Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
4901 |
MAT-POS-5369c344-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCC5CC5)Cl |
−2.3
± 0.1
|
4902 |
JOH-UNI-6fede743-4_1
|
|
c1ccc2c(c1)c[nH]c(=O)c2NC(=O)Cc3cccc(c3)Cl |
−2.3
± 0.4
|
4903 |
ALP-POS-67d5babe-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC[N@@H+]5CC[C@@H]6CS(=O)(=O)C[C@@H]6C5 |
−2.3
± 0.4
|
4904 |
ALF-EVA-07677224-4_9
|
|
C[C@@H]1[C@@H](CCO1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−2.3
± 0.4
|
4905 |
MAT-POS-e6dd326d-3_2
|
|
C[NH+](C)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−2.2
± 0.1
|
4906 |
MAT-POS-8d5af1ef-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O)Nc4c3cc(cc4)Br |
−2.23
± 0.09
|
4907 |
MAK-UNK-c749d764-2_6
|
|
CC[C@H]1CCC[C@@H]([C@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−2.2
± 0.2
|
4908 |
RAL-THA-8416115c-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5cn[nH]n5 |
−2.2
± 0.4
|
4909 |
JOH-UNI-3fc3434e-7_2
|
|
CN(c1cncc2c1cccc2)C(=O)[C@H](CC#N)c3cccc(c3)Cl |
−2.2
± 0.6
|
4910 |
ALP-UNI-3496895b-16_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5ccc(cc5)S(=O)(=O)N |
−2.2
± 0.3
|
4911 |
PET-UNK-0cc03aae-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC#N |
−2.2
± 0.3
|
4912 |
LON-WEI-4d77710c-33_1
|
|
C[C@@H]1c2cc(c(cc2CCN1C(=O)Nc3cn(c(=O)c4c3cccc4)C)OC)OC |
−2.2
± 0.2
|
4913 |
EDJ-MED-fcba3f31-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5=NCCO5 |
−2.2
± 0.4
|
4914 |
ED_-GRI-5b13fbe2-70_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@H]5[NH3+] |
−2.2
± 0.6
|
4915 |
EDJ-MED-15e90dfc-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccccn5 |
−2.2
± 0.2
|
4916 |
DAR-DIA-4987d2cd-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CN(Cc4c3cc(cc4)Cl)c5c(c(=O)c5=O)[O-] |
−2.2
± 0.1
|
4917 |
MAT-POS-4223bc15-15_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CNC5 |
−2.2
± 0.2
|
4918 |
ALP-POS-2da19ca7-8_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CC(=O)N)C5CCOCC5 |
−2.1
± 0.4
|
4919 |
NAU-LAT-30527ac5-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3[nH]cc4)Cl |
−2.1
± 0.5
|
4920 |
ALF-EVA-650655fc-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCC3CC3)c4cc(cc(c4)Cl)O[C@H]5CC(=O)N5 |
−2.1
± 0.1
|
4921 |
MIC-UNK-54748b58-2_3
|
|
CNC(=O)C[N@@]1C[C@](c2cc(ccc2S1(=O)=O)Cl)(C(=O)Nc3cncc4c3cccc4)OC |
−2.1
± 0.6
|
4922 |
ALP-UNI-3496895b-15_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 |
−2.1
± 0.4
|
4923 |
MAK-UNK-c749d764-5_2
|
|
c1ccc2c(c1)cncc2N(CO)C(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−2.0
± 0.2
|
4924 |
ALP-POS-347519b5-2_48
|
|
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 |
−2.0
± 0.5
|
4925 |
MIC-UNK-6e9f8a43-1_1
|
|
CS[C@@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−2.0
± 0.2
|
4926 |
ALP-POS-347519b5-1_4
|
|
CS(=O)(=O)[N@]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−2.0
± 0.1
|
4927 |
EDG-MED-ba1ac7b9-20_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CC(F)F |
−1.99
± 0.09
|
4928 |
ALP-POS-5bb456a5-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)c6n[n-]nn6 |
−2.0
± 0.5
|
4929 |
ALP-UNI-8e43a71e-2_10
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@@H]5CCC[N@H+]6CCO |
−1.94
± 0.09
|
4930 |
MAT-POS-e6dd326d-14_2
|
|
Cn1ccnc1NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−1.9
± 0.4
|
4931 |
EDJ-MED-923a35c2-2_3
|
|
CO[C@@]1(C[N@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−1.9
± 0.2
|
4932 |
MAK-UNK-c749d764-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C4CC4 |
−1.9
± 0.2
|
4933 |
ED_-GRI-5b13fbe2-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCC[NH2+]CCN |
−1.9
± 0.2
|
4934 |
NAU-LAT-30527ac5-4_1
|
|
CC(=O)NCCc1c[nH]c2c1cc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−1.9
± 0.2
|
4935 |
