| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 801 |
EDJ-MED-d4864bdc-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.6
± 0.3
|
| 802 |
EDJ-MED-d4864bdc-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.6
± 0.3
|
| 803 |
VLA-UNK-f2612802-2_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl |
−6.6
± 0.5
|
| 804 |
VLA-UNK-f2612802-2_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl |
−6.6
± 0.5
|
| 805 |
JOH-MSK-1f2dff76-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CNCc5c4cc(cc5)Cl |
−6.6
± 0.4
|
| 806 |
EDJ-MED-468565e0-5_1
|
|
c1cc2c[nH+]cc(c2cc1OCCN3CC(C3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.6
± 1.0
|
| 807 |
EDJ-MED-468565e0-5_1
|
|
c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.6
± 1.0
|
| 808 |
EDJ-MED-468565e0-5_1
|
|
c1cc2cncc(c2cc1OCC[NH+]3CC(C3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.6
± 1.0
|
| 809 |
MAT-POS-576f7758-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.6
± 0.3
|
| 810 |
MAT-POS-576f7758-1_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.6
± 0.3
|
| 811 |
MAT-POS-576f7758-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−6.6
± 0.3
|
| 812 |
VLA-UCB-05e51b3f-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.6
± 0.1
|
| 813 |
MIK-ENA-0547b12c-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−6.5
± 0.9
|
| 814 |
MIK-ENA-0547b12c-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−6.5
± 0.9
|
| 815 |
DAR-DIA-6be260fc-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCNc5c4cc(cc5)Cl |
−6.5
± 0.3
|
| 816 |
DAR-DIA-6be260fc-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCNc5c4cc(cc5)Cl |
−6.5
± 0.3
|
| 817 |
EDJ-MED-98c0a822-2_1
|
|
CNC(=O)C1(COC1)[N@@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−6.4
± 0.5
|
| 818 |
EDJ-MED-98c0a822-2_1
|
|
CNC(=O)C1(COC1)[N@@]2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−6.4
± 0.5
|
| 819 |
VLA-UNK-5d8210f0-5_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3([C@H]1C(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.4
± 0.4
|
| 820 |
VLA-UNK-5d8210f0-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3([C@H]1C(F)F)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−6.4
± 0.4
|
| 821 |
EDJ-MED-59d5ca70-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 |
−6.4
± 0.4
|
| 822 |
EDJ-MED-59d5ca70-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 |
−6.4
± 0.4
|
| 823 |
EDJ-MED-59d5ca70-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 |
−6.4
± 0.4
|
| 824 |
EDJ-MED-accc2c4d-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CCC#N |
−6.4
± 0.8
|
| 825 |
EDJ-MED-accc2c4d-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CCC#N |
−6.4
± 0.8
|
| 826 |
MAT-POS-853c0ffa-6_1
|
|
c1cc2c(cc1Cl)[C@@]3(CCN(C3=O)c4cncc5c4c(cc(c5)F)Cl)C[N@](C2)S(=O)(=O)CC6(CC6)C#N |
−6.4
± 0.1
|
| 827 |
LUO-POS-e1dab717-19_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)O |
−6.4
± 0.3
|
| 828 |
LUO-POS-e1dab717-19_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CC(=O)O |
−6.4
± 0.3
|
| 829 |
EDJ-MED-4138fde9-2_1
|
|
c1cc2c[nH+]cc(c2cc1OCCNCC(F)(F)F)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.3
± 1.0
|
| 830 |
EDJ-MED-4138fde9-2_1
|
|
c1cc2cncc(c2cc1OCCNCC(F)(F)F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.3
± 1.0
|
| 831 |
MAT-POS-50a80394-4_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.3
± 0.4
|
| 832 |
MAT-POS-50a80394-4_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.3
± 0.4
|
| 833 |
MAT-POS-50a80394-4_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−6.3
± 0.4
|
| 834 |
VLA-UNK-5d8210f0-4_2
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3([C@@H]1C(F)(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.2
± 0.6
|
| 835 |
VLA-UNK-5d8210f0-4_2
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3([C@@H]1C(F)(F)F)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−6.2
± 0.6
|
| 836 |
EDJ-MED-159244ea-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.2
± 0.3
|
| 837 |
EDJ-MED-159244ea-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.2
± 0.3
|
| 838 |
LUO-POS-868e8996-10_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.2
± 0.1
|
| 839 |
MAT-POS-50a80394-3_2
|
|
CC(C)[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−6.2
± 0.9
|
| 840 |
MAT-POS-50a80394-3_2
|
|
CC(C)[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−6.2
± 0.9
|
| 841 |
ALP-POS-ecbed2ba-20_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 |
−6
± 1
|
| 842 |
ALP-POS-ecbed2ba-20_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 |
−6
± 1
|
| 843 |
EDJ-MED-accc2c4d-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC#N |
−6.2
± 0.7
|
| 844 |
EDJ-MED-accc2c4d-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC#N |
−6.2
± 0.7
|
| 845 |
EDJ-MED-ede5c6cb-2_1
|
|
c1cc2c(cc1NS(=O)(=O)C3CC3)cncc2N4CC[C@@]5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl |
−6.2
± 0.4
|
| 846 |
EDJ-MED-ede5c6cb-2_1
|
|
c1cc2c(cc1NS(=O)(=O)C3CC3)c[nH+]cc2N4CC[C@@]5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl |
−6.2
± 0.4
|
| 847 |
EDJ-MED-7587a9ee-3_1
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.2
± 0.8
|
| 848 |
EDJ-MED-7587a9ee-3_1
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−6.2
± 0.8
|
| 849 |
ALP-POS-ecbed2ba-6_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.2
± 0.7
|
| 850 |
ALP-POS-ecbed2ba-6_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−6.2
