| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 101 |
EDJ-MED-59d5ca70-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 |
−10.4
± 0.2
|
| 102 |
EDJ-MED-59d5ca70-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 |
−10.4
± 0.2
|
| 103 |
EDJ-MED-33064c06-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−10.4
± 0.3
|
| 104 |
EDJ-MED-33064c06-15_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−10.4
± 0.3
|
| 105 |
LUO-POS-b4dec3be-1_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−10.4
± 0.2
|
| 106 |
PET-UNK-94036022-7_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−10.4
± 0.5
|
| 107 |
PET-UNK-94036022-7_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−10.4
± 0.5
|
| 108 |
PET-UNK-37c7074c-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 |
−10.3
± 0.1
|
| 109 |
PET-UNK-37c7074c-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 |
−10.3
± 0.1
|
| 110 |
LUO-POS-e1dab717-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)Cl)c6cc(ccc6C2=O)Cl |
−10.3
± 0.3
|
| 111 |
EDJ-MED-5cd3920d-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl |
−10.2
± 0.4
|
| 112 |
EDJ-MED-5cd3920d-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl |
−10.2
± 0.4
|
| 113 |
EDJ-MED-6b23330e-5_1
|
|
CC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−10.2
± 0.4
|
| 114 |
EDJ-MED-6b23330e-5_1
|
|
CC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−10.2
± 0.4
|
| 115 |
EDJ-MED-6b23330e-5_1
|
|
CC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−10.2
± 0.4
|
| 116 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl |
−10.23
± 0.09
|
| 117 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl |
−10.23
± 0.09
|
| 118 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OC)Cl |
−10.23
± 0.09
|
| 119 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OC)Cl |
−10.23
± 0.09
|
| 120 |
EDJ-MED-7d88f880-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3ccc(c4)[S@](=N)(=O)C)c5cc(ccc5C1=O)Cl |
−10.2
± 0.4
|
| 121 |
EDJ-MED-7d88f880-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3ccc(c4)[S@](=N)(=O)C)c5cc(ccc5C1=O)Cl |
−10.2
± 0.4
|
| 122 |
MAT-POS-be048f2c-5_1
|
|
CCn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−10.2
± 0.3
|
| 123 |
MAT-POS-be048f2c-5_1
|
|
CCn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−10.2
± 0.3
|
| 124 |
EDJ-MED-9f4ac58c-5_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl |
−10.2
± 0.8
|
| 125 |
MAT-POS-e48723dc-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−10.2
± 0.3
|
| 126 |
MAT-POS-e48723dc-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−10.2
± 0.3
|
| 127 |
PET-UNK-37c7074c-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 |
−10.2
± 0.1
|
| 128 |
PET-UNK-37c7074c-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 |
−10.2
± 0.1
|
| 129 |
EDJ-MED-4cb9dd84-2_1
|
|
c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−10.2
± 0.2
|
| 130 |
LUO-POS-8c3e556a-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−10.1
± 0.3
|
| 131 |
PET-UNK-c6bcc80b-12_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl |
−10.1
± 0.6
|
| 132 |
PET-UNK-c6bcc80b-12_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl |
−10.1
± 0.6
|
| 133 |
PET-UNK-c6bcc80b-12_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(c(c5)NS(=O)(=O)C)F)Cl |
−10.1
± 0.6
|
| 134 |
PET-UNK-c6bcc80b-12_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(c(c5)NS(=O)(=O)C)F)Cl |
−10.1
± 0.6
|
| 135 |
EDJ-MED-a12e3a20-2_1
|
|
CNC(=O)CN1C[C@@]2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 |
−10.1
± 0.3
|
| 136 |
PET-UNK-7e9559de-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−10.1
± 0.6
|
| 137 |
EDJ-MED-4cb9dd84-3_1
|
|
c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−10.1
± 0.4
|
| 138 |
EDJ-MED-4cb9dd84-3_1
|
|
c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−10.1
± 0.4
|
| 139 |
PET-UNK-7e9559de-4_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−10.1
± 0.5
|
| 140 |
EDJ-MED-6b23330e-1_1
|
|
CC(C)CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−10.1
± 0.5
|
| 141 |
EDJ-MED-6b23330e-1_1
|
|
CC(C)CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−10.1
± 0.5
|
| 142 |
EDJ-MED-6b23330e-1_1
|
|
CC(C)CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−10.1
± 0.5
|
| 143 |
EDJ-MED-7d88f880-3_1
|
|
C[S@@](=N)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−10.0
± 0.4
|
| 144 |
EDJ-MED-7d88f880-3_1
|
|
C[S@@](=N)(=O)c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−10.0
± 0.4
|
| 145 |
EDJ-MED-33064c06-9_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−10.0
± 0.2
|
| 146 |
EDJ-MED-33064c06-9_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−10.0
± 0.2
|
| 147 |
EDJ-MED-6b23330e-2_2
|
|
CC(C)(C)CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−10.0
± 0.3
|
| 148 |
EDJ-MED-b6c6ee2b-7_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl |
−10.0
± 0.3
|
| 149 |
EDJ-MED-b6c6ee2b-7_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl |
−10.0
± 0.3
|
| 150 |
EDJ-MED-40e596c8-1_2
|
|
