| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 3501 |
PET-UNK-d61f3ea6-4_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@]5CCC(C5)(F)F |
−5.5
± 0.3
|
| 3502 |
DAR-DIA-9e4459de-15_7
|
|
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 |
−5.5
± 0.3
|
| 3503 |
EDJ-MED-827e7cb4-1_2
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@H]3CNC(=O)c4c3cc(cc4)Cl |
−5.5
± 0.2
|
| 3504 |
JOH-UNI-ea72002d-7_2
|
|
c1ccc2c(c1)cncc2N(C(=O)[C@H]3CCOc4c3cc(cc4)Cl)NS(=O)(=O)F |
−5.5
± 0.3
|
| 3505 |
ALP-UNI-3496895b-2_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@@H]5CCC[N@H+]6CCO |
−5.5
± 0.3
|
| 3506 |
ALP-UNI-dbbfd3db-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCN(C5=O)C6CC6 |
−5.5
± 0.2
|
| 3507 |
PET-UNK-ac320b15-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)[C@H]4CC[C@H](O4)C(=O)N5CCCC5 |
−5.5
± 0.2
|
| 3508 |
EDJ-MED-d203f206-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5c6ncon6 |
−5.5
± 0.3
|
| 3509 |
PET-UNK-9bf1291a-1_1
|
|
CO[C@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−5.5
± 0.2
|
| 3510 |
ALP-UNI-8e43a71e-15_2
|
|
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 |
−5.5
± 0.5
|
| 3511 |
JIN-POS-6dc588a4-23_1
|
|
COc1c2ccccc2c(cn1)NC(=O)Cc3cccc(c3)Cl |
−5.51
± 0.10
|
| 3512 |
RAL-THA-05e671eb-30_2
|
|
COc1c(ccc2c1[C@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl |
−5.5
± 0.5
|
| 3513 |
ALP-POS-347519b5-1_29
|
|
CS(=O)(=O)[N@@]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−5.5
± 0.2
|
| 3514 |
EDG-MED-90036822-105_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CNC5CC5)(F)F |
−5.5
± 0.4
|
| 3515 |
ALP-POS-a577c8a2-2_4
|
|
C[N@]1C[C@H](c2cc(ccc2S1(=O)=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.5
± 0.3
|
| 3516 |
KAD-UNI-b13decd3-1_3
|
|
Cn1cc(cn1)N2CC[C@H](C2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.5
± 0.4
|
| 3517 |
PET-UNK-9bf1291a-3_1
|
|
CC(=O)N1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl |
−5.5
± 0.7
|
| 3518 |
ALP-POS-347519b5-2_36
|
|
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 |
−5.5
± 0.3
|
| 3519 |
MAT-POS-4223bc15-11_2
|
|
C[C@H]1CC[N@@](C1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−5.50
± 0.09
|
| 3520 |
EDJ-MED-670ad2ee-3_2
|
|
CO[C@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−5.5
± 0.5
|
| 3521 |
EDJ-MED-ce467fd5-3_2
|
|
CNC(=O)CN1C[C@](c2cc(ccc2C1=O)Cl)(C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C)OC |
−5.5
± 0.4
|
| 3522 |
DAR-DIA-ecdbc7dd-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCNc4c3cc(cc4)Cl)C[NH+]5CCC5 |
−5.5
± 0.2
|
| 3523 |
EDG-MED-90036822-83_4
|
|
C[N@H+]1CC[C@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.5
± 0.7
|
| 3524 |
DAR-DIA-4987d2cd-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CN(Cc4c3cc(cc4)Cl)c5c(c(=O)c5=O)N |
−5.5
± 0.3
|
| 3525 |
EDJ-MED-d203f206-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(CO)O |
−5.5
± 0.3
|
| 3526 |
ERI-UCB-b3e6b0c2-10_1
|
|
c1cc2c(cc1C[NH3+])cncc2NC(=O)[C@@H]3COc4c3cc(cc4)Cl |
−5.5
± 0.2
|
| 3527 |
EDG-MED-90036822-87_1
|
|
CN(C)CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F |
−5.5
± 0.4
|
| 3528 |
MAK-UNK-b7886382-3_1
|
|
CCCCN(c1ccc(cc1)N(C)C)C(=O)Cc2cncc3c2cccc3 |
−5.5
± 0.3
|
| 3529 |
DAR-DIA-ecdbc7dd-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH+]5CCCC5 |
−5.49
± 0.09
|
| 3530 |
ALP-POS-f13221e1-1_1
|
|
Cn1ccc2c1cc(cc2)CC(=O)Nc3cncc4c3cccc4 |
−5.5
± 0.3
|
| 3531 |
RAL-THA-05e671eb-22_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cccc4F |
−5.5
± 0.7
|
| 3532 |
ALP-POS-ce760d3f-8_2
|
|
c1ccc2c(c1)cncc2N3CCC[C@H](C3=O)c4ccc(cc4)Cl |
−5.49
± 0.10
|
| 3533 |
RAL-THA-05e671eb-17_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4F)Cl |
−5.5
± 0.5
|
| 3534 |
EDJ-MED-670ad2ee-12_2
|
|
C[C@@]1(C[N@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−5.5
± 0.4
|
| 3535 |
EDG-MED-90036822-37_1