± 0.7
|
| 851 |
ALP-POS-c3a90b22-6_1
|
|
CNC(=O)CC[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.1
± 0.4
|
| 852 |
ALP-POS-c3a90b22-6_1
|
|
CNC(=O)CC[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.1
± 0.4
|
| 853 |
ALP-POS-c3a90b22-6_1
|
|
CNC(=O)CC[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−6.1
± 0.4
|
| 854 |
LUO-POS-e1dab717-9_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−6.1
± 0.7
|
| 855 |
LUO-POS-e1dab717-9_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−6.1
± 0.7
|
| 856 |
LUO-POS-868e8996-7_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−6.0
± 0.1
|
| 857 |
ALP-POS-ecbed2ba-19_1
|
|
C[N@@](CCO)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−6
± 1
|
| 858 |
ALP-POS-ecbed2ba-19_1
|
|
C[N@](CCO)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6
± 1
|
| 859 |
MAT-POS-853c0ffa-14_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl |
−5.8
± 0.9
|
| 860 |
MAT-POS-853c0ffa-14_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cc(cc6)F)Cl |
−5.8
± 0.9
|
| 861 |
EDJ-MED-dfa1d800-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+]6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl |
−5.8
± 0.5
|
| 862 |
EDJ-MED-dfa1d800-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl |
−5.8
± 0.5
|
| 863 |
EDJ-MED-dfa1d800-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl |
−5.8
± 0.5
|
| 864 |
EDJ-MED-dfa1d800-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+]6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl |
−5.8
± 0.5
|
| 865 |
PET-UNK-94036022-9_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−5.8
± 0.8
|
| 866 |
PET-UNK-94036022-9_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−5.8
± 0.8
|
| 867 |
JOH-MSK-1f2dff76-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CNCc5c4cc(cc5)Cl |
−5.7
± 0.4
|
| 868 |
MIK-ENA-edcfce18-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−5.7
± 0.6
|
| 869 |
MIK-ENA-edcfce18-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−5.7
± 0.6
|
| 870 |
EDJ-MED-5cd3920d-2_1
|
|
c1cc2cncc(c2cc1C(F)F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−5.7
± 0.8
|
| 871 |
EDJ-MED-5cd3920d-2_1
|
|
c1cc2c[nH+]cc(c2cc1C(F)F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−5.7
± 0.8
|
| 872 |
MIK-ENA-2c0ad173-1_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−5.6
± 0.7
|
| 873 |
MIK-ENA-2c0ad173-1_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−5.6
± 0.7
|
| 874 |
MAT-POS-40ad851a-1_3
|
|
C[N@@H+]1CCC[C@@H]1COc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−5.6
± 0.9
|
| 875 |
MAT-POS-40ad851a-1_3
|
|
C[N@@H+]1CCC[C@@H]1COc2ccc3c[nH+]cc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−5.6
± 0.9
|
| 876 |
EDJ-MED-468565e0-1_1
|
|
c1cc2cncc(c2cc1OCC[NH+]3CCCC3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−5.5
± 0.8
|
| 877 |
EDJ-MED-468565e0-1_1
|
|
c1cc2cncc(c2cc1OCCN3CCCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−5.5
± 0.8
|
| 878 |
EDJ-MED-468565e0-1_1
|
|
c1cc2c[nH+]cc(c2cc1OCC[NH+]3CCCC3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−5.5
± 0.8
|
| 879 |
PET-UNK-94036022-10_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−5.4
± 0.8
|
| 880 |
PET-UNK-94036022-10_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−5.4
± 0.8
|
| 881 |
ALP-POS-ecbed2ba-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 |
−5.3
± 0.9
|
| 882 |
ALP-POS-ecbed2ba-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 |
−5.3
± 0.9
|
| 883 |
PET-UNK-94036022-12_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−5.3
± 0.9
|
| 884 |
EDJ-MED-4138fde9-3_1
|
|
CNCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
−5.3
± 0.6
|
| 885 |
EDJ-MED-4138fde9-3_1
|
|
CNCCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
−5.3
± 0.6
|
| 886 |
EDJ-MED-4138fde9-3_1
|
|
CNCCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
−5.3
± 0.6
|
| 887 |
EDJ-MED-4138fde9-3_1
|
|
CNCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
−5.3
± 0.6
|
| 888 |
MAT-POS-50a80394-3_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−5.2
± 0.9
|
| 889 |
MAT-POS-50a80394-3_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−5.2
± 0.9
|
| 890 |
EDJ-MED-40e596c8-1_1
|
|
CNS(=O)(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.1
± 0.8
|
| 891 |
EDJ-MED-40e596c8-1_1
|
|
CNS(=O)(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−5.1
± 0.8
|
| 892 |
EDJ-MED-40e596c8-1_1
|
|
CNS(=O)(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.1
± 0.8
|
| 893 |
EDJ-MED-f9b78f78-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−5.1
± 0.4
|
| 894 |
EDJ-MED-f9b78f78-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−5.1
± 0.4
|
| 895 |
MAT-POS-853c0ffa-21_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl |
−5.1
± 0.8
|
| 896 |
MAT-POS-853c0ffa-21_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cc(cc6)F)Cl |
−5.1
± 0.8
|
| 897 |
ALP-POS-ecbed2ba-18_1
|
|
CC[N@@](C)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.0
± 0.9
|
| 898 |
ALP-POS-ecbed2ba-18_1
|
|
CC[N@@](C)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−5.0
± 0.9
|
| 899 |
VLA-UNK-5d8210f0-5_2
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3([C@@H]1C(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.0
± 0.7
|
| 900 |
VLA-UNK-5d8210f0-5_2
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3([C@@H]1C(F)F)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−5.0
± 0.7
|