| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 701 |
PET-UNK-bbe8d7ff-2_1
|
|
Cc1ccncc1N(CC#N)C(=O)Cc2cccc(c2)Cl |
−2.9
± 0.2
|
| 702 |
JAN-GHE-83b26c96-16_1
|
|
CCCN(c1cccnc1)C(=O)Cc2cccc(c2)Cl |
−2.7
± 0.1
|
| 703 |
RUB-POS-1325a9ea-6_2
|
|
c1ccc2c(c1)C[NH2+]C[C@H]2NC(=O)Cc3cccc(c3)Cl |
−2.7
± 0.3
|
| 704 |
MAK-UNK-ffc90da7-4_3
|
|
C[C@@H](C[NH2+]C[C@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.5
± 0.2
|
| 705 |
EDJ-MED-6e43a462-7_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2c[nH+]c3n2nccc3 |
−2.5
± 0.2
|
| 706 |
MIC-UNK-5a93dd5f-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCC[C@@H]5C4 |
−2.5
± 0.2
|
| 707 |
MAK-UNK-f203cb68-5_1
|
|
Cc1ccncc1NC(=O)[C@@H](C)c2cccc(c2c3ccncc3NC(=O)C)Cl |
−2.5
± 0.3
|
| 708 |
MIC-UNK-5a93dd5f-4_1
|
|
CC(=O)NC1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.5
± 0.2
|
| 709 |
MAK-UNK-ffc90da7-4_4
|
|
C[C@H](C[NH2+]C[C@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.5
± 0.3
|
| 710 |
MIC-UNK-5a93dd5f-7_3
|
|
CC(=O)N(C)[C@@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.4
± 0.2
|
| 711 |
MAK-UNK-f203cb68-2_2
|
|
C[C@H](c1cccc(c1)Cl)C(=O)Nc2cnccc2Cc3ccncc3NC(=O)C |
−2.4
± 0.2
|
| 712 |
MAK-UNK-ffc90da7-4_1
|
|
C[C@@H](C[NH2+]C[C@@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.4
± 0.3
|
| 713 |
JOH-UNI-6fede743-2_1
|
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)C(F)F |
−2.3
± 0.2
|
| 714 |
MAK-UNK-ffc90da7-1_1
|
|
C[C@@H](C[NH2+]CCCO)[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−2.3
± 0.2
|
| 715 |
NAU-LAT-a5c7d7cb-13_2
|
|
c1ccc2c(c1)[C@H](C(=O)N2)NC(=O)Cc3cccc(c3)Cl |
−2.2
± 0.1
|
| 716 |
MAK-UNK-f203cb68-11_1
|
|
Cc1ccnc(c1NC(=O)[C@@H](C)c2cccc(c2)Cl)c3ccncc3NC(=O)C |
−2.1
± 0.2
|
| 717 |
MIC-UNK-8373f97b-5_8
|
|
c1cc(cc(c1)Cl)CC(=O)N[C@H]2[C@H]3CCC[C@H]3NC2=O |
−2.1
± 0.1
|
| 718 |
BEN-DND-02317c5c-9_1
|
|
c1ccn2c(c1)c[nH+]c2NC(=O)Cc3cccc(c3)Cl |
−2.1
± 0.1
|
| 719 |
MAK-UNK-f203cb68-13_2
|
|
Cc1c(cncc1NC(=O)[C@H](C)c2cccc(c2)Cl)c3ccncc3NC(=O)C |
−2.0
± 0.3
|
| 720 |
ALP-UNI-44c99a80-4_1
|
|
c1ccc2c(c1)cncc2N(Cc3cnco3)C(=O)Cc4cccc(c4)Cl |
−2.0
± 0.2
|
| 721 |
EDJ-MED-c8e7a002-11_1
|
|
c1ccc2c(c1)c(n[nH]2)NC(=O)Cc3cccc(c3)Cl |
−2.0
± 0.1
|
| 722 |
EDJ-MED-b24713dc-3_1
|
|
Cc1ccc2[nH+]cc(n2c1)NC(=O)Cc3cccc(c3)Cl |
−2.0
± 0.2
|
| 723 |
ADA-UCB-6c2cb422-10_1
|
|
COc1ccccc1C[NH2+][C@@H](c2cccc(c2)Cl)C(=O)Nc3cc(=O)[nH]c4c3cccc4 |
−1.9
± 0.2
|
| 724 |
MAT-POS-d8472c4f-2_1
|
|
COC(=O)[C@H]1CC[C@H](O1)C[NH2+][C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.88
± 0.09
|
| 725 |
EDJ-MED-6e43a462-3_1
|
|
COc1cccc2n1c(c[nH+]2)NC(=O)Cc3cccc(c3)Cl |
−1.9
± 0.2
|
| 726 |
JOH-UNI-ee5ed7c8-10_1
|
|
CN(c1c2ccccc2cnc1CC(F)(F)F)C(=O)Cc3cccc(c3)Cl |
−1.8
± 0.2
|
| 727 |
NAU-LAT-a5c7d7cb-10_1
|
|
c1ccc2c(c1)c(n[nH]2)NC(=O)Cc3cccc(c3)Cl |
−1.8
± 0.1
|
| 728 |
JIN-POS-6dc588a4-5_1
|
|
c1ccc2c(c1)c(c[nH]2)NC(=O)Cc3cccc(c3)Cl |
−1.8
± 0.1
|
| 729 |
EDJ-MED-c8e7a002-10_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2c3ccc(cc3[nH]n2)F |
−1.8
± 0.1
|
| 730 |
MIC-UNK-5a93dd5f-9_4
|
|
CN(C)[C@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.6
± 0.2
|
| 731 |
BAR-COM-ebf5acce-9_1
|
|
Cc1ccncc1N(C[C@@]2(C[C@@]2(C)[NH3+])C)C(=O)Cc3cccc(c3)Cl |
−1.6
± 0.2
|
| 732 |
EDJ-MED-50fe53e8-4_1
|
|
c1ccn2c(c1)c[nH+]c2NC(=O)Cc3cccc(c3)Cl |
−1.6
± 0.1
|
| 733 |
JOH-UNI-3fc3434e-7_1
|
|