PET-UNK-1320d94d-26_1
|
|
CN([C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCC5 |
−1.9
± 0.5
|
4936 |
MAK-UNK-c749d764-6_3
|
|
C[C@@H](C[NH2+]CCCO)[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−1.9
± 0.2
|
4937 |
MAK-UNK-c749d764-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−1.8
± 0.2
|
4938 |
DAR-DIA-ecdbc7dd-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCNc4c3cc(cc4)Cl)Cn5cnc6c5cccc6 |
−1.8
± 0.3
|
4939 |
MAT-POS-dc2604c4-2_3
|
|
COC1(CCC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−1.8
± 0.7
|
4940 |
MAT-POS-24589f88-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5c(nc6ccccn6c5=O)N7CCOCC7 |
−1.78
± 0.10
|
4941 |
JIN-POS-6dc588a4-18_1
|
|
COc1cccc2c1cncc2NC(=O)Cc3cccc(c3)Cl |
−1.8
± 0.2
|
4942 |
MAT-POS-cc05818f-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C#N |
−1.8
± 0.5
|
4943 |
EDJ-MED-841e0cf0-5_3
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC5 |
−1.8
± 0.2
|
4944 |
EDG-MED-90036822-89_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCC6(C[NH2+]C6)CO5 |
−1.8
± 0.1
|
4945 |
MIC-UNK-06e5f114-4_4
|
|
CS(=O)(=O)[N@]1CC[C@H](C1)[NH2+]Cc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−1.8
± 0.4
|
4946 |
EDG-MED-90036822-92_2
|
|
C[N@@](CCC#N)CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F |
−1.7
± 0.5
|
4947 |
EDJ-MED-4c7486ba-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCC[N@@]5CC(F)(F)F |
−1.7
± 0.5
|
4948 |
MIC-UNK-0a05c952-2_7
|
|
c1ccc2c(c1)cncc2N3[C@@H](CC[C@H](C3=O)c4cccc(c4)Cl)[C@H]5CO5 |
−1.7
± 0.3
|
4949 |
ALP-POS-67d5babe-5_2
|
|
CN(C[C@H]1CCS(=O)(=O)C1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−1.7
± 0.6
|
4950 |
PET-UNK-8c422e11-4_1
|
|
CC(Oc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3)(F)F |
−1.7
± 0.2
|
4951 |
DAR-DIA-4987d2cd-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CN(Cc4c3cc(cc4)Cl)c5c(c(=O)c5=O)[O-] |
−1.7
± 0.2
|
4952 |
KAD-UNI-877d7bed-9_5
|
|
Cn1cc(cn1)C[N@@H+]2C[C@@H]2COc3cc(cc4c3OCC[C@H]4C(=O)Nc5cncc6c5cccc6)Cl |
−1.7
± 0.1
|
4953 |
MAK-UNK-c749d764-5_7
|
|
c1ccc2c(c1)cncc2N(CO)C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F |
−1.7
± 0.2
|
4954 |
DAR-DIA-0587064e-4_1
|
|
COCCOc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−1.7
± 0.2
|
4955 |
EDJ-MED-ee07cf00-4_2
|
|
C[C@H](C(=O)N[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC4 |
−1.64
± 0.09
|
4956 |
MAT-POS-5f1400cf-1_5
|
|
Cn1cc(cn1)N2CC[C@@H](C2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−1.63
± 0.10
|
4957 |
ALP-UNI-3496895b-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCN(C5=O)c6ccn[nH]6 |
−1.6
± 0.4
|
4958 |
EDJ-MED-d1555997-1_1
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3c(ccc4)F)Cl |
−1.6
± 0.5
|
4959 |
ALP-UNI-3496895b-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccn(n5)[C@@H]6CCNC6=O |
−1.6
± 0.3
|
4960 |
ALP-UNI-8e43a71e-6_1
|
|
CCN1CC[NH+](CC1)C2CN(C2)C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−1.6
± 0.1
|
4961 |
MAT-POS-4223bc15-34_3
|
|
Cn1ccnc1[N@@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−1.6
± 0.2
|
4962 |
PET-UNK-9b23ef84-5_2
|
|
CO[C@]1(CN(Cc2c1cc(c(c2)F)Cl)c3nnco3)C(=O)Nc4cncc5c4cccc5 |
−1.6
± 0.4
|
4963 |
PET-UNK-b566c0b0-2_1
|
|
CO[C@]1(CS(=O)(=O)Cc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−1.6
± 0.6
|
4964 |
EDJ-MED-ee07cf00-4_3
|
|
C[C@@H](C(=O)N[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC4 |
−1.55
± 0.08
|
4965 |
MAT-POS-45b13633-5_2
|
|
COC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.6
± 0.1
|
4966 |
RAL-THA-e002e396-3_1
|
|
c1ccc(cc1)S(=O)(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−1.5
± 0.2
|
4967 |
MAT-POS-1f3f1a6f-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)[NH2+]CC4CC4 |
−1.49
± 0.10
|
4968 |
VLA-UNK-5c5a631c-1_1
|
|
