| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 3801 |
DAR-DIA-ecdbc7dd-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH+]5CCOCC5 |
−5.2
± 0.2
|
| 3802 |
MAT-POS-9ff17035-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@H]4CCC(=O)N4 |
−5.18
± 0.08
|
| 3803 |
ED_-GRI-5b13fbe2-69_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@@H]5[NH3+] |
−5.2
± 0.5
|
| 3804 |
ALP-UNI-8e43a71e-15_25
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H]6[C@H]5C[C@H](C6)C(=O)N |
−5.2
± 0.6
|
| 3805 |
EDJ-MED-d203f206-21_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)c6n[n-]nn6 |
−5.2
± 0.5
|
| 3806 |
EDJ-MED-827e7cb4-4_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3CNC(=O)c4c3cc(cc4F)F |
−5.2
± 0.2
|
| 3807 |
MAT-POS-61f37a1a-8_1
|
|
Cc1c(c(n(n1)C)N2CCOCC2)C[NH2+]C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.17
± 0.10
|
| 3808 |
MAT-POS-4223bc15-27_4
|
|
CC(C)(C[N@H+]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)O |
−5.2
± 0.4
|
| 3809 |
KAD-UNI-8a629cb0-17_2
|
|
C[N@@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−5.2
± 0.5
|
| 3810 |
MAT-POS-45b13633-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)[O-] |
−5.2
± 0.2
|
| 3811 |
EDJ-MED-0047eae5-1_1
|
|
CS(=O)(=O)N1C[C@@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.2
± 0.3
|
| 3812 |
EDG-MED-5d232de5-2_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−5.17
± 0.10
|
| 3813 |
EDG-MED-90036822-10_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH3+] |
−5.2
± 0.5
|
| 3814 |
EDJ-MED-0047eae5-2_2
|
|
CN(C)S(=O)(=O)N1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.2
± 0.3
|
| 3815 |
ALP-UNI-8e43a71e-6_2
|
|
CCN1CC[NH+](CC1)C2CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.2
± 0.2
|
| 3816 |
DAR-DIA-ecdbc7dd-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCNc4c3cc(cc4)Cl)C[NH+]5CCCC5 |
−5.2
± 0.2
|
| 3817 |
EDG-MED-10fcb19e-4_1
|
|
CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O |
−5.2
± 0.3
|
| 3818 |
MIC-UNK-16ccb665-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)SC(F)F |
−5.2
± 0.3
|
| 3819 |
ALP-POS-67d5babe-5_4
|
|
CN(C[C@H]1CCS(=O)(=O)C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.2
± 0.2
|
| 3820 |
EDG-MED-90036822-78_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@H](C5CC5)O)F |
−5.2
± 0.5
|
| 3821 |
EDJ-MED-d203f206-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nc([nH]n5)CO |
−5.2
± 0.4
|
| 3822 |
EDG-MED-90036822-82_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5[nH]cc[nH+]5 |
−5.2
± 0.4
|
| 3823 |
MAT-POS-d8472c4f-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)c3ccnc4c3cc(c(c4)Cl)Cl |
−5.2
± 0.4
|
| 3824 |
MIC-UNK-89b52b17-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]34c5cc(ccc5OC[C@@H]3CCO4)Cl |
−5.2
± 0.3
|
| 3825 |
MAK-UNK-c749d764-15_8
|
|
C[C@H](N(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@@H]3O)C(F)F)OCC4CCCCC4 |
−5.2
± 0.7
|
| 3826 |
EDG-MED-4c68219f-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5ccn[nH]5 |
−5.2
± 0.4
|
| 3827 |
RAL-THA-05e671eb-18_1
|
|
Cc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−5.2
± 0.4
|
| 3828 |
KAD-UNI-8a629cb0-1_2
|
|
CS(=O)(=O)[N@]1CC[C@H](C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.2
± 0.4
|
| 3829 |
ED_-GRI-5b13fbe2-10_2
|
|
C[C@](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(c5n[n-]nn5)[NH3+] |
−5.2
± 0.5
|
| 3830 |
DAR-DIA-9e4459de-13_4
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O |
−5.2
± 0.3
|
| 3831 |
EDJ-MED-fa7708b3-3_3
|
|
Cc1[nH]nc(n1)C[N@@H+]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−5.2
± 0.2
|
| 3832 |
PET-UNK-1320d94d-20_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)NC(=O)[C@@H]4CCC[C@@H](O4)C(=O)N5CCCC5 |
−5.2
± 0.2
|
| 3833 |
KAD-UNI-cb0f2bbc-20_4
|
|
Cn1cc(cn1)N2CC[C@H](C2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.2
± 0.1
|
| 3834 |
MIC-UNK-37660950-4_1