CN(c1cncc2c1cccc2)C(=O)[C@@H](CC#N)c3cccc(c3)Cl |
−1.6
± 0.2
|
| 734 |
MIC-UNK-5a93dd5f-9_3
|
|
CN(C)[C@@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.6
± 0.2
|
| 735 |
MAK-UNK-f203cb68-21_1
|
|
Cc1ccncc1NC(=O)c2cc(c(cn2)NC(=O)[C@@H](C)c3cccc(c3)Cl)C |
−1.5
± 0.2
|
| 736 |
MAK-UNK-f203cb68-9_2
|
|
Cc1ccncc1NC(=O)[C@](C)(c2cccc(c2)Cl)c3ccncc3NC(=O)C |
−1.4
± 0.2
|
| 737 |
MAK-UNK-ffc90da7-1_2
|
|
C[C@H](C[NH2+]CCCO)[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−1.3
± 0.2
|
| 738 |
MAK-UNK-ffc90da7-4_2
|
|
C[C@H](C[NH2+]C[C@@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.3
± 0.2
|
| 739 |
RIT-UNK-fa3975ff-1_1
|
|
COc1ccnc(c1)NC(=O)[C@@H](C#N)c2cccc(c2)Cl |
−1.3
± 0.2
|
| 740 |
MAK-UNK-ffc90da7-7_1
|
|
CC(C)OC[C@@H]([C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)[NH2+]C |
−1.2
± 0.5
|
| 741 |
MAK-UNK-c749d764-6_1
|
|
C[C@@H](C[NH2+]CCCO)[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−1.1
± 0.2
|
| 742 |
MIC-UNK-5a93dd5f-6_1
|
|
CC(=O)N(C)C1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.1
± 0.2
|
| 743 |
MIC-UNK-5a93dd5f-5_1
|
|
CC(=O)N[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.1
± 0.2
|
| 744 |
MIC-UNK-5a93dd5f-5_4
|
|
CC(=O)N[C@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−0.9
± 0.2
|
| 745 |
EDJ-MED-b24713dc-2_1
|
|
Cc1cccc2n1c(c[nH+]2)NC(=O)Cc3cccc(c3)Cl |
−0.9
± 0.2
|
| 746 |
MIC-UNK-5a93dd5f-7_1
|
|
CC(=O)N(C)[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−0.6
± 0.2
|
| 747 |
BAR-COM-ebf5acce-6_1
|
|
Cc1ccncc1N(C[C@@H](C(C)(C)O)[NH3+])C(=O)Cc2cccc(c2)Cl |
−0.4
± 0.2
|
| 748 |
MIC-UNK-5a93dd5f-8_1
|
|
C[NH+](C)C1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−0.0
± 0.2
|
| 749 |
MIC-UNK-5a93dd5f-5_2
|
|
CC(=O)N[C@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−0.0
± 0.2
|
| 750 |
MIC-UNK-5a93dd5f-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[NH+]4CCC(CC4)[NH+]5CCCCC5 |
0.1
± 0.2
|
| 751 |
MIC-UNK-5a93dd5f-7_4
|
|
CC(=O)N(C)[C@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
0.3
± 0.2
|
| 752 |
NAU-LAT-a5c7d7cb-2_1
|
|
CC(=O)N1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
0.5
± 0.2
|
| 753 |
NIR-THE-590dedc7-1_1
|
|
CC(=O)N1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
0.8
± 0.2
|
| 754 |
JOH-UNI-ee5ed7c8-7_1
|
|
CN(c1cncc2c1cccc2)C(=O)[C@@H](CC#N)c3cccc(c3)Cl |
0.8
± 0.2
|
| 755 |
MIC-UNK-5a93dd5f-9_2
|
|
CN(C)[C@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.1
± 0.2
|
| 756 |
MIC-UNK-6ab519a7-1_1
|
|
CC(=O)N1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.2
± 0.2
|
| 757 |
MAK-UNK-c749d764-22_4
|
|
C[C@H](C[NH2+]C[C@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.2
± 0.3
|
| 758 |
MIC-UNK-5a93dd5f-2_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@@H]5CCCC[C@H]5C4 |
1.4
± 0.2
|
| 759 |
MIC-UNK-5a93dd5f-10_1
|
|
CC(=O)N1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
1.7
± 0.2
|
| 760 |
MIC-UNK-5a93dd5f-11_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4CCC(CC4)[NH+]5CCCCC5 |
2.5
± 0.3
|
| 761 |
MAK-UNK-ffc90da7-7_2
|
|
CC(C)OC[C@H]([C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)[NH2+]C |
2.8
± 0.5
|
| 762 |
MIC-UNK-5a93dd5f-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCCC[C@@H]5C4 |
3.1
± 0.2
|
| 763 |
MIC-UNK-5a93dd5f-9_1
|
|
CN(C)[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
4.4
± 0.2
|