c749d764-24_1
|
|
CCN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−8.1
± 0.3
|
| 856 |
RAL-THA-4aa06b95-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCN(c4c3cc(cc4)Cl)C(=O)N |
−8.11
± 0.10
|
| 857 |
FRA-DIA-b66f7109-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(cc4Cl)O[C@@H]5CC(=O)N5 |
−8.1
± 0.4
|
| 858 |
MIC-UNK-cdc2493e-24_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCn3cncn3)c4cccc(c4)Cl |
−8.1
± 0.4
|
| 859 |
KAD-UNI-8a629cb0-22_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cc6c([nH]c(=O)[nH]6)nc5 |
−8.1
± 0.4
|
| 860 |
MAK-UNK-c749d764-4_2
|
|
CS[C@H]1CCC[C@@H]([C@@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−8.1
± 0.5
|
| 861 |
DAR-DIA-2964957d-1_1
|
|
c1ccc2c(c1)cncc2Nc3c(c(=O)c3=O)Nc4cccc(c4)Cl |
−8.1
± 0.6
|
| 862 |
MIC-UNK-ea4eb352-4_2
|
|
CO[C@]1(CCSc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.2
|
| 863 |
ERI-UCB-d6de1f3c-6_1
|
|
c1ccc2c(c1)cncc2C(=O)N3C[C@@H](N(C(=O)C3)c4cccc(c4)Cl)C[NH+]5CCCCC5 |
−8.1
± 0.3
|
| 864 |
DAR-DIA-ecdbc7dd-15_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCNc4c3cc(cc4)Cl)C[NH3+] |
−8.1
± 0.3
|
| 865 |
ALP-UNI-76695c4f-8_2
|
|
C[N@@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−8.1
± 0.4
|
| 866 |
KAD-UNI-b13decd3-7_1
|
|
CC(=O)OCCn1cc(cn1)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.2
|
| 867 |
MAK-UNK-c749d764-2_1
|
|
CC[C@@H]1CCC[C@@H]([C@@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−8.1
± 0.5
|
| 868 |
MAT-POS-e6dd326d-6_2
|
|
COC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.10
± 0.10
|
| 869 |
LON-WEI-4d77710c-34_2
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CC[C@H](C3)c4ccccc4 |
−8.1
± 0.2
|
| 870 |
KAD-UNI-8a629cb0-39_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)COC6 |
−8.1
± 0.4
|
| 871 |
LON-WEI-9739a092-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)N4CCN(CC4)C(=O)c5ccco5 |
−8.10
± 0.09
|
| 872 |
ALP-POS-2da19ca7-7_7
|
|
C[C@@H]1C[N@](CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−8.1
± 0.5
|
| 873 |
ED_-GRI-5b13fbe2-45_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](Cc5cn(nn5)CC6CC6)[NH3+] |
−8.1
± 0.3
|
| 874 |
MAK-UNK-c749d764-24_5
|
|
CCN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F |
−8.1
± 0.4
|
| 875 |
MAT-POS-173a45da-1_1
|
|
c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)c4cccc(c4)Cl |
−8.08
± 0.09
|
| 876 |
PET-UNK-d61f3ea6-2_2
|
|
CC(C)(C)S(=O)(=O)[N@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−8.1
± 0.3
|
| 877 |
MAK-UNK-c749d764-18_5
|
|
CC(C)SCN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F |
−8.1
± 0.4
|
| 878 |
LON-WEI-5e7d1b3e-43_1
|
|
Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C |
−8.1
± 0.3
|
| 879 |
DAR-DIA-0d514e7d-32_10
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3[C@@H]4C[C@@H]4CO[C@H]5[C@@H]3C=C(C=C5)Cl |
−8.1
± 0.2
|
| 880 |
EDG-MED-ba1ac7b9-14_8
|
|
C[N@]1CCN(C[C@H]1C#N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.4
|
| 881 |
ALF-EVA-07677224-4_11
|
|
C[C@@H]1[C@H](CCO1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−8.1
± 0.3
|
| 882 |
ADA-UCB-dc2b944c-10_1
|
|
Cc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−8.1
± 0.2
|
| 883 |
RAL-THA-8416115c-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCN(c4c3cc(cc4)Cl)Cc5ccn[nH]5 |
−8.08
± 0.10
|
| 884 |
ALP-UNI-0676e700-19_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCS(=O)(=O)CC5)C#N |
−8.1
± 0.3
|
| 885 |
LON-WEI-5e7d1b3e-4_1
|
|
Cc1ccc(c(c1)Br)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C |
−8.1
± 0.2
|
| 886 |
BEN-BAS-5c03e89e-2_1
|
|
CC(C)([C@@H]1C=Nc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)O |
−8.1
± 0.3
|
| 887 |
EDJ-MED-40433386-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)C#N |
−8.1
± 0.4
|
| 888 |
PET-UNK-acd70dee-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nccs5 |
−8.1
± 0.2
|
| 889 |
ALP-UNI-3496895b-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@H]5CCC[N@@H+]6CCO |
−8.1
± 0.4
|
| 890 |
RAL-THA-2d450e86-30_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cnc3)Cl |
−8.06
± 0.10
|
| 891 |
JOH-UNI-ee5ed7c8-9_1
|
|
CN(c1c2ccccc2cnc1C#N)C(=O)Cc3cccc(c3)Cl |
−8.1
± 0.5
|
| 892 |
MAT-POS-8d5af1ef-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CC(=O)Nc4c3cc(cc4)Br |
−8.06
± 0.09
|
| 893 |
ALF-EVA-07677224-1_2
|
|
Cc1nc(ns1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−8.0
± 0.2
|
| 894 |
EDG-MED-ba1ac7b9-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)C5CC5 |
−8.0
± 0.5
|
| 895 |
EDJ-MED-00143744-1_1
|
|
Cn1c(nnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.0
± 0.2
|
| 896 |
LON-WEI-4d77710c-1_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC |
−8.0
± 0.1
|
| 897 |
ALP-UNI-8e43a71e-4_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCN(C5=O)c6ccn[nH]6 |
−8.04
± 0.06
|
| 898 |
MIC-UNK-9582b2c5-1_4
|
|
CC(=O)N1CC[C@H]2[C@H](C1)CN(C(=O)[C@@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−8.0
± 0.6
|
| 899 |
MAK-UNK-8be7dca9-9_2
|
|
c1cc2c(cc1C(=O)[O-])cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−8.0
± 0.3
|
| 900 |
EDG-MED-ba1ac7b9-21_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5Cn6ccnc6 |
−8.04
± 0.09
|