c1ccc2c(c1)cncc2N(CC[C@@H](O)S(=O)(=O)[O-])C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−1.5
± 0.2
|
4969 |
ALF-EVA-07677224-5_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)c5cccnn5 |
−1.5
± 0.2
|
4970 |
MAT-POS-d8472c4f-2_2
|
|
COC(=O)[C@H]1CC[C@H](O1)C[NH2+][C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.5
± 0.4
|
4971 |
VLA-MRT-a639d434-1_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−1.4
± 0.5
|
4972 |
EDJ-MED-827e7cb4-6_1
|
|
CC[C@@]1(CNC(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−1.4
± 0.2
|
4973 |
MAK-UNK-c749d764-12_3
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@H]([C@@H]3O)Cl |
−1.4
± 0.2
|
4974 |
MAT-POS-4223bc15-12_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CCC5)C#N |
−1.34
± 0.09
|
4975 |
MAK-UNK-c749d764-15_2
|
|
C[C@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F)OCC4CCCCC4 |
−1.3
± 0.2
|
4976 |
RAL-THA-e002e396-8_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)CCO |
−1.3
± 0.2
|
4977 |
EDJ-MED-ee07cf00-5_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)CNC(=O)c4ccc(cc4)C#N |
−1.31
± 0.08
|
4978 |
ALP-UNI-4b8a177c-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3c(ccc4O)Cl |
−1.31
± 0.10
|
4979 |
MAT-POS-5369c344-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCc5ccccn5)Cl |
−1.30
± 0.08
|
4980 |
VLA-UNK-5c5a631c-1_4
|
|
c1ccc2c(c1)cncc2N(CC[C@H](O)S(=O)(=O)[O-])C(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−1.2
± 0.2
|
4981 |
VLA-UNK-56836b69-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O |
−1.2
± 0.4
|
4982 |
EDG-MED-ba1ac7b9-28_2
|
|
C[N@H+](CCO)C1CCN(CC1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−1.22
± 0.09
|
4983 |
ED_-GRI-5b13fbe2-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCC(=O)[O-] |
−1.2
± 0.1
|
4984 |
MAT-POS-932d1078-1_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCC[N@]5CC(F)(F)F |
−1.17
± 0.10
|
4985 |
MAT-POS-4223bc15-24_4
|
|
CN(C)C(=O)C[N@H+]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−1.17
± 0.08
|
4986 |
EDG-MED-ba1ac7b9-15_2
|
|
C[C@H]1C[N@@H+](CCN1C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−1.15
± 0.10
|
4987 |
VLA-UNK-f702bf1c-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6ccn[nH]6 |
−1.1
± 0.4
|
4988 |
ED_-GRI-5b13fbe2-33_1
|
|
CN(C)CC[NH2+]CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−1.1
± 0.7
|
4989 |
RUB-POS-1325a9ea-3_1
|
|
Cc1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl |
−1.1
± 0.1
|
4990 |
MAT-POS-932d1078-1_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COCC[N@]5CC(F)(F)F |
−1.09
± 0.09
|
4991 |
PET-UNK-1320d94d-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)NC(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCOCC5 |
−1.1
± 0.3
|
4992 |
DAR-DIA-0587064e-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OCC4CC4 |
−1.0
± 0.2
|
4993 |
EDG-MED-ba1ac7b9-15_6
|
|
C[C@H]1C[N@@H+](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−0.98
± 0.09
|
4994 |
MAT-POS-4223bc15-22_4
|
|
COC(=O)C[N@H+]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−0.94
± 0.10
|
4995 |
MIC-UNK-5a93dd5f-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCC[C@@H]5C4 |
−0.9
± 0.1
|
4996 |
EDJ-MED-ee07cf00-2_1
|
|
Cc1c(c(=O)n2c(n1)cc[nH]2)CC(=O)N[C@@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−0.9
± 0.2
|
4997 |
EDG-MED-90036822-19_2
|
|
Cn1ccnc1[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−0.8
± 0.2
|
4998 |
MAT-POS-24589f88-11_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@H](O5)C(=O)N6CCCC6 |
−0.83
± 0.10
|
4999 |
ALP-POS-5bb456a5-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@@H]6CCOC6 |
−0.83
± 0.10
|
5000 |
EDJ-MED-ce467fd5-3_1
|
|
CNC(=O)CN1C[C@@](c2cc(ccc2C1=O)Cl)(C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C)OC |
−0.8
± 0.4
|