| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 201 |
MAT-POS-853c0ffa-20_1
|
|
CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl |
−6.9
± 0.3
|
| 202 |
ALP-POS-ecbed2ba-16_1
|
|
C[N@@](CCC#N)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.9
± 0.3
|
| 203 |
ALP-POS-ecbed2ba-19_2
|
|
C[N@](CCO)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.9
± 0.3
|
| 204 |
MAT-POS-50a80394-5_4
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.9
± 0.3
|
| 205 |
ALP-POS-ecbed2ba-20_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 |
−6.9
± 0.7
|
| 206 |
EDJ-MED-ee81482e-5_1
|
|
c1cc2cncc(c2cc1C[NH+]3CC4(C3)COC4)N5CC[C@@]6(C5=O)C[N@@](Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N |
−6.9
± 0.4
|
| 207 |
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 |
−6.9
± 0.7
|
| 208 |
MAT-POS-40ad851a-2_4
|
|
CC[N@H+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.9
± 0.7
|
| 209 |
MAT-POS-50a80394-4_4
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.9
± 0.2
|
| 210 |
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 |
−6.9
± 0.5
|
| 211 |
MAT-POS-853c0ffa-19_2
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCC[NH+](C)C)Cl |
−6.8
± 0.4
|
| 212 |
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 |
−6.8
± 0.6
|
| 213 |
MAT-POS-38eb6498-1_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.8
± 0.7
|
| 214 |
ALP-POS-477dc5b7-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.8
± 0.1
|
| 215 |
MAT-POS-576f7758-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.2
|
| 216 |
EDJ-MED-fd8ed875-3_1
|
|
CNC(=O)CN1C[C@]2(C=CN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−6.7
± 0.2
|
| 217 |
PET-UNK-94036022-9_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.3
|
| 218 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−6.7
± 0.2
|
| 219 |
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 |
−6.7
± 0.7
|
| 220 |
ALP-POS-4483ae88-2_2
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−6.7
± 0.2
|
| 221 |
ALP-POS-4483ae88-2_1
|
|
CNC(=O)C[N@@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−6.7
± 0.2
|
| 222 |
MAT-POS-40ad851a-4_1
|
|
C[NH+](C)CCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.3
|
| 223 |
LUO-POS-8484f2d3-1_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.6
|
| 224 |
MAT-POS-853c0ffa-22_1
|
|
CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−6.6
± 0.3
|
| 225 |
MIK-ENA-5d9157e9-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.6
± 0.4
|
| 226 |
EDJ-MED-fed7ac0b-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CN3)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.6
± 0.4
|
| 227 |
EDJ-MED-ee81482e-1_2
|
|
c1cc2cncc(c2cc1OC3C[NH2+]C3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.6
± 0.6
|
| 228 |
MAT-POS-50a80394-1_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−6.6
± 0.4
|
| 229 |
MAT-POS-853c0ffa-19_1
|
|
CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCC[NH+](C)C)Cl |
−6.6
± 0.5
|
| 230 |
PET-UNK-14142a25-10_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−6.5
± 0.2
|
| 231 |
ALP-POS-ecbed2ba-16_3
|
|
C[N@@](CCC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.5
± 0.6
|
| 232 |
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 |
−6.5
± 0.5
|
| 233 |
EDJ-MED-cc48ee33-4_1
|
|
Cc1cnn(c1C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C |
−6.5
± 0.2
|
| 234 |
MAT-POS-50a80394-7_2
|
|
CC1(CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C |
−6.5
± 0.2
|
| 235 |
EDJ-MED-a12e3a20-2_1
|
|
CNC(=O)CN1C[C@@]2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 |
−6.5
± 0.2
|
| 236 |
MAT-POS-69786b79-2_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−6.5
± 0.3
|
| 237 |
EDJ-MED-5cd3920d-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F |
−6.4
± 0.4
|
| 238 |
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 |
−6.4
± 0.5
|
| 239 |
MAT-POS-853c0ffa-7_2
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−6.4
± 0.3
|
| 240 |
PET-UNK-94036022-9_2
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.4
± 0.4
|
| 241 |
ALP-POS-ecbed2ba-9_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)N6CC(C6)C#N |
−6.4
± 0.5
|
| 242 |
MAT-POS-853c0ffa-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl |
−6.4
± 0.2
|
| 243 |
EDJ-MED-5cd3920d-6_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−6.4
± 0.4
|
| 244 |
ALP-POS-ecbed2ba-6_2
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.3
± 0.4
|
| 245 |
ALP-POS-ecbed2ba-13_1
|
|
CC(C)(CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−6.3
± 0.3
|
| 246 |
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 |
−6.3
± 0.6
|
| 247 |
EDJ-MED-dfa1d800-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+]6CCOCC6)c7cc(ccc7C2=O)Cl |
−6.3
± 0.3
|
| 248 |
ALP-POS-ecbed2ba-11_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCOCC6)C#N |
−6.3
± 0.5
|
| 249 |
ALP-POS-ecbed2ba-7_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.3
± 0.2
|
| 250 |
ALP-POS-ecbed2ba-21_1
|
|