CNS(=O)(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−10.0
± 0.4
|
| 151 |
EDJ-MED-40e596c8-1_2
|
|
CNS(=O)(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−10.0
± 0.4
|
| 152 |
PET-UNK-37c7074c-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 |
−10.0
± 0.2
|
| 153 |
PET-UNK-37c7074c-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 |
−10.0
± 0.2
|
| 154 |
PET-UNK-37c7074c-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 |
−10.0
± 0.2
|
| 155 |
PET-UNK-37c7074c-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 |
−10.0
± 0.2
|
| 156 |
VLA-UNK-5d8210f0-1_2
|
|
CNC(=O)C[N@H+]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5 |
−10.0
± 0.3
|
| 157 |
ALP-POS-c3a90b22-7_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N |
−9.9
± 0.3
|
| 158 |
ALP-POS-c3a90b22-7_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N |
−9.9
± 0.3
|
| 159 |
MAT-POS-ddfe83c6-6_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)Cl)Cl |
−9.92
± 0.08
|
| 160 |
MAT-POS-ddfe83c6-6_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)Cl)Cl |
−9.92
± 0.08
|
| 161 |
ALP-POS-c3a90b22-4_1
|
|
CNC(=O)C1(COC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.9
± 0.3
|
| 162 |
ALP-POS-c3a90b22-4_1
|
|
CNC(=O)C1(COC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.9
± 0.3
|
| 163 |
ALP-POS-c3a90b22-4_1
|
|
CNC(=O)C1(COC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.9
± 0.3
|
| 164 |
VLA-UNK-61877630-9_2
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@@H]4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl |
−9.9
± 0.4
|
| 165 |
VLA-UNK-61877630-9_2
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@@H]4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl |
−9.9
± 0.4
|
| 166 |
EDJ-MED-cc48ee33-5_1
|
|
Cc1cc(n([nH+]1)C)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.9
± 0.4
|
| 167 |
EDJ-MED-cc48ee33-5_1
|
|
Cc1cc(n([nH+]1)C)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.9
± 0.4
|
| 168 |
MAT-POS-e75f6e44-7_2
|
|
C[NH+](C)C1(CC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.9
± 0.5
|
| 169 |
EDJ-MED-33064c06-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−9.9
± 0.3
|
| 170 |
EDJ-MED-33064c06-8_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−9.9
± 0.3
|
| 171 |
EDJ-MED-33064c06-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.9
± 0.2
|
| 172 |
EDJ-MED-33064c06-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.9
± 0.2
|
| 173 |
MAT-POS-e75f6e44-8_4
|
|
C[C@H](C1CC1)NC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.9
± 0.3
|
| 174 |
EDJ-MED-5cd3920d-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl |
−9.9
± 0.5
|
| 175 |
EDJ-MED-5cd3920d-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl |
−9.9
± 0.5
|
| 176 |
MAT-POS-e75f6e44-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)F |
−9.9
± 0.4
|
| 177 |
MAT-POS-e75f6e44-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)F |
−9.9
± 0.4
|
| 178 |
MAT-POS-e75f6e44-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)F |
−9.9
± 0.4
|
| 179 |
ALP-POS-ecbed2ba-12_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.9
± 0.3
|
| 180 |
MAT-POS-576f7758-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.8
± 0.3
|
| 181 |
MAT-POS-576f7758-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.8
± 0.3
|
| 182 |
EDJ-MED-9f4ac58c-4_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.8
± 0.6
|
| 183 |
MAT-POS-e75f6e44-19_2
|
|
CC1(CCC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.8
± 0.3
|
| 184 |
EDJ-MED-33064c06-16_1
|
|
COC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.8
± 0.5
|
| 185 |
EDJ-MED-33064c06-16_1
|
|
COC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.8
± 0.5
|
| 186 |
EDJ-MED-33064c06-16_1
|
|
COC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.8
± 0.5
|
| 187 |
PET-UNK-14142a25-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.8
± 0.3
|
| 188 |
PET-UNK-14142a25-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.8
± 0.3
|
| 189 |
MAT-POS-e75f6e44-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−9.8
± 0.3
|
| 190 |
EDJ-MED-40e596c8-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−9.8
± 0.6
|
| 191 |
EDJ-MED-40e596c8-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−9.8
± 0.6
|
| 192 |
EDJ-MED-40e596c8-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−9.8
± 0.6
|
| 193 |
EDJ-MED-b6c6ee2b-1_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl |
−9.8
± 0.3
|
| 194 |
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 |
−9.8
± 0.3
|
| 195 |
EDJ-MED-b6c6ee2b-1_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+](C)C)Cl |
−9.8
± 0.3
|
| 196 |
PET-UNK-7e9559de-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.8
± 0.3
|
| 197 |
PET-UNK-7e9559de-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.8
± 0.3
|
| 198 |
PET-UNK-7e9559de-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.8
± 0.3
|
| 199 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.7
± 0.3
|
| 200 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.7
± 0.3
|