| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 2401 |
MAT-POS-24589f88-11_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H](O5)C(=O)N6CCCC6 |
−6.51
± 0.09
|
| 2402 |
ALP-POS-347519b5-1_45
|
|
CS(=O)(=O)[N@@]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5 |
−6.5
± 0.2
|
| 2403 |
ERI-UCB-b3e6b0c2-1_1
|
|
c1cc2cncc(c2cc1C[NH3+])NC(=O)[C@@H]3COc4c3cc(cc4)Cl |
−6.5
± 0.2
|
| 2404 |
EDG-MED-90036822-38_1
|
|
C[C@@H](CNCC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O |
−6.5
± 0.5
|
| 2405 |
ALP-POS-a0a4abd7-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3ccc(c4)Cl)CNc5ccc[nH]c5=O |
−6.5
± 0.2
|
| 2406 |
MAK-UNK-ffc90da7-7_3
|
|
CC(C)OC[C@@H]([C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)[NH2+]C |
−6.5
± 0.3
|
| 2407 |
MAT-POS-b3e365b9-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−6.51
± 0.08
|
| 2408 |
DAR-DIA-4987d2cd-4_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3c4cc(ccc4CN3c5c(c(=O)c5=O)[O-])Cl |
−6.5
± 0.3
|
| 2409 |
MIC-UNK-5a93dd5f-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[N@@]4CC[C@@H](C4)[NH+]5CCCCC5 |
−6.5
± 0.5
|
| 2410 |
MAT-POS-89e65850-3_1
|
|
COc1cc(c2cc(ccc2n1)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.5
± 0.3
|
| 2411 |
ALF-EVA-650655fc-5_2
|
|
C[NH2+]Cc1ccc2cncc(c2c1)NC(=O)N(CCC3CCCCC3)c4cc(cc(c4)Cl)O[C@H]5CC(=O)N5 |
−6.50
± 0.08
|
| 2412 |
ALP-POS-5290f14d-1_1
|
|
CO[C@@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−6.5
± 0.1
|
| 2413 |
RAL-THA-6e4c80cf-2_1
|
|
CCOC(=O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−6.50
± 0.10
|
| 2414 |
ALP-POS-6d96567b-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3ccc(c4)Cl)C[NH2+]Cc5c[nH]c(=O)[nH]c5=O |
−6.5
± 0.2
|
| 2415 |
MIC-UNK-d58dbb53-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCCS5(=O)=O |
−6.5
± 0.2
|
| 2416 |
DAR-DIA-0d514e7d-15_1
|
|
C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cc(ccc5F)F |
−6.5
± 0.3
|
| 2417 |
ALP-POS-d3acb8cc-3_1
|
|
C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.5
± 0.6
|
| 2418 |
RAL-THA-8416115c-12_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5n[n-]nn5 |
−6.5
± 0.5
|
| 2419 |
MAK-UNK-8be7dca9-2_2
|
|
c1cc2c(cc1CC(=O)N)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−6.5
± 0.3
|
| 2420 |
EDG-MED-90036822-94_5
|
|
C[C@@H]1C[C@@H]1[C@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−6.5
± 0.5
|
| 2421 |
ALP-POS-3b848b35-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](CCC3CCCCC3)c4cccc(c4)Cl |
−6.5
± 0.2
|
| 2422 |
MAT-POS-4223bc15-29_1
|
|
CNC(=O)NS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−6.5
± 0.2
|
| 2423 |
MAT-POS-e9e99895-2_7
|
|
CC(C)[N@@H+]1CCO[C@H](C1)C(=O)N[C@](C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.49
± 0.10
|
| 2424 |
DAR-DIA-5ff57136-19_1
|
|
C[NH+](C)C/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−6.5
± 0.3
|
| 2425 |
PET-UNK-2c6614b6-7_1
|
|