|
|
CS(=O)(=O)[N@@]1CC[C@@H](C1)CNc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−5.2
± 0.4
|
| 3835 |
EDG-MED-ba1ac7b9-25_5
|
|
C[C@@H]1CN(CC[N@@H+]1CCO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.15
± 0.08
|
| 3836 |
EDG-MED-90036822-18_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnc5 |
−5.2
± 0.6
|
| 3837 |
MIC-UNK-0a05c952-3_2
|
|
c1ccc2c(c1)cncc2N3[C@H](C[C@@H](C3=O)c4ccc(c(c4)Cl)Cl)[C@@H]5CO5 |
−5.1
± 0.2
|
| 3838 |
MIC-UNK-0a05c952-1_4
|
|
c1ccc2c(c1)cncc2N3[C@H](C[C@H](C3=O)c4cccc(c4)Cl)[C@@H]5CO5 |
−5.1
± 0.2
|
| 3839 |
EDJ-MED-923a35c2-5_4
|
|
CO[C@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−5.1
± 0.2
|
| 3840 |
ALP-POS-5bb456a5-1_13
|
|
C[C@@H]1C[N@@](CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−5.15
± 0.09
|
| 3841 |
MAT-POS-fce787c2-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](CO)c3ccc(c(c3)Cl)Cl |
−5.15
± 0.10
|
| 3842 |
EDG-MED-ba1ac7b9-27_1
|
|
C[C@@H]1C[N@@H+](CCN1C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO |
−5.15
± 0.07
|
| 3843 |
EDG-MED-90036822-108_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@@H](CC5CC5)O)F |
−5.1
± 0.5
|
| 3844 |
EDJ-MED-fa7708b3-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@H+](Cc4c3cc(cc4)Cl)Cc5[nH]ncn5 |
−5.1
± 0.2
|
| 3845 |
DAR-DIA-f6ee7aeb-1_4
|
|
c1ccc2c(c1)cncc2N3C[C@H](C[C@H](C3=O)c4cccc(c4)Cl)c5ccccc5C#N |
−5.1
± 0.2
|
| 3846 |
ALP-POS-a0a4abd7-8_2
|
|
Cn1cc(c(=O)[nH]c1=O)CCN(c2cncc3c2cccc3)C(=O)[C@H]4CCOc5c4ccc(c5)Cl |
−5.1
± 0.2
|
| 3847 |
PET-UNK-ac320b15-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@H]4CC[C@H](O4)C(=O)N5CCCC5 |
−5.1
± 0.2
|
| 3848 |
ALF-EVA-a24cc7ce-4_2
|
|
c1cc2cncc(c2cc1NC(=O)[C@H]3COc4c3cc(cc4)Cl)F |
−5.1
± 0.2
|
| 3849 |
ED_-GRI-5b13fbe2-66_3
|
|
C[N@@H+]1CCO[C@H](C1)c2ncc(cn2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.1
± 0.5
|
| 3850 |
EDG-MED-90036822-96_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@@H](CCF)[NH3+] |
−5.1
± 0.4
|
| 3851 |
MIC-UNK-37660950-2_1
|
|
CS(=O)(=O)c1ccc(cc1)CNc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−5.1
± 0.2
|
| 3852 |
MAT-POS-bbbbc21a-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3COc4c3cc(cc4)Cl |
−5.1
± 0.3
|
| 3853 |
MAT-POS-4223bc15-34_1
|
|
Cn1ccnc1N2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−5.1
± 0.2
|
| 3854 |
MIC-UNK-06e5f114-3_4
|
|
CS(=O)(=O)[N@]1CCC[C@H](C1)[NH2+]Cc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−5.1
± 0.2
|
| 3855 |
JOH-UNI-3fc3434e-11_1
|
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)CC(F)(F)F |
−5.1
± 0.4
|
| 3856 |
MAT-POS-b5746674-38_1
|
|
CC(C)OCCCN(Cc1ccco1)C(=O)Nc2cn(c(=O)c3c2cccc3)C |
−5.1
± 0.2
|
| 3857 |
ALP-POS-67d5babe-5_3
|
|
CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.1
± 0.2
|
| 3858 |
EDG-MED-90036822-94_4
|
|
C[C@H]1C[C@H]1[C@@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−5.1
± 0.5
|
| 3859 |
ED_-GRI-5b13fbe2-61_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)[C@@H]6CC[NH2+]C6 |
−5.1
± 0.5
|
| 3860 |
EDG-MED-90036822-53_2
|
|
CCn1cc(nc1)[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−5.1
± 0.5
|
| 3861 |
PET-UNK-b78139fa-14_1
|
|
CO[C@]1(CS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)F |
−5.1
± 0.6
|
| 3862 |
MAK-UNK-c749d764-18_8
|
|
CC(C)SCN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@H]3O)C(F)F |
−5.1
± 0.2
|
| 3863 |
MAT-POS-dc2604c4-2_2
|
|
COC1(CCC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−5.1
± 0.4
|
| 3864 |
RAL-THA-e002e396-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)N5CCOCC5 |
−5.1
± 0.2
|
| 3865 |
MAK-UNK-b7886382-2_1
|
|
c1ccc2c(c1)cncc2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CC[NH2+]CC5 |
−5.1
± 0.4
|
| 3866 |
MAT-POS-e9e99895-2_2
|
|
CC(C)[N@H+]1CCO[C@@H](C1)C(=O)N[C@@](C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.12
± 0.10
|
| 3867 |
