| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 901 |
PET-UNK-14142a25-10_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.9
± 0.5
|
| 902 |
PET-UNK-14142a25-10_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.9
± 0.5
|
| 903 |
LUO-POS-e1dab717-18_1
|
|
CC1(C[C@]2(C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4c[nH+]cc5c4cccc5)C |
−0.7
± 0.9
|
| 904 |
LUO-POS-e1dab717-18_1
|
|
CC1(C[C@]2(C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4cncc5c4cccc5)C |
−0.7
± 0.9
|
| 905 |
LUO-POS-e1dab717-18_1
|
|
CC1(C[C@]2(C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4cncc5c4cccc5)C |
−0.7
± 0.9
|
| 906 |
LUO-POS-e1dab717-18_1
|
|
CC1(C[C@]2(C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4c[nH+]cc5c4cccc5)C |
−0.7
± 0.9
|
| 907 |
LUO-POS-9931618f-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.6
± 0.5
|
| 908 |
LUO-POS-9931618f-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.6
± 0.5
|
| 909 |
VLA-UNK-8e615992-5_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−0.6
± 0.5
|
| 910 |
VLA-UNK-8e615992-5_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−0.6
± 0.5
|
| 911 |
ALP-POS-c3a90b22-10_1
|
|
CNC(=O)C1(CCOCC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−0.6
± 0.9
|
| 912 |
ALP-POS-c3a90b22-10_1
|
|
CNC(=O)C1(CCOCC1)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−0.6
± 0.9
|
| 913 |
ALP-POS-c3a90b22-10_1
|
|
CNC(=O)C1(CCOCC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−0.6
± 0.9
|
| 914 |
VLA-UNK-f2612802-1_1
|
|
CNC(=O)C[N@@]1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl)C(F)(F)F |
−0.5
± 0.9
|
| 915 |
VLA-UNK-f2612802-1_1
|
|
CNC(=O)C[N@@]1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl)C(F)(F)F |
−0.5
± 0.9
|
| 916 |
MAT-POS-40ad851a-2_2
|
|
CC[N@H+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−0.5
± 0.8
|
| 917 |
MAT-POS-40ad851a-2_2
|
|
CC[N@H+](C)CCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−0.5
± 0.8
|
| 918 |
PET-UNK-aa57768f-9_1
|
|
C#CCN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.5
± 0.5
|
| 919 |
PET-UNK-aa57768f-9_1
|
|
C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.5
± 0.5
|
| 920 |
PET-UNK-6af7266d-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−0.4
± 0.5
|
| 921 |
PET-UNK-6af7266d-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−0.4
± 0.5
|
| 922 |
ALP-POS-c3a90b22-11_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−0.4
± 0.3
|
| 923 |
ALP-POS-c3a90b22-11_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−0.4
± 0.3
|
| 924 |
EDJ-MED-33064c06-14_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−0.4
± 0.6
|
| 925 |
EDJ-MED-33064c06-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−0.4
± 0.6
|
| 926 |
EDJ-MED-0d144977-3_1
|
|
Cn1c(cc[nH+]1)CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−0.2
± 0.6
|
| 927 |
EDJ-MED-0d144977-3_1
|
|
Cn1c(cc[nH+]1)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−0.2
± 0.6
|
| 928 |
VLA-UNK-61877630-5_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
−0.1
± 0.7
|
| 929 |
VLA-UNK-61877630-5_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
−0.1
± 0.7
|
| 930 |
EDJ-MED-33064c06-12_1
|
|
CC(C)(CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)O |
−0.1
± 0.7
|
| 931 |
EDJ-MED-33064c06-12_1
|
|
CC(C)(CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)O |
−0.1
± 0.7
|
| 932 |
EDJ-MED-33064c06-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
0.1
± 0.6
|
| 933 |
EDJ-MED-33064c06-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