|
|
C[C@@H]([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O |
−5.5
± 0.6
|
| 3536 |
VLA-UNK-5c5a631c-2_2
|
|
c1ccc2c(c1)cncc2N(CCC=O)C(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−5.5
± 0.1
|
| 3537 |
MIC-UNK-460e637d-2_1
|
|
C[N@@H+]1CCN(C[C@@H]1CO[C@@H]2CC(=O)N2)C(=O)Cc3cncc4c3cccc4 |
−5.5
± 0.4
|
| 3538 |
KAD-UNI-8a629cb0-23_1
|
|
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 |
−5.5
± 0.3
|
| 3539 |
MAT-POS-4223bc15-13_8
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CC[C@@H]5O |
−5.5
± 0.3
|
| 3540 |
MAT-POS-61f37a1a-7_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cn(nn5)C[C@H]6CCOC6 |
−5.48
± 0.09
|
| 3541 |
DAR-DIA-f6ee7aeb-1_2
|
|
c1ccc2c(c1)cncc2N3C[C@H](C[C@@H](C3=O)c4cccc(c4)Cl)c5ccccc5C#N |
−5.5
± 0.2
|
| 3542 |
MAK-UNK-c749d764-8_5
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F |
−5.5
± 0.2
|
| 3543 |
EDJ-MED-ce467fd5-4_2
|
|
CNC(=O)CN1C[C@H](c2cc(cc(c2C1=O)F)F)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−5.5
± 0.2
|
| 3544 |
MAT-POS-5d65ec79-2_1
|
|
CNC(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.47
± 0.10
|
| 3545 |
PET-UNK-88d26eaf-1_1
|
|
CN(C)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl |
−5.5
± 0.2
|
| 3546 |
EDG-MED-90036822-94_6
|
|
C[C@H]1C[C@@H]1[C@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−5.5
± 0.3
|
| 3547 |
MAT-POS-dd3ad2b5-1_4
|
|
C[N@H+]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−5.5
± 0.2
|
| 3548 |
EDG-MED-ba1ac7b9-13_1
|
|
C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.47
± 0.10
|
| 3549 |
MAT-POS-4223bc15-32_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CN(Cc4c3cc(cc4)Cl)c5[nH]ccn5 |
−5.5
± 0.4
|
| 3550 |
MAK-UNK-c749d764-15_5
|
|
C[C@@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@@H]3O)C(F)F)OCC4CCCCC4 |
−5.5
± 0.2
|
| 3551 |
ALP-POS-347519b5-2_47
|
|
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 |
−5.5
± 0.3
|
| 3552 |
MAT-POS-5369c344-3_1
|
|
c1ccc(cc1)COc2cc(cc3c2OCC[C@@H]3C(=O)Nc4cncc5c4cccc5)Cl |
−5.5
± 0.2
|
| 3553 |
RAL-THA-2d450e86-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)C#N |
−5.46
± 0.10
|
| 3554 |
EDG-MED-90036822-98_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC[N@@]5CC(F)F |
−5.5
± 0.5
|
| 3555 |
MAT-POS-5f1400cf-1_7
|
|
Cn1cc(cn1)N2CC[C@H](C2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.46
± 0.09
|
| 3556 |
RAL-THA-8416115c-10_4
|
|
CNC(=O)CN1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.5
± 0.6
|
| 3557 |
MAT-POS-4223bc15-16_14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@]5CCC[C@H]5CO |
−5.5
± 0.4
|
| 3558 |
EDJ-MED-ee07cf00-16_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)Cn4cc(c(=O)[nH]c4=O)Cl |
−5.46
± 0.08
|
| 3559 |
ED_-GRI-5b13fbe2-50_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@@]5(C#N)C(=O)[O-] |
−5.5
± 0.4
|
| 3560 |
RAL-THA-2d450e86-29_1
|
|
COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl |
−5.5
± 0.5
|
| 3561 |
KAD-UNI-877d7bed-3_2
|
|
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3ccc(=O)[nH]c3=O)COc4cc(cc5c4OCC[C@H]5C(=O)Nc6cncc7c6cccc7)Cl)C |
−5.5
± 0.2
|
| 3562 |
ALP-POS-67d5babe-1_14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC[N@@H+]5CC[C@H]6CS(=O)(=O)C[C@H]6C5 |
−5.5
± 0.2
|
| 3563 |
EDG-MED-90036822-94_15
|
|
C[C@@H]1C[C@H]1[C@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−5.5
± 0.5
|
| 3564 |
EDG-MED-90036822-83_2
|
|
C[N@H+]1CC[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.5
± 0.5
|
| 3565 |
MAT-POS-4223bc15-4_4
|
|
COCCS(=O)(=O)[N@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−5.45
± 0.09
|
| 3566 |
ALF-EVA-650655fc-4_7
|
|
C[N@@H+]1CC[C@H](C1)CCN(c2cc(cc(c2)Cl)O[C@H]3CC(=O)N3)C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.3
|
| 3567 |
RAL-THA-05e671eb-22_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cccc4F |
−5.4
± 0.4
|
| 3568 |