RAL-THA-05e671eb-32_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(ccc4)Cl |
−5.1
± 0.4
|
| 3868 |
PET-UNK-9b23ef84-8_2
|
|
CO[C@]1(CN(Cc2c1cc(cc2)Cl)c3ncno3)C(=O)Nc4cncc5c4cccc5 |
−5.1
± 0.3
|
| 3869 |
ALP-POS-67d5babe-3_4
|
|
CS(=O)(=O)C[C@H]1CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.1
± 0.4
|
| 3870 |
KAD-UNI-8a629cb0-35_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC56CC(C6)O |
−5.1
± 0.4
|
| 3871 |
EDG-MED-90036822-58_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@@H](CF)[NH3+] |
−5.1
± 0.5
|
| 3872 |
EDJ-MED-15e90dfc-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNc5ccccn5 |
−5.1
± 0.1
|
| 3873 |
PET-UNK-49566573-1_1
|
|
CN(C)C(=O)CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.1
± 0.3
|
| 3874 |
KAD-UNI-8a629cb0-4_1
|
|
Cn1cc(cc1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N |
−5.1
± 0.7
|
| 3875 |
EDJ-MED-4c7486ba-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCC[N@@]5CC(F)(F)F |
−5.1
± 0.4
|
| 3876 |
MAT-POS-b5746674-42_1
|
|
CCc1ccccc1N(CC)C(=O)Nc2cn(c(=O)c3c2cccc3)C |
−5.1
± 0.2
|
| 3877 |
PET-UNK-9b23ef84-9_1
|
|
CO[C@]1(CN(Cc2c1cc(c(c2)F)Cl)c3ncno3)C(=O)Nc4cncc5c4cccc5 |
−5.1
± 0.3
|
| 3878 |
MAT-POS-a3f7f96a-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]34CC[C@@H](O3)c5c4ccc(c5)Cl |
−5.1
± 0.3
|
| 3879 |
EDJ-MED-d203f206-29_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCNC5=O |
−5.1
± 0.3
|
| 3880 |
DAR-DIA-ecdbc7dd-13_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH+]5CC5 |
−5.1
± 0.1
|
| 3881 |
ALP-POS-a577c8a2-2_1
|
|
C[N@@]1C[C@@H](c2cc(ccc2S1(=O)=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.1
± 0.3
|
| 3882 |
VLA-UNK-8e76d113-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(c(c4C#N)F)Cl |
−5.1
± 0.1
|
| 3883 |
ALP-UNI-8e43a71e-3_2
|
|
CC(=O)N1C[C@H]2C[C@@H]1CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.1
± 0.7
|
| 3884 |
PET-UNK-5d7c542f-2_1
|
|
CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)C#N |
−5.1
± 0.4
|
| 3885 |
PET-UNK-49566573-3_1
|
|
CN(C)C(=O)CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F |
−5.1
± 0.2
|
| 3886 |
PET-UNK-b78139fa-5_1
|
|
c1cc2c(cc1F)cncc2NC(=O)[C@@H]3CS(=O)(=O)c4c3cc(cc4)Cl |
−5.1
± 0.4
|
| 3887 |
RAL-THA-05e671eb-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)Cl)F |
−5.1
± 0.6
|
| 3888 |
ALP-POS-2da19ca7-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@H]6CCOC6 |
−5.09
± 0.09
|
| 3889 |
EDJ-MED-139368ae-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cccc4)S(=O)(=O)N5CC(C5)C#N |
−5.1
± 0.2
|
| 3890 |
ALF-EVA-07677224-7_2
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−5.1
± 0.3
|
| 3891 |
MIC-UNK-460e637d-3_1
|
|
C[N@@H+]1CCN(C[C@@H]1COc2cccnc2)C(=O)Cc3cncc4c3cccc4 |
−5.1
± 0.4
|
| 3892 |
MIC-UNK-6e9f8a43-1_2
|
|
CS[C@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−5.1
± 0.4
|
| 3893 |
ALP-POS-347519b5-3_41
|
|
CS(=O)(=O)[N@@]1C[C@@H]2[C@@H]3CC[C@H]([C@@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−5.1
± 0.1
|
| 3894 |
PET-UNK-4b4f2bb7-7_1
|
|
CO[C@]1(CCS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(c(c4)F)F |
−5.1
± 0.2
|
| 3895 |
ALP-POS-347519b5-3_11
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@@H]3CC[C@H]([C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−5.1
± 0.4
|
| 3896 |
PET-UNK-5d7c542f-3_1
|
|
CN(C)S(=O)(=O)CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.1
± 0.3
|
| 3897 |
ALP-POS-347519b5-3_39
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@H]3CC[C@@H]([C@@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−5.1
± 0.3
|
| 3898 |
MAT-POS-c7771779-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CC(=O)Nc4c3cc(cc4)Cl)O |
−5.08
± 0.10
|
| 3899 |
ERI-UCB-b3e6b0c2-17_2
|
|
C[N@]1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3ccc(c4)OCCOC |
−5.1
± 0.3
|
| 3900 |
EDJ-MED-827e7cb4-6_2
|
|
CC[C@]1(CNC(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−5.1
± 0.2
|