| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 301 |
PET-UNK-94036022-4_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl |
−7.4
± 0.5
|
| 302 |
EDJ-MED-94fddcec-5_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.4
± 0.2
|
| 303 |
PET-UNK-94036022-6_1
|
|
C=C1C(=O)[C@]2(C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−7.4
± 0.6
|
| 304 |
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 |
−7.4
± 0.5
|
| 305 |
EDJ-MED-7587a9ee-3_1
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.3
± 0.2
|
| 306 |
MAT-POS-38eb6498-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−7.3
± 0.3
|
| 307 |
ALP-POS-ecbed2ba-14_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC#N |
−7.3
± 0.3
|
| 308 |
EDJ-MED-7587a9ee-1_1
|
|
CN1C(=O)N(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 |
−7.3
± 0.2
|
| 309 |
ALP-POS-ecbed2ba-6_2
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.3
± 0.4
|
| 310 |
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 |
−7.3
± 0.7
|
| 311 |
MAT-POS-853c0ffa-7_2
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−7.3
± 0.3
|
| 312 |
ALP-POS-afe0272e-1_1
|
|
CNC(=O)C[N@@H+]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl |
−7.3
± 0.3
|
| 313 |
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 |
−7.3
± 0.8
|
| 314 |
PET-UNK-94036022-2_2
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.3
± 0.5
|
| 315 |
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 |
−7.3
± 0.7
|
| 316 |
MAT-POS-c7726e07-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.3
± 0.2
|
| 317 |
EDJ-MED-e78d5f1a-1_2
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−7.2
± 0.1
|
| 318 |
LUO-POS-868e8996-10_2
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.2
± 0.5
|
| 319 |
EDJ-MED-94fddcec-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.2
± 0.2
|
| 320 |
MAT-POS-1bed62cf-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.2
± 0.4
|
| 321 |
LUO-POS-ed2cfb03-2_1
|
|
CNS(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.2
± 0.3
|
| 322 |
MAT-POS-853c0ffa-17_1
|
|
CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−7.2
± 0.4
|
| 323 |
VLA-MRT-8c78ee15-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O |
−7.2
± 0.2
|
| 324 |
MAT-POS-853c0ffa-9_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.2
± 0.5
|
| 325 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.2
± 0.3
|
| 326 |
MAT-POS-576f7758-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.2
± 0.3
|
| 327 |
MAT-POS-50a80394-4_4
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.2
± 0.3
|
| 328 |
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 |
−7.2
± 0.4
|
| 329 |
JOH-MSK-51c67e7d-1_1
|
|
C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.2
± 0.2
|
| 330 |
EDJ-MED-159244ea-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−7.2
± 0.1
|
| 331 |
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 |
−7.2
± 0.6
|
| 332 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.1
± 0.4
|
| 333 |
PET-UNK-94036022-12_2
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−7.1
± 0.4
|
| 334 |
MIK-ENA-5d9157e9-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.1
± 0.5
|
| 335 |
ALP-POS-ecbed2ba-9_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)N6CC(C6)C#N |
−7.1
± 0.7
|
| 336 |
MAT-POS-50a80394-6_3
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.1
± 0.3
|
| 337 |
EDJ-MED-ee81482e-5_2
|
|
c1cc2cncc(c2cc1C[NH+]3CC4(C3)COC4)N5CC[C@@]6(C5=O)C[N@](Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N |
−7.1
± 0.5
|
| 338 |
VLA-MRT-8c78ee15-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−7.1
± 0.3
|
| 339 |
MAT-POS-2e8b2191-8_2
|
|
CN1C(=O)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 |
−7.1
± 0.2
|
| 340 |
EDJ-MED-8bb691af-4_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.1
± 0.3
|
| 341 |
ALP-POS-ecbed2ba-6_1
|
|
COC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.1
± 0.4
|
| 342 |
JOH-MSK-51c67e7d-2_2
|
|
C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.0
± 0.2
|
| 343 |
MAT-POS-1d5ab790-1_1
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.0
± 0.6
|
| 344 |
EDJ-MED-b6c6ee2b-4_2
|
|
c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.0
± 0.5
|
| 345 |
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 |
−7.0
± 0.4
|
| 346 |
JOH-MSK-1f2dff76-1_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.0
± 0.2
|
| 347 |
MAT-POS-1d5ab790-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−7.0
± 0.3
|
| 348 |
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 |
−7.0
± 0.8
|
| 349 |
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 |
−7.0
± 0.5
|
| 350 |
JOH-MSK-51c67e7d-1_2
|
|
C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.0
± 0.2
|
| 351 |
MAT-POS-c2d406ed-4_2
|
|