ALP-POS-a0a4abd7-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3ccc(c4)Cl)CNc5c[nH]c(=O)[nH]c5=O |
−5.44
± 0.05
|
| 3569 |
ROB-CAM-4c532489-1_2
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3c(ccc4)C[NH3+])Cl |
−5.4
± 0.2
|
| 3570 |
RAL-THA-2d450e86-36_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccccc3Cl |
−5.44
± 0.10
|
| 3571 |
EDJ-MED-9e38fd34-1_1
|
|
C[C@@]1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.44
± 0.10
|
| 3572 |
KAD-UNI-b13decd3-1_1
|
|
Cn1cc(cn1)N2CC[C@@H](C2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.4
± 0.3
|
| 3573 |
MIC-UNK-ea4eb352-10_4
|
|
CO[C@]1(C[N@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−5.4
± 0.3
|
| 3574 |
ALP-POS-d91e0300-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(c(c4)F)Cl |
−5.4
± 0.3
|
| 3575 |
DAR-DIA-0d514e7d-21_1
|
|
C[C@H]1COc2c(cc(cc2N3CC[NH2+]CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.2
|
| 3576 |
DAR-DIA-0d514e7d-32_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@@H]4C[C@H]4CO[C@@H]5[C@@H]3C=C(C=C5)Cl |
−5.4
± 0.3
|
| 3577 |
LON-WEI-5e7d1b3e-9_1
|
|
Cc1cc(no1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C |
−5.4
± 0.5
|
| 3578 |
MAT-POS-4223bc15-13_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@@H]5CC[C@@H]5O |
−5.4
± 0.2
|
| 3579 |
RAL-THA-05e671eb-14_1
|
|
COc1ccc2c(c1)OCC[C@@H]2C(=O)Nc3cncc4c3cccc4 |
−5.4
± 0.5
|
| 3580 |
VLA-UCB-1dbca3b4-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−5.43
± 0.09
|
| 3581 |
MAT-POS-4223bc15-20_1
|
|
CCOC(=O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−5.4
± 0.3
|
| 3582 |
KAD-UNI-8a629cb0-37_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)c6ccnn6cn5 |
−5.4
± 0.4
|
| 3583 |
CHO-MSK-5891c1ff-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5n[nH]c(=O)s5 |
−5.4
± 0.4
|
| 3584 |
ALP-UNI-76695c4f-5_2
|
|
C[C@H](C(=O)N)[NH+]1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.3
|
| 3585 |
EDJ-MED-d203f206-28_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCN(CC5)c6[nH]ncn6 |
−5.4
± 0.3
|
| 3586 |
ALP-POS-347519b5-2_41
|
|
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 |
−5.4
± 0.3
|
| 3587 |
JAG-UCB-f37eaa14-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](c5c4cc(cc5)Cl)CC[NH2+]C6CC6 |
−5.4
± 0.3
|
| 3588 |
DAR-DIA-0d514e7d-22_1
|
|
C[C@H]1COc2c(cc(cc2N3CC[NH+](CC3)C)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.4
|
| 3589 |
KAD-UNI-cb0f2bbc-3_1
|
|
CC(C)(C)OC(=O)NCc1c(n(nn1)C)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.2
|
| 3590 |
MIC-UNK-06e5f114-3_3
|
|
CS(=O)(=O)[N@@]1CCC[C@H](C1)[NH2+]Cc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−5.4
± 0.2
|
| 3591 |
CHE-UNK-1fcbaeee-3_1
|
|
C=CC(=O)c1ccc(cc1)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cccc5 |
−5.4
± 0.3
|
| 3592 |
ALF-EVA-650655fc-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCC3CC3)c4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 |
−5.4
± 0.2
|
| 3593 |
ALF-EVA-0b412456-3_2
|
|
Cc1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@H]4CC(=O)N4 |
−5.42
± 0.08
|
| 3594 |
ED_-GRI-5b13fbe2-55_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@]5(C[NH2+]C[C@H]5CO)F |
−5.4
± 0.5
|
| 3595 |
MIC-UNK-6e9f8a43-2_1
|
|
CS[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.4
± 0.4
|
| 3596 |
MAT-POS-281d2ee9-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)c4[nH]ncn4 |
−5.4
± 0.4
|
| 3597 |
EDG-MED-90036822-64_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)CC(F)F |
−5.4
± 0.4
|
| 3598 |
KAD-UNI-877d7bed-17_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4OCC(=O)NC5(CCC5)C#N)Cl |
−5.4
± 0.5
|
| 3599 |
MAT-POS-de59a476-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)OCC(=O)NC4CC4 |
−5.4
± 0.3
|
| 3600 |
PET-UNK-9b23ef84-13_2
|
|
CO[C@]1(CN(Cc2c1cc(c(c2)F)Cl)c3ncon3)C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.3
|