C[N@@](CCOC)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.3
± 0.4
|
| 251 |
MAT-POS-be048f2c-7_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 |
−6.3
± 0.2
|
| 252 |
MAT-POS-40ad851a-4_2
|
|
C[NH+](C)CCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.3
± 0.6
|
| 253 |
VLA-UCB-34f3ed0c-15_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CN6CC[NH2+]CC6 |
−6.2
± 0.3
|
| 254 |
PET-UNK-94036022-10_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−6.2
± 0.2
|
| 255 |
EDJ-MED-b6c6ee2b-4_1
|
|
c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.2
± 0.4
|
| 256 |
EDJ-MED-d4864bdc-4_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.2
± 0.3
|
| 257 |
EDJ-MED-5cd3920d-1_2
|
|
c1cc2cncc(c2cc1OC(F)F)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.2
± 0.4
|
| 258 |
EDJ-MED-a12e3a20-1_2
|
|
c1ccc2c(c1)cncc2N3CC(=O)[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.2
± 0.5
|
| 259 |
ALP-POS-ecbed2ba-17_2
|
|
C[N@](CC#N)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.2
± 0.3
|
| 260 |
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 |
−6.2
± 0.5
|
| 261 |
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 |
−6.2
± 0.4
|
| 262 |
EDJ-MED-7e491f08-1_1
|
|
c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F |
−6.1
± 0.3
|
| 263 |
PET-UNK-94036022-2_2
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.1
± 0.3
|
| 264 |
DAR-DIA-0f7b7cd9-9_1
|
|
c1ccc2c(c1)cncc2N3CC(=O)[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.1
± 0.1
|
| 265 |
MAT-POS-69786b79-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.0
± 0.2
|
| 266 |
EDJ-MED-7587a9ee-3_1
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.0
± 0.2
|
| 267 |
LUO-POS-ed2cfb03-2_1
|
|
CNS(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.0
± 0.3
|
| 268 |
MAT-POS-853c0ffa-16_1
|
|
COC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−6.0
± 0.3
|
| 269 |
EDJ-MED-159244ea-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.0
± 0.1
|
| 270 |
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 |
−6.0
± 0.3
|
| 271 |
ALP-POS-ecbed2ba-17_3
|
|
C[N@@](CC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.0
± 0.5
|
| 272 |
ALP-POS-ecbed2ba-19_3
|
|
C[N@@](CCO)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.0
± 0.4
|
| 273 |
EDJ-MED-cc48ee33-3_1
|
|
Cn1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−5.9
± 0.2
|
| 274 |
PET-UNK-94036022-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−5.9
± 0.4
|
| 275 |
MAT-POS-853c0ffa-6_2
|
|
c1cc2c(cc1Cl)[C@@]3(CCN(C3=O)c4cncc5c4c(cc(c5)F)Cl)C[N@](C2)S(=O)(=O)CC6(CC6)C#N |
−5.9
± 0.4
|
| 276 |
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 |
−5.9
± 0.3
|
| 277 |
EDJ-MED-468565e0-3_1
|
|
c1cc2cncc(c2cc1OCCN3CCS(=O)(=O)CC3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−5.9
± 0.6
|
| 278 |
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 |
−5.9
± 0.5
|
| 279 |
ALP-POS-ecbed2ba-22_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N |
−5.8
± 0.4
|
| 280 |
PET-UNK-7e9559de-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−5.8
± 0.2
|
| 281 |
MIK-ENA-5d9157e9-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−5.8
± 0.4
|
| 282 |
MAT-POS-853c0ffa-11_2
|
|
CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−5.8
± 0.5
|
| 283 |
EDJ-MED-94fddcec-7_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−5.8
± 0.2
|
| 284 |
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 |
−5.8
± 0.5
|
| 285 |
MAT-POS-38eb6498-1_2
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−5.8
± 0.5
|
| 286 |
EDJ-MED-7587a9ee-3_2
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.8
± 0.2
|
| 287 |
EDJ-MED-468565e0-1_2
|
|
c1cc2cncc(c2cc1OCC[NH+]3CCCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−5.7
± 0.6
|
| 288 |
EDJ-MED-468565e0-5_2
|
|
c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−5.7
± 0.6
|
| 289 |
ALP-POS-ecbed2ba-18_2
|
|
CC[N@](C)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.7
± 0.4
|
| 290 |
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 |
−5.7
± 0.5
|
| 291 |
EDJ-MED-94fddcec-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−5.7
± 0.1
|
| 292 |
MAT-POS-853c0ffa-21_2
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl |
−5.7
± 0.4
|
| 293 |
EDJ-MED-ede5c6cb-1_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−5.7
± 0.2
|
| 294 |
ALP-POS-41e2080f-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−5.7
± 0.2
|
| 295 |
ALP-POS-ecbed2ba-17_4
|
|
C[N@](CC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.7
± 0.5
|
| 296 |
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 |
−5.7
± 0.4
|
| 297 |
ALP-POS-ecbed2ba-9_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)N6CC(C6)C#N |
−5.6
± 0.5
|
| 298 |
MAT-POS-96396902-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−5.6
± 0.2
|
| 299 |
EDJ-MED-8bb691af-4_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.6
± 0.2
|
| 300 |
LUO-POS-868e8996-11_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.6
± 0.2
|