0.1
± 0.6
|
| 934 |
EDJ-MED-33064c06-3_1
|
|
CNC1(CC1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
0.1
± 0.8
|
| 935 |
EDJ-MED-33064c06-3_1
|
|
CNC1(CC1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
0.1
± 0.8
|
| 936 |
EDJ-MED-40e596c8-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
0.2
± 0.4
|
| 937 |
EDJ-MED-40e596c8-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
0.2
± 0.4
|
| 938 |
MAT-POS-40ad851a-1_2
|
|
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 |
0.2
± 0.6
|
| 939 |
MAT-POS-40ad851a-1_2
|
|
C[N@]1CCC[C@@H]1COc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
0.2
± 0.6
|
| 940 |
MAT-POS-40ad851a-1_2
|
|
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 |
0.2
± 0.6
|
| 941 |
ALP-POS-ecbed2ba-13_1
|
|
CC(C)(CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl)C#N |
0.3
± 1.0
|
| 942 |
ALP-POS-ecbed2ba-13_1
|
|
CC(C)(CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
0.3
± 1.0
|
| 943 |
MAT-POS-ddfe83c6-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(cc4)OC)c5cc(ccc5C1=O)Cl |
0.5
± 0.7
|
| 944 |
MAT-POS-ddfe83c6-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OC)c5cc(ccc5C1=O)Cl |
0.5
± 0.7
|
| 945 |
DAR-DIA-6be260fc-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCNc5c4cc(cc5)Cl |
0.5
± 0.6
|
| 946 |
DAR-DIA-6be260fc-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCNc5c4cc(cc5)Cl |
0.5
± 0.6
|
| 947 |
MAT-POS-40ad851a-2_1
|
|
CC[N@@H+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
0.6
± 0.7
|
| 948 |
MAT-POS-40ad851a-2_1
|
|
CC[N@@](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
0.6
± 0.7
|
| 949 |
MAT-POS-40ad851a-2_1
|
|
CC[N@@H+](C)CCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
0.6
± 0.7
|
| 950 |
EDJ-MED-cc48ee33-2_1
|
|
Cn1c(cc[nH+]1)C(=O)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
0.6
± 0.5
|
| 951 |
EDJ-MED-cc48ee33-2_1
|
|
Cn1c(cc[nH+]1)C(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
0.6
± 0.5
|
| 952 |
VLA-UNK-8e615992-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
0.6
± 0.6
|
| 953 |
VLA-UNK-8e615992-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
0.6
± 0.6
|
| 954 |
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 |
0.6
± 0.8
|
| 955 |
EDJ-MED-468565e0-1_1
|
|
c1cc2cncc(c2cc1OCCN3CCCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
0.6
± 0.8
|
| 956 |
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 |
0.6
± 0.8
|
| 957 |
EDJ-MED-468565e0-4_1
|
|
c1cc2cncc(c2cc1OCCN3CCC(CC3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
0.6
± 0.8
|
| 958 |
EDJ-MED-468565e0-4_1
|
|
c1cc2c[nH+]cc(c2cc1OCC[NH+]3CCC(CC3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
0.6
± 0.8
|
| 959 |
EDJ-MED-468565e0-4_1
|
|
c1cc2cncc(c2cc1OCC[NH+]3CCC(CC3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
0.6
± 0.8
|
| 960 |
EDJ-MED-468565e0-4_1
|
|
c1cc2c[nH+]cc(c2cc1OCCN3CCC(CC3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
0.6
± 0.8
|
| 961 |
MIK-ENA-37e0b697-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
0.8
± 0.7
|
| 962 |
MIK-ENA-37e0b697-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
0.8
± 0.7
|
| 963 |
VLA-UNK-e334495f-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
0.9
± 0.9
|
| 964 |
VLA-UNK-e334495f-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
0.9
± 0.9
|
| 965 |
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 |
1.1
± 0.9
|
| 966 |
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 |
1.1
± 0.9
|
| 967 |
