| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 101 |
MAT-POS-983b399a-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.63
± 0.10
|
| 102 |
MAT-POS-50a80394-6_2
|
|
CC(C)[C@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.6
± 0.2
|
| 103 |
EDJ-MED-b6c6ee2b-6_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−9.6
± 0.1
|
| 104 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl |
−9.6
± 0.2
|
| 105 |
ALP-POS-ecbed2ba-16_4
|
|
C[N@](CCC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.6
± 0.7
|
| 106 |
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 |
−9.6
± 0.9
|
| 107 |
PET-UNK-aa57768f-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−9.53
± 0.10
|
| 108 |
MAT-POS-853c0ffa-11_1
|
|
CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−9.5
± 0.4
|
| 109 |
VLA-UNK-3a43cd95-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl |
−9.53
± 0.06
|
| 110 |
EDJ-MED-fed7ac0b-1_1
|
|
CNC(=O)CN1C[C@]2(CNN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.5
± 0.2
|
| 111 |
MAT-POS-1d5ab790-3_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl |
−9.5
± 0.1
|
| 112 |
PET-UNK-94036022-6_2
|
|
C=C1C(=O)[C@]2(C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−9.5
± 0.6
|
| 113 |
LUO-POS-868e8996-7_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.5
± 0.1
|
| 114 |
PET-UNK-7e9559de-4_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−9.5
± 0.2
|
| 115 |
EDJ-MED-468565e0-2_1
|
|
c1cc2cncc(c2cc1OCC[NH+]3CCOCC3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−9.4
± 0.7
|
| 116 |
VLA-UNK-f702bf1c-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@@H]6CCC(=O)NC6 |
−9.4
± 0.2
|
| 117 |
ALP-POS-ecbed2ba-16_1
|
|
C[N@@](CCC#N)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.4
± 0.4
|
| 118 |
PET-UNK-aa57768f-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−9.40
± 0.10
|
| 119 |
ALP-POS-ecbed2ba-6_1
|
|
COC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.4
± 0.3
|
| 120 |
VLA-UNK-f702bf1c-8_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6[nH]ncn6 |
−9.4
± 0.2
|
| 121 |
LUO-POS-868e8996-8_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.4
± 0.1
|
| 122 |
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 |
−9.4
± 0.4
|
| 123 |
LUO-POS-8484f2d3-2_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.4
± 0.5
|
| 124 |
MAT-POS-1bed62cf-2_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.36
± 0.10
|
| 125 |
EDJ-MED-b6c6ee2b-3_2
|
|
COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.3
± 0.6
|
| 126 |
MAT-POS-853c0ffa-15_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.3
± 0.5
|
| 127 |
VLA-UNK-f702bf1c-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@@H]6CC(=O)NC6 |
−9.3
± 0.2
|
| 128 |
ALP-POS-477dc5b7-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.31
± 0.10
|
| 129 |
VLA-UNK-f702bf1c-4_2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CC(=O)NC6 |
−9.3
± 0.2
|
| 130 |
MAT-POS-40ad851a-5_1
|
|
c1cc2cncc(c2cc1OCCC[NH+]3CCCC3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−9.3
± 0.7
|
| 131 |
MAT-POS-853c0ffa-8_2
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−9.3
± 0.4
|
| 132 |
DAR-DIA-6be260fc-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCNc5c4cc(cc5)Cl |
−9.3
± 0.1
|
| 133 |
ALP-POS-ecbed2ba-16_3
|
|
C[N@@](CCC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.3
± 0.7
|
| 134 |
MAT-POS-c2d406ed-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O |
−9.2
± 0.2
|
| 135 |
MAT-POS-40ad851a-1_7
|
|
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 |
−9.2
± 1.0
|
| 136 |
MAT-POS-38eb6498-2_2
|
|
CNC(=O)c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.2
± 0.6
|
| 137 |
ALP-POS-ecbed2ba-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
−9.2
± 0.5
|
| 138 |
EDJ-MED-fd8ed875-3_1
|
|
CNC(=O)CN1C[C@]2(C=CN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.2
± 0.1
|
| 139 |
BRU-THA-73c97d88-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)C=N3 |
−9.12
± 0.07
|
| 140 |
PET-UNK-94036022-13_2
|
|
C=C1C(=O)[C@]2(C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−9.1
± 0.6
|
| 141 |
EDJ-MED-a12e3a20-1_1
|
|
c1ccc2c(c1)cncc2N3CC(=O)[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.1
± 0.6
|
| 142 |
EDJ-MED-dfa1d800-5_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl |
−9.1
± 0.3
|
| 143 |
BEN-BAS-c2bc0d80-6_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.07
± 0.04
|
| 144 |
VLA-UCB-50c39ae8-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.07
± 0.04
|
| 145 |
VLA-UCB-05e51b3f-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.07
± 0.04
|
| 146 |
MAT-POS-94643566-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.07
± 0.04
|
| 147 |
MAT-POS-38eb6498-2_1
|
|
CNC(=O)c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.1
± 0.4
|
| 148 |
ALP-POS-ecbed2ba-1_2
|
|
CC1(CS(=O)(=O)C1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.0
± 0.5
|
| 149 |
VLA-UNK-56836b69-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O |
−9.0
± 0.1
|
| 150 |
VLA-UNK-f702bf1c-5_2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CCC(=O)NC6 |