c1cc2c(cc1Cl)[C@@H](CCS2(=O)=O)C(=O)Nc3cncc4c3cc(c(c4)F)F |
−6.5
± 0.4
|
| 2426 |
EDJ-MED-d1555997-1_3
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3c(ccc4)F)Cl |
−6.5
± 0.2
|
| 2427 |
VLA-UCB-34f3ed0c-11_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O |
−6.49
± 0.10
|
| 2428 |
EDJ-MED-d1555997-1_2
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3c(ccc4)F)Cl |
−6.5
± 0.3
|
| 2429 |
RAL-THA-05e671eb-30_1
|
|
COc1c(ccc2c1[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl |
−6.5
± 0.4
|
| 2430 |
DAR-DIA-ecdbc7dd-14_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCNc4c3cc(cc4)Cl)C[NH+]5CC5 |
−6.49
± 0.08
|
| 2431 |
LON-WEI-5e7d1b3e-36_1
|
|
Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−6.5
± 0.3
|
| 2432 |
EDJ-MED-15e90dfc-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNc5ccn[nH]5 |
−6.5
± 0.2
|
| 2433 |
ALP-POS-5bb456a5-2_3
|
|
C[C@@H]1C[N@](CC[C@@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−6.5
± 0.3
|
| 2434 |
ALF-EVA-0b412456-3_1
|
|
Cc1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC(=O)N4 |
−6.48
± 0.09
|
| 2435 |
MAT-POS-61f37a1a-7_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cn(nn5)C[C@@H]6CCOC6 |
−6.48
± 0.09
|
| 2436 |
MAT-POS-24589f88-13_1
|
|
CNS(=O)(=O)c1cc(ccc1F)C[NH2+]C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.48
± 0.10
|
| 2437 |
EDJ-MED-923a35c2-1_4
|
|
CO[C@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−6.5
± 0.2
|
| 2438 |
MIC-UNK-16ccb665-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C(F)F |
−6.5
± 0.3
|
| 2439 |
EDJ-MED-ba7e64f2-1_1
|
|
c1cc2cncc(c2cc1O)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−6.5
± 0.3
|
| 2440 |
PET-UNK-03fd2068-5_2
|
|
CS(=O)(=O)[N@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)F |
−6.5
± 0.3
|
| 2441 |
PET-UNK-1320d94d-12_1
|
|
CN(C)C(=O)[C@H]1CC[C@H](O1)C(=O)N[C@@H](c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.5
± 0.2
|
| 2442 |
MIC-UNK-50cce87d-11_1
|
|
Cc1cccc2c1c(cnc2)N3CCC[C@@H](C3=O)c4cccc(c4)Cl |
−6.5
± 0.4
|
| 2443 |
MAK-UNK-c749d764-15_14
|
|
C[C@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F)OCC4CCCCC4 |
−6.5
± 0.4
|
| 2444 |
ERI-UCB-b3e6b0c2-12_2
|
|
C[N@]1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3ccc(c4)C[NH3+] |
−6.5
± 0.3
|
| 2445 |
MAT-POS-fb82b63d-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4CC[NH2+]3)Cl |
−6.47
± 0.08
|
| 2446 |
EDG-MED-90036822-91_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](c5cccc(c5)F)[NH3+] |
−6.5
± 0.4
|
| 2447 |
ALP-UNI-8e43a71e-15_21
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@@H]5C[C@H](C6)C(=O)N |
−6.47
± 0.07
|
| 2448 |
MAT-POS-8a69d52e-1_2
|
|
C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.5
± 0.2
|
| 2449 |
MIC-UNK-0a05c952-4_3
|
|
c1ccc2c(c1)cncc2N3[C@@H](CC[C@H](C3=O)c4ccc(c(c4)Cl)Cl)[C@@H]5CO5 |
−6.47
± 0.07
|
| 2450 |
KAD-UNI-cb0f2bbc-16_1
|
|
COc1cc(cc(c1OCC(=O)N)OC)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.5
