| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 4601 |
DAR-DIA-6a508060-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)C#N |
−3.8
± 0.3
|
| 4602 |
BEN-DND-a02b439d-13_1
|
|
CO[C@]1(C[NH2+]Cc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.8
± 0.2
|
| 4603 |
PET-UNK-1320d94d-21_1
|
|
CN(C)C(=O)[C@H]1CC[C@H](O1)C(=O)N(C)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.8
± 0.3
|
| 4604 |
MIC-UNK-54748b58-2_4
|
|
CNC(=O)C[N@]1C[C@](c2cc(ccc2S1(=O)=O)Cl)(C(=O)Nc3cncc4c3cccc4)OC |
−3.8
± 0.3
|
| 4605 |
MAT-POS-e6dd326d-7_1
|
|
CCOC(=O)NC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.8
± 0.6
|
| 4606 |
ALP-POS-93b3621f-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC(F)(F)F |
−3.8
± 0.4
|
| 4607 |
ALF-EVA-07677224-3_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)C(C#N)(F)F |
−3.8
± 0.5
|
| 4608 |
RAL-THA-05e671eb-26_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3ncc(c4)Cl |
−3.7
± 0.3
|
| 4609 |
ALF-EVA-82cf4849-11_2
|
|
CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)OC(F)F |
−3.7
± 0.3
|
| 4610 |
MIC-UNK-d854bf4c-5_2
|
|
CS(=O)(=O)N1CCC2(CC1)CN(C(=O)[C@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−3.7
± 0.1
|
| 4611 |
ALF-EVA-ced740bd-1_1
|
|
COc1c(ccc2c1c(cnc2)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)Cl |
−3.7
± 0.2
|
| 4612 |
MIC-UNK-ea4eb352-6_3
|
|
CO[C@@]1(C[N@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−3.7
± 0.3
|
| 4613 |
CHO-MSK-5891c1ff-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@@H]5CCS(=O)(=O)C5 |
−3.7
± 0.5
|
| 4614 |
MIC-UNK-d854bf4c-4_2
|
|
CC(=O)N1CCC2(CC1)CCN(C(=O)[C@H]2c3ccc(c(c3)Cl)Cl)c4cncc5c4cccc5 |
−3.7
± 0.1
|
| 4615 |
MAT-POS-fce787c2-5_2
|
|
C[NH2+][C@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−3.73
± 0.10
|
| 4616 |
ALP-UNI-76695c4f-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@@H]6C5 |
−3.7
± 0.6
|
| 4617 |
PET-UNK-2c6614b6-5_1
|
|
c1cc2c(cc1F)cncc2NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(cc4)Cl |
−3.7
± 0.4
|
| 4618 |
MAK-UNK-c749d764-16_2
|
|
C[C@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F)O |
−3.7
± 0.2
|
| 4619 |
MIC-UNK-37660950-4_4
|
|
CS(=O)(=O)[N@]1CC[C@H](C1)CNc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−3.7
± 0.2
|
| 4620 |
ALP-UNI-dbbfd3db-15_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCC5 |
−3.7
± 0.3
|
| 4621 |
ALP-UNI-8e43a71e-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@@H]5CCC[N@@H+]6CCO |
−3.70
± 0.10
|
| 4622 |
DAR-DIA-4987d2cd-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CN(Cc4c3cc(cc4)Cl)c5c(c(=O)c5=O)N |
−3.7
± 0.3
|
| 4623 |
PET-UNK-1e13ef09-1_1
|
|
c1cc2c(cc1F)cncc2NC(=O)[C@@H]3CS(=O)(=O)Cc4c3cc(cc4)Cl |
−3.7
± 0.3
|
| 4624 |
VLA-UCB-1dbca3b4-14_1
|
|
C[C@@]1(c2cc(ccc2OCC1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.7
± 0.6
|
| 4625 |
EDG-MED-90036822-94_13
|
|
C[C@@H]1C[C@@H]1[C@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−3.7
± 0.3
|
| 4626 |
LON-WEI-5e7d1b3e-20_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3c[nH]c4c3cccc4 |
−3.7
± 0.4
|
| 4627 |
ALP-UNI-8e43a71e-5_5
|
|
C[C@@H]1C[N@@](CC[C@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−3.7
± 0.6
|
| 4628 |
NIR-WEI-f9286bb6-1_1
|
|
CNC(=O)[C@@H](c1cncc2c1cccc2)N(Cc3ccccc3Cl)C(=O)C=C |
−3.67
± 0.08
|
| 4629 |
MAK-UNK-3875bbc8-2_1
|
|
CN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−3.7
± 0.2
|
| 4630 |
PET-UNK-03fd2068-9_1
|
|
CO[C@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3ccc(c4)F |
−3.7
± 0.3
|
| 4631 |
ED_-GRI-5b13fbe2-50_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@]5(C#N)C(=O)[O-] |
−3.7
± 0.4
|
| 4632 |
RAL-THA-1d44ff04-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4ccc[nH]c4=O |
−3.7
± 0.3
|
| 4633 |
ALP-UNI-8e43a71e-15_9
|
|
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 |
−3.7
± 0.3
|