ALP-POS-ecbed2ba-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
1
± 1
|
| 968 |
ALP-POS-ecbed2ba-8_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
1
± 1
|
| 969 |
MAT-POS-40ad851a-3_1
|
|
CC[NH+](CC)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
1.2
± 0.5
|
| 970 |
MAT-POS-40ad851a-3_1
|
|
CCN(CC)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
1.2
± 0.5
|
| 971 |
MAT-POS-40ad851a-3_1
|
|
CC[NH+](CC)CCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
1.2
± 0.5
|
| 972 |
MAT-POS-50a80394-2_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
1.3
± 0.7
|
| 973 |
MAT-POS-50a80394-2_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
1.3
± 0.7
|
| 974 |
MIC-UNK-257d841f-1_2
|
|
c1ccc2c(c1)c[nH+]cc2N3C[C@H]([C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)C7CC7 |
1.4
± 0.7
|
| 975 |
MIC-UNK-257d841f-1_2
|
|
c1ccc2c(c1)cncc2N3C[C@H]([C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)C7CC7 |
1.4
± 0.7
|
| 976 |
EDJ-MED-4138fde9-5_1
|
|
CNCCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
1.4
± 0.7
|
| 977 |
EDJ-MED-4138fde9-5_1
|
|
CNCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
1.4
± 0.7
|
| 978 |
EDJ-MED-d4864bdc-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
1.4
± 0.6
|
| 979 |
EDJ-MED-d4864bdc-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
1.4
± 0.6
|
| 980 |
EDJ-MED-cc48ee33-4_1
|
|
Cc1c[nH+]n(c1C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl)C |
1.6
± 0.6
|
| 981 |
EDJ-MED-cc48ee33-4_1
|
|
Cc1c[nH+]n(c1C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C |
1.6
± 0.6
|
| 982 |
LUO-POS-e1dab717-6_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OC)c6cc(ccc6C2=O)Cl |
1.7
± 0.8
|
| 983 |
LUO-POS-e1dab717-6_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OC)c6cc(ccc6C2=O)Cl |
1.7
± 0.8
|
| 984 |
EDJ-MED-4138fde9-3_2
|
|
CNCCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
1.8
± 0.9
|
| 985 |
EDJ-MED-4138fde9-3_2
|
|
CNCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
1.8
± 0.9
|
| 986 |
ALP-POS-afe0272e-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
1.8
± 0.7
|
| 987 |
ALP-POS-afe0272e-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
1.8
± 0.7
|
| 988 |
MAT-POS-983b399a-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
1.8
± 0.8
|
| 989 |
MAT-POS-983b399a-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
1.8
± 0.8
|
| 990 |
EDJ-MED-ee81482e-1_1
|
|
c1cc2c[nH+]cc(c2cc1OC3CNC3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
2
± 1
|
| 991 |
EDJ-MED-ee81482e-1_1
|
|
c1cc2cncc(c2cc1OC3CNC3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
2
± 1
|
| 992 |
MAT-POS-b4d6b7fc-7_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4ccc(c5)NS(=O)(=O)C)Cl |
1.8
± 0.4
|
| 993 |
MAT-POS-b4d6b7fc-7_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl |
1.8
± 0.4
|
| 994 |
MAT-POS-853c0ffa-12_1
|
|
CC(C)(c1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O |
1.8
± 0.8
|
| 995 |
MAT-POS-853c0ffa-12_1
|
|
CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O |
1.8
± 0.8
|
| 996 |
ALP-POS-ecbed2ba-3_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
1.8
± 1.0
|
| 997 |
ALP-POS-ecbed2ba-3_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
1.8
± 1.0
|
| 998 |
EDJ-MED-94fddcec-7_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
2.0
± 0.7
|
| 999 |
EDJ-MED-94fddcec-7_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
2.0
± 0.7
|
| 1000 |
LUO-POS-ed2cfb03-2_1
|
|
CNS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
2.0
± 0.8
|