−8.9
± 0.2
|
| 151 |
EDJ-MED-98c0a822-4_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.9
± 0.1
|
| 152 |
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 |
−8.9
± 0.7
|
| 153 |
EDJ-MED-98c0a822-1_2
|
|
CNC(=O)C1(CCC1)[N@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−8.9
± 0.5
|
| 154 |
ALP-POS-ecbed2ba-17_2
|
|
C[N@](CC#N)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.9
± 0.3
|
| 155 |
EDJ-MED-ee81482e-2_2
|
|
C[NH+]1CC(C1)Oc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.9
± 0.5
|
| 156 |
MAT-POS-853c0ffa-9_2
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.9
± 0.8
|
| 157 |
EDJ-MED-98c0a822-2_1
|
|
CNC(=O)C1(COC1)[N@@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−8.9
± 0.3
|
| 158 |
MAT-POS-be048f2c-6_1
|
|
CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.8
± 0.2
|
| 159 |
BEN-BAS-c2bc0d80-7_1
|
|
CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 |
−8.81
± 0.08
|
| 160 |
MAT-POS-69786b79-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−8.8
± 0.3
|
| 161 |
MAT-POS-ec6d90b7-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O |
−8.77
± 0.05
|
| 162 |
MAT-POS-40ad851a-2_3
|
|
CC[N@@H+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.8
± 0.9
|
| 163 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.8
± 0.2
|
| 164 |
EDJ-MED-ee81482e-3_1
|
|
C[NH+](C)C[C@@H](COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−8.7
± 0.7
|
| 165 |
VLA-UNK-f702bf1c-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6[nH]ncn6 |
−8.7
± 0.2
|
| 166 |
EDJ-MED-b6c6ee2b-1_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl |
−8.7
± 0.4
|
| 167 |
EDJ-MED-468565e0-2_2
|
|
c1cc2cncc(c2cc1OCC[NH+]3CCOCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.7
± 0.8
|
| 168 |
ALP-POS-ecbed2ba-21_1
|
|
C[N@@](CCOC)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.7
± 0.3
|
| 169 |
EDJ-MED-5cd3920d-6_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−8.7
± 0.6
|
| 170 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−8.7
± 0.3
|
| 171 |
ALP-POS-ecbed2ba-21_4
|
|
C[N@](CCOC)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.7
± 0.6
|
| 172 |
ALP-POS-ecbed2ba-19_4
|
|
C[N@](CCO)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.7
± 0.8
|
| 173 |
ALP-POS-afe0272e-1_1
|
|
CNC(=O)C[N@@H+]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl |
−8.7
± 0.3
|
| 174 |
EDJ-MED-ede5c6cb-2_1
|
|
c1cc2c(cc1NS(=O)(=O)C3CC3)cncc2N4CC[C@@]5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl |
−8.7
± 0.2
|
| 175 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.6
± 0.2
|
| 176 |
MAT-POS-853c0ffa-13_1
|
|
c1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.6
± 0.4
|
| 177 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.6
± 0.2
|
| 178 |
LUO-POS-d1147590-1_2
|
|
C[NH+]1CCC(CC1)Oc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.6
± 0.7
|
| 179 |
ALP-POS-ecbed2ba-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCS(=O)(=O)CC6)C#N |
−8.6
± 0.5
|
| 180 |
MAT-POS-96396902-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−8.6
± 0.2
|
| 181 |
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 |
−8.6
± 0.4
|
| 182 |
LUO-POS-b5068a05-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N |
−8.6
± 0.3
|
| 183 |
MAT-POS-853c0ffa-15_2
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.6
± 0.5
|
| 184 |
EDJ-MED-5cd3920d-1_1
|
|
c1cc2cncc(c2cc1OC(F)F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.6
± 0.4
|
| 185 |
EDJ-MED-94fddcec-7_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.6
± 0.2
|
| 186 |
MAT-POS-50a80394-5_4
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.6
± 0.2
|
| 187 |
ALP-POS-ecbed2ba-18_4
|
|
CC[N@](C)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.6
± 0.5
|
| 188 |
EDJ-MED-ee81482e-3_2
|
|
C[NH+](C)C[C@H](COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−8.6
± 0.6
|
| 189 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.6
± 0.3
|
| 190 |
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 |
−8.5
± 0.3
|
| 191 |
EDJ-MED-468565e0-3_2
|
|
c1cc2cncc(c2cc1OCCN3CCS(=O)(=O)CC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.5
± 0.7
|
| 192 |
MAT-POS-40ad851a-5_2
|
|
c1cc2cncc(c2cc1OCCC[NH+]3CCCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.5
± 0.9
|
| 193 |
MAT-POS-90505e2b-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O |
−8.53
± 0.05
|
| 194 |
MAT-POS-50a80394-1_4
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−8.5
± 0.4
|
| 195 |
PET-UNK-94036022-10_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−8.5
± 0.3
|
| 196 |
EDJ-MED-d4864bdc-4_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.5
± 0.3
|
| 197 |
ALP-POS-ecbed2ba-17_4
|
|
C[N@](CC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.5
± 0.7
|
| 198 |
ALP-POS-4483ae88-2_2
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−8.5
± 0.2
|
| 199 |
EDJ-MED-ee81482e-1_1
|
|
c1cc2cncc(c2cc1OC3C[NH2+]C3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.5
± 0.6
|
| 200 |
VLA-UNK-56836b69-3_1
|
|
CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 |
−8.47
± 0.10
|