± 0.2
|
| 2451 |
DAR-DIA-9e4459de-13_9
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O |
−6.5
± 0.3
|
| 2452 |
EDJ-MED-923a35c2-1_1
|
|
CO[C@@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−6.5
± 0.3
|
| 2453 |
VLA-UNK-c65c1026-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)CC[C@]4(C3=O)CNc5c4cc(cc5)Cl |
−6.5
± 0.2
|
| 2454 |
ALP-UNI-0676e700-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)c6n[n-]nn6 |
−6.5
± 0.3
|
| 2455 |
WIL-UNI-0732ac76-2_3
|
|
C[C@@](CN([C@H](c1cncc2c1cccc2)C(=O)Nc3ccccc3)C(=O)c4ccncc4)(c5ccccc5F)C(=O)OC |
−6.5
± 0.4
|
| 2456 |
ERI-UCB-8d4e5055-1_1
|
|
c1cc2c(cc1CN3CC[NH2+]CC3)cncc2NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−6.5
± 0.3
|
| 2457 |
ALP-UNI-3496895b-15_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@H]5C[C@H](C6)C(=O)N |
−6.5
± 0.3
|
| 2458 |
ALF-EVA-07677224-7_4
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−6.5
± 0.2
|
| 2459 |
MAT-POS-de59a476-2_1
|
|
CO[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−6.46
± 0.10
|
| 2460 |
EDG-MED-90036822-47_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C |
−6.5
± 0.6
|
| 2461 |
MIC-UNK-cdc2493e-7_2
|
|
c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)[C@H]4CCc5ccccc5C4 |
−6.5
± 0.4
|
| 2462 |
ALP-UNI-8e43a71e-15_11
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@@H]6[C@H]5C[C@@H](C6)C(=O)N |
−6.5
± 0.3
|
| 2463 |
ALP-POS-fe871b40-5_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cn4)Cl |
−6.5
± 0.2
|
| 2464 |
DAR-DIA-0f2f46c9-5_2
|
|
CS(=O)(=O)[N@]1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.5
± 0.2
|
| 2465 |
ALP-POS-347519b5-2_38
|
|
CO[C@]1(C[N@@](C[C@H]2[C@@H]1[C@@H]3CC[C@H]2C3)S(=O)(=O)C)C(=O)Nc4cncc5c4cccc5 |
−6.5
± 0.3
|
| 2466 |
EDJ-MED-9e38fd34-2_1
|
|
C[C@]1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.5
± 0.3
|
| 2467 |
MAT-POS-11b63608-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Br |
−6.45
± 0.09
|
| 2468 |
EDJ-MED-841e0cf0-3_1
|
|
CO[C@@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−6.4
± 0.2
|
| 2469 |
MIC-UNK-0a05c952-2_8
|
|
c1ccc2c(c1)cncc2N3[C@H](CC[C@H](C3=O)c4cccc(c4)Cl)[C@H]5CO5 |
−6.45
± 0.07
|
| 2470 |
EDG-MED-70ae9412-2_1
|
|
C[NH+](C)CC(=O)NC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.44
± 0.09
|
| 2471 |
DAR-DIA-9e4459de-15_16
|
|
c1cc2c(c(c1)NC(=O)CCC(=O)Nc3ccc4c(c3)cncc4NC(=O)[C@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−6.4
± 0.4
|
| 2472 |
RAL-THA-8416115c-3_3
|
|
CCN1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.4
± 0.3
|
| 2473 |
MAT-POS-4223bc15-13_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@@H]5CC[C@@H]5O |
−6.4
± 0.2
|
| 2474 |
MAT-POS-45b13633-3_2
|
|
C[NH+](C)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.44
± 0.10
|
| 2475 |
EDG-MED-90036822-74_2
|
|
C[N@H+]1C[C@@H](C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−6.4
± 0.5
|
| 2476 |