| 4634 |
RAL-THA-e002e396-11_1
|
|
COC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.7
± 0.3
|
| 4635 |
MAT-POS-e9e99895-8_1
|
|
Cc1nc2n(n1)C[C@@H](CC2)C(=O)N[C@@](C)(c3ccc(c(c3)Cl)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.65
± 0.09
|
| 4636 |
EDG-MED-ba1ac7b9-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]5C(=O)N |
−3.6
± 0.3
|
| 4637 |
EDG-MED-ba1ac7b9-27_4
|
|
C[C@H]1C[N@H+](CCN1C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO |
−3.64
± 0.09
|
| 4638 |
PET-UNK-d61f3ea6-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@@]5CCC(C5)(F)F |
−3.6
± 0.2
|
| 4639 |
MAT-POS-a3f7f96a-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cnn(c5)[C@@H]6CCS(=O)(=O)C6 |
−3.6
± 0.3
|
| 4640 |
ALF-EVA-07677224-4_2
|
|
C[C@H]1[C@@H](CCO1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−3.6
± 0.4
|
| 4641 |
ALF-EVA-07677224-4_5
|
|
C[C@@H]1[C@@H](CCO1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−3.6
± 0.4
|
| 4642 |
MAT-POS-4223bc15-6_3
|
|
CCS(=O)(=O)[N@@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−3.62
± 0.10
|
| 4643 |
MAK-UNK-c749d764-16_5
|
|
C[C@@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@@H]3O)C(F)F)O |
−3.6
± 0.4
|
| 4644 |
EDG-MED-90036822-33_2
|
|
CO[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F |
−3.6
± 0.5
|
| 4645 |
LEE-CAM-7ab9b158-1_4
|
|
C[NH+](C)[C@H]1COC[C@H]1OC[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.6
± 0.3
|
| 4646 |
MAT-POS-1f3f1a6f-3_1
|
|
CC(=O)N[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−3.60
± 0.10
|
| 4647 |
EDG-MED-ba1ac7b9-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@@H]5c6[nH]ncn6 |
−3.60
± 0.10
|
| 4648 |
MAK-UNK-c749d764-25_7
|
|
COC(=O)N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F |
−3.6
± 0.4
|
| 4649 |
MAT-POS-dc2604c4-2_1
|
|
COC1(CCC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−3.6
± 0.3
|
| 4650 |
PET-UNK-9b23ef84-11_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)c5ncno5 |
−3.6
± 0.3
|
| 4651 |
CHO-MSK-5891c1ff-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CC5 |
−3.6
± 0.6
|
| 4652 |
PET-UNK-b78139fa-7_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CS(=O)(=O)c4c3cc(cc4)Cl |
−3.6
± 0.5
|
| 4653 |
MIC-UNK-460e637d-3_2
|
|
C[N@H+]1CCN(C[C@@H]1COc2cccnc2)C(=O)Cc3cncc4c3cccc4 |
−3.6
± 0.4
|
| 4654 |
MAK-UNK-c749d764-22_8
|
|
C[C@H](C[NH2+]C[C@H]1CCCO1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.6
± 0.2
|
| 4655 |
LON-WEI-5e7d1b3e-13_2
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC[C@H]3CCCO3 |
−3.6
± 0.4
|
| 4656 |
PET-UNK-1b92fa34-8_1
|
|
CO[C@]1(CS(=O)(=O)Cc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cc(cc4)F |
−3.6
± 0.4
|
| 4657 |
RAL-THA-05e671eb-12_2
|
|
Cc1ccc2c(c1)OCC[C@H]2C(=O)Nc3cncc4c3cccc4 |
−3.6
± 0.5
|
| 4658 |
EDG-MED-90036822-94_8
|
|
C[C@H]1C[C@H]1[C@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−3.6
± 0.6
|
| 4659 |
ALP-UNI-0676e700-17_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)c6n[n-]nn6 |
−3.6
± 0.3
|
| 4660 |
ALP-UNI-3496895b-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CCC#N |
−3.6
± 0.3
|
| 4661 |
MIC-UNK-5a93dd5f-1_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@@H]5CCC[C@H]5C4 |
−3.6
± 0.2
|
| 4662 |
ALP-UNI-8e43a71e-5_13
|
|
C[C@@H]1C[N@@](CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−3.6
± 0.2
|
| 4663 |
ALF-EVA-82cf4849-13_1
|
|
CO[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)C5COC5 |
−3.6
± 0.4
|
| 4664 |
ALP-UNI-76695c4f-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6CS(=O)(=O)C[C@@H]6C5 |
−3.6
± 0.7
|
| 4665 |
JOH-UNI-50ce7ec3-1_1
|
|
C=CS(=O)(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl |
−3.6
± 0.6
|
| 4666 |
DAR-DIA-b4e9dd8d-5_1
|
|
COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CNc4c3cc(cc4)Cl |
−3.6
± 0.1
|
| 4667 |
