| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 701 |
MIC-UNK-5a93dd5f-3_14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@@H+]4CC[C@H]5CCCC[C@H]5C4 |
0.5
± 0.2
|
| 702 |
MIC-UNK-5a93dd5f-3_10
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@@H+]4CC[C@@H]5CCCC[C@H]5C4 |
0.6
± 0.2
|
| 703 |
MIC-UNK-5a93dd5f-8_1
|
|
C[NH+](C)C1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
0.8
± 0.2
|
| 704 |
MIC-UNK-5a93dd5f-7_3
|
|
CC(=O)N(C)[C@@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
0.9
± 0.1
|
| 705 |
JOH-UNI-ee5ed7c8-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](CC#N)c3cccc(c3)Cl |
1.0
± 0.1
|
| 706 |
MAT-POS-d8472c4f-2_1
|
|
COC(=O)[C@H]1CC[C@H](O1)C[NH2+][C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.05
± 0.09
|
| 707 |
MIC-UNK-5a93dd5f-1_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@@H]5CCC[C@H]5C4 |
1.1
± 0.1
|
| 708 |
MIC-UNK-5a93dd5f-6_1
|
|
CC(=O)N(C)C1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.3
± 0.2
|
| 709 |
MIC-UNK-5a93dd5f-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCCC[C@@H]5C4 |
1.3
± 0.1
|
| 710 |
MIC-UNK-5a93dd5f-7_2
|
|
CC(=O)N(C)[C@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.6
± 0.2
|
| 711 |
MIC-UNK-5a93dd5f-3_12
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@H+]4CC[C@@H]5CCCC[C@H]5C4 |
1.7
± 0.2
|
| 712 |
MAK-UNK-ffc90da7-4_4
|
|
C[C@H](C[NH2+]C[C@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.7
± 0.2
|
| 713 |
MIC-UNK-5a93dd5f-4_1
|
|
CC(=O)NC1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.8
± 0.2
|
| 714 |
MAK-UNK-c749d764-6_2
|
|
C[C@H](C[NH2+]CCCO)[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
1.8
± 0.2
|
| 715 |
MIC-UNK-5a93dd5f-9_2
|
|
CN(C)[C@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.8
± 0.2
|
| 716 |
MIC-UNK-5a93dd5f-7_1
|
|
CC(=O)N(C)[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.9
± 0.1
|
| 717 |
MIC-UNK-5a93dd5f-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCC[C@@H]5C4 |
2.0
± 0.2
|
| 718 |
NIR-THE-590dedc7-1_1
|
|
CC(=O)N1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
2.0
± 0.1
|
| 719 |
MIC-UNK-5a93dd5f-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCCC[C@H]5C4 |
2.1
± 0.2
|
| 720 |
MIC-UNK-5a93dd5f-7_4
|
|
CC(=O)N(C)[C@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
2.1
± 0.2
|
| 721 |
MIC-UNK-5a93dd5f-5_2
|
|
CC(=O)N[C@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
2.4
± 0.2
|
| 722 |
MIC-UNK-5a93dd5f-9_1
|
|
CN(C)[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
2.5
± 0.1
|
| 723 |
MAK-UNK-c749d764-22_2
|
|
C[C@H](C[NH2+]C[C@@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
2.5
± 0.2
|
| 724 |
MIC-UNK-6ab519a7-1_1
|
|
CC(=O)N1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
2.7
± 0.2
|
| 725 |
MIC-UNK-5a93dd5f-2_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@@H]5CCCC[C@H]5C4 |
3.1
± 0.2
|
| 726 |
MIC-UNK-5a93dd5f-10_1
|
|
CC(=O)N1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
3.4
± 0.2
|
| 727 |
MAK-UNK-c749d764-22_4
|
|
C[C@H](C[NH2+]C[C@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
3.5
± 0.3
|
| 728 |
MIC-UNK-5a93dd5f-5_4
|
|
CC(=O)N[C@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
3.8
± 0.2
|
| 729 |
MAK-UNK-ffc90da7-4_2
|
|
C[C@H](C[NH2+]C[C@@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
3.9
± 0.2
|
| 730 |
MIC-UNK-5a93dd5f-5_1
|
|
CC(=O)N[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
4.0
± 0.2
|
| 731 |
MIC-UNK-5a93dd5f-11_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4CCC(CC4)[NH+]5CCCCC5 |
4.0
± 0.2
|
| 732 |
MIC-UNK-5a93dd5f-5_3
|
|
CC(=O)N[C@@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
4.6
± 0.2
|