CN1C(=S)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−7.0
± 0.3
|
| 352 |
MAT-POS-50a80394-4_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.0
± 0.3
|
| 353 |
EDJ-MED-98c0a822-1_2
|
|
CNC(=O)C1(CCC1)[N@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−6.9
± 0.4
|
| 354 |
MAT-POS-853c0ffa-21_1
|
|
CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl |
−6.9
± 0.3
|
| 355 |
MAT-POS-b4d6b7fc-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−6.9
± 0.3
|
| 356 |
PET-UNK-94036022-10_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−6.9
± 0.4
|
| 357 |
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 |
−6.9
± 0.7
|
| 358 |
EDJ-MED-7587a9ee-3_2
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.9
± 0.3
|
| 359 |
VLA-MRT-8c78ee15-3_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−6.9
± 0.3
|
| 360 |
ALP-POS-ecbed2ba-7_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.9
± 0.2
|
| 361 |
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 |
−6.9
± 0.6
|
| 362 |
MAT-POS-1d5ab790-2_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−6.9
± 0.3
|
| 363 |
VLA-MRT-a639d434-1_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−6.9
± 0.3
|
| 364 |
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 |
−6.9
± 0.6
|
| 365 |
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 |
−6.8
± 0.5
|
| 366 |
ALP-POS-ecbed2ba-13_1
|
|
CC(C)(CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−6.8
± 0.5
|
| 367 |
MAT-POS-853c0ffa-22_2
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−6.8
± 0.7
|
| 368 |
EDJ-MED-a6bab6fb-1_2
|
|
Cc1cccc2c1c(cnc2)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−6.8
± 0.2
|
| 369 |
LUO-POS-b4dec3be-2_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−6.7
± 0.3
|
| 370 |
ALP-POS-ecbed2ba-19_1
|
|
C[N@@](CCO)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.7
± 0.4
|
| 371 |
EDJ-MED-8bb691af-2_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.5
|
| 372 |
MAT-POS-96396902-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−6.7
± 0.3
|
| 373 |
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 |
−6.7
± 0.5
|
| 374 |
LUO-POS-b4dec3be-1_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−6.7
± 0.3
|
| 375 |
MAT-POS-50a80394-8_2
|
|
CC1(CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C |
−6.7
± 0.9
|
| 376 |
MAT-POS-1bed62cf-3_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−6.7
± 0.2
|
| 377 |
MAT-POS-853c0ffa-14_2
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl |
−6.7
± 0.4
|
| 378 |
MAT-POS-50a80394-7_2
|
|
CC1(CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C |
−6.6
± 0.3
|
| 379 |
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 |
−6.6
± 0.6
|
| 380 |
MAT-POS-50a80394-5_3
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.6
± 0.3
|
| 381 |
EDJ-MED-98c0a822-1_1
|
|
CNC(=O)C1(CCC1)[N@@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−6.6
± 0.5
|
| 382 |
VLA-MRT-a639d434-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O |
−6.6
± 0.2
|
| 383 |
MAT-POS-50a80394-1_3
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−6.6
± 0.3
|
| 384 |
EDJ-MED-8bb691af-5_2
|
|
c1ccc2c(c1)cncc2N3C[C@]4(CC3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.6
± 0.5
|
| 385 |
EDJ-MED-ee81482e-3_4
|
|
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 |
−6.6
± 0.8
|
| 386 |
MAT-POS-983b399a-2_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−6.6
± 0.1
|
| 387 |
MAT-POS-50a80394-6_2
|
|
CC(C)[C@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.5
± 0.3
|
| 388 |
MAT-POS-853c0ffa-5_1
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.5
± 0.6
|
| 389 |
EDJ-MED-f3cfbbb5-1_2
|
|
Cc1cccc2c1c(cnc2)N3CC[C@@]4(C3)COCc5c4cc(cc5)Cl |
−6.5
± 0.1
|
| 390 |
PET-UNK-94036022-13_1
|
|
C=C1C(=O)[C@]2(C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−6.5
± 0.6
|
| 391 |
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 |
−6.5
± 0.8
|
| 392 |
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
± 0.5
|
| 393 |
VLA-MRT-8c78ee15-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O |
−6.4
± 0.2
|
| 394 |
ALP-POS-ecbed2ba-3_2
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.4
± 0.4
|
| 395 |
EDJ-MED-e78d5f1a-1_1
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−6.3
± 0.1
|
| 396 |
EDJ-MED-159244ea-2_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−6.3
± 0.1
|
| 397 |
ALP-POS-ecbed2ba-19_3
|
|
C[N@@](CCO)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6
± 1
|
| 398 |
LUO-POS-eaf50f21-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)[NH+]=C3N |
−6.3
± 0.4
|
| 399 |
PET-UNK-94036022-3_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−6.3
± 0.3
|
| 400 |
PET-UNK-94036022-7_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−6.2
± 0.3
|