ALF-EVA-07677224-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)c5[nH]ncn5 |
−3.6
± 0.3
|
| 4668 |
DAR-DIA-ecdbc7dd-7_2
|
|
CN1CC[NH+](CC1)C[C@]2(CCNc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.5
± 0.2
|
| 4669 |
MAT-POS-4223bc15-13_13
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CC[C@H]5O |
−3.5
± 0.3
|
| 4670 |
ALP-UNI-8e43a71e-15_26
|
|
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 |
−3.5
± 0.3
|
| 4671 |
ALF-EVA-b701bd13-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CNc4c3cc(c(c4)Cl)Cl |
−3.5
± 0.4
|
| 4672 |
EDG-MED-ba1ac7b9-27_2
|
|
C[C@H]1C[N@@H+](CCN1C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO |
−3.54
± 0.09
|
| 4673 |
PET-UNK-d61f3ea6-4_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@]5CCC(C5)(F)F |
−3.5
± 0.4
|
| 4674 |
MAK-UNK-c749d764-8_6
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCC[C@@H]([C@H]3O)C(F)F |
−3.5
± 0.3
|
| 4675 |
RAL-THA-e002e396-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)c5ccccn5 |
−3.5
± 0.2
|
| 4676 |
EDJ-MED-923a35c2-2_1
|
|
CO[C@@]1(C[N@@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−3.5
± 0.3
|
| 4677 |
ALP-POS-e4f7337d-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)[NH2+]C[C@H]5CC[C@H](O5)C(=O)N6CCCC6 |
−3.5
± 0.2
|
| 4678 |
ALP-POS-347519b5-2_39
|
|
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 |
−3.5
± 0.1
|
| 4679 |
ALP-POS-67d5babe-1_9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC[N@@H+]5CC[C@@H]6CS(=O)(=O)C[C@H]6C5 |
−3.5
± 0.4
|
| 4680 |
EDG-MED-ba1ac7b9-23_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5C[N@@]6CC(F)F |
−3.51
± 0.08
|
| 4681 |
MAT-POS-64942dd0-1_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3C[N@@](Cc4c3cc(c(c4)F)Cl)S(=O)(=O)C |
−3.5
± 0.3
|
| 4682 |
PET-UNK-1320d94d-25_1
|
|
CN([C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCC5 |
−3.5
± 0.4
|
| 4683 |
ALP-POS-5bb456a5-7_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@H]6CCOC6 |
−3.51
± 0.10
|
| 4684 |
EDG-MED-ba1ac7b9-12_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5c6n[n-]nn6 |
−3.50
± 0.10
|
| 4685 |
EDG-MED-90036822-94_16
|
|
C[C@H]1C[C@H]1[C@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−3.5
± 0.5
|
| 4686 |
VLA-MRT-a639d434-2_2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−3.5
± 0.3
|
| 4687 |
PET-UNK-1320d94d-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@@H]4C[C@@H](O4)C(=O)N5CCCC5 |
−3.5
± 0.5
|
| 4688 |
BEN-DND-d6f8d3c6-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNS(=O)(=O)c4c3cc(cc4)Cl |
−3.5
± 0.3
|
| 4689 |
DAR-DIA-0587064e-23_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4OCc5ccccc5Cl)Cl |
−3.47
± 0.10
|
| 4690 |
ALP-POS-347519b5-1_31
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−3.5
± 0.3
|
| 4691 |
EDJ-MED-923a35c2-1_2
|
|
CO[C@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−3.5
± 0.3
|
| 4692 |
DAR-DIA-6a508060-4_1
|
|
COc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−3.5
± 0.3
|
| 4693 |
RUB-POS-1325a9ea-9_1
|
|
COc1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl |
−3.5
± 0.1
|
| 4694 |
EDG-MED-90036822-37_4
|
|
C[C@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O |
−3.5
± 0.5
|
| 4695 |
MAT-POS-5f1400cf-1_8
|
|
Cn1cc(cn1)N2CC[C@H](C2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−3.45
± 0.10
|
| 4696 |
DAR-DIA-4987d2cd-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4CN3c5c(c(=O)c5=O)N)Cl |
−3.4
± 0.2
|
| 4697 |
VLA-MRT-8c78ee15-3_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−3.4
± 0.4
|
| 4698 |
PET-UNK-d61f3ea6-3_2
|
|
CC(C)(C#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−3.4
± 0.3
|
| 4699 |
PET-UNK-6314f867-3_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)C#N |
−3.4
± 0.5
|
| 4700 |
ALP-UNI-0676e700-3_1
|
|
Cc1cc(no1)NC(=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.4
± 0.3
|