EDG-MED-90036822-88_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H](CCF)C[NH3+] |
−6.4
± 0.5
|
| 2477 |
DAR-DIA-ecdbc7dd-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCNc4c3cc(cc4)Cl)C[NH3+] |
−6.4
± 0.2
|
| 2478 |
MAT-POS-4223bc15-13_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CC[C@@H]5O |
−6.44
± 0.08
|
| 2479 |
MAK-UNK-8be7dca9-10_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[C@H](Oc4c3cc(cc4)Cl)C(=O)[O-] |
−6.4
± 0.4
|
| 2480 |
JAG-UCB-f37eaa14-9_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](c5c4cc(cc5)Cl)C6CC(=O)C6 |
−6.4
± 0.2
|
| 2481 |
MAT-POS-4223bc15-9_16
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CCC[C@H]5O |
−6.4
± 0.1
|
| 2482 |
MAT-POS-24589f88-15_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccc(cc5)N6CCNC(=O)C6 |
−6.43
± 0.09
|
| 2483 |
ALP-UNI-8e43a71e-5_16
|
|
C[C@H]1C[N@](CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−6.43
± 0.07
|
| 2484 |
ALP-POS-fe871b40-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cn4)Cl |
−6.4
± 0.2
|
| 2485 |
BEN-DND-a02b439d-3_1
|
|
COCC[N@@H+]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)Cl |
−6.4
± 0.2
|
| 2486 |
ALP-UNI-8e43a71e-15_20
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@@H]6[C@@H]5C[C@H](C6)C(=O)N |
−6.4
± 0.2
|
| 2487 |
RAL-THA-c9f97604-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4[C@@H]5OC[C@H]3O5)Cl |
−6.4
± 0.3
|
| 2488 |
EDJ-MED-6d9ff7d0-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)[NH2+]CCc5ccccn5 |
−6.4
± 0.3
|
| 2489 |
MAT-POS-a3f7f96a-6_1
|
|
C[C@@]1(CCS(=O)(=O)C1)n2cc(cn2)C[NH2+]C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.4
± 0.2
|
| 2490 |
ALP-UNI-3496895b-2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@H]5CCC[N@@H+]6CCO |
−6.4
± 0.3
|
| 2491 |
MAT-POS-e6dd326d-8_2
|
|
C=CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.42
± 0.10
|
| 2492 |
MAT-POS-4223bc15-13_14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CC[C@H]5O |
−6.4
± 0.2
|
| 2493 |
EDJ-MED-d203f206-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5c6n[n-]nn6 |
−6.4
± 0.4
|
| 2494 |
ALP-POS-347519b5-2_42
|
|
CO[C@]1(C[N@@](C[C@@H]2[C@H]1[C@@H]3CC[C@H]2C3)S(=O)(=O)C)C(=O)Nc4cncc5c4cccc5 |
−6.4
± 0.3
|
| 2495 |
MAK-UNK-b7886382-1_2
|
|
C[C@H](C[NH2+]CCCO)N(Cc1ccsc1)C(=O)Cc2cncc3c2cccc3 |
−6.4
± 0.3
|
| 2496 |
DAR-DIA-0587064e-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4OCC5CC5)Cl |
−6.4
± 0.2
|
| 2497 |
ALF-EVA-650655fc-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCC3CCOCC3)c4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 |
−6.42
± 0.07
|
| 2498 |
RAL-THA-05e671eb-8_2
|
|
COc1ccc2c(c1)[C@H](CCO2)C(=O)Nc3cncc4c3cccc4 |
−6.4
± 0.5
|
| 2499 |
DAR-DIA-5ff57136-10_1
|
|
c1ccc2c(c1)cncc2N(C#CC#N)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−6.4
± 0.1
|
| 2500 |
ALP-POS-347519b5-1_46
|
|
CS(=O)(=O)[N@]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5 |
−6.4
± 0.2
|