| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 3901 |
MAT-POS-5f1400cf-2_3
|
|
CN(CCO)c1ccc(cn1)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.07
± 0.09
|
| 3902 |
DAR-DIA-0587064e-18_2
|
|
c1ccc(cc1)COc2cc(cc3c2NCC[C@H]3C(=O)Nc4cncc5c4cccc5)Cl |
−5.1
± 0.2
|
| 3903 |
MIC-UNK-0a05c952-2_5
|
|
c1ccc2c(c1)cncc2N3[C@@H](CC[C@@H](C3=O)c4cccc(c4)Cl)[C@H]5CO5 |
−5.1
± 0.1
|
| 3904 |
MIC-UNK-0a05c952-2_2
|
|
c1ccc2c(c1)cncc2N3[C@H](CC[C@@H](C3=O)c4cccc(c4)Cl)[C@@H]5CO5 |
−5.1
± 0.3
|
| 3905 |
PET-UNK-9b23ef84-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(c(c4)F)Cl)c5ncon5 |
−5.1
± 0.2
|
| 3906 |
RAL-THA-05e671eb-13_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3ccc(c4)F |
−5.1
± 0.6
|
| 3907 |
EDG-MED-90036822-84_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C#N)(F)F |
−5.1
± 0.7
|
| 3908 |
DAR-DIA-0587064e-17_2
|
|
COCCOc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−5.07
± 0.08
|
| 3909 |
RAL-THA-b9d6aec1-2_2
|
|
CNS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−5.1
± 0.2
|
| 3910 |
MAT-POS-4223bc15-9_15
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CCC[C@H]5O |
−5.1
± 0.5
|
| 3911 |
ALP-UNI-dbbfd3db-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)c6ccnn6cn5 |
−5.1
± 0.3
|
| 3912 |
DAR-DIA-ecdbc7dd-19_2
|
|
CC(=O)N1CC[NH+](CC1)C[C@]2(CCNc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.1
± 0.2
|
| 3913 |
EDJ-MED-7587a9ee-2_1
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@]3(C1)CCCN(C3=O)c4cncc5c4cccc5)Cl |
−5.1
± 0.3
|
| 3914 |
RAL-THA-8416115c-9_1
|
|
CN(C)C(=O)CN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.06
± 0.09
|
| 3915 |
DAR-DIA-0f7b7cd9-7_1
|
|
c1ccc2c(c1)cncc2n3cc(n(c3=O)c4cccc(c4)Cl)[O-] |
−5.1
± 0.3
|
| 3916 |
FRA-DIA-c7e803f4-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3COc4c3cccc4Cl |
−5.06
± 0.10
|
| 3917 |
EDJ-MED-c82a5324-2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@H+](Cc4c3cc(cc4)Cl)CC(=O)NC5COC5 |
−5.1
± 0.3
|
| 3918 |
RAL-THA-05e671eb-26_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3ncc(c4)Cl |
−5.1
± 0.5
|
| 3919 |
EDG-MED-ba1ac7b9-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]5C(=O)N |
−5.1
± 0.3
|
| 3920 |
MAT-POS-a3f7f96a-6_2
|
|
C[C@]1(CCS(=O)(=O)C1)n2cc(cn2)C[NH2+]C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.1
± 0.2
|
| 3921 |
EDJ-MED-d203f206-43_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)O |
−5.1
± 0.3
|
| 3922 |
RAL-THA-05e671eb-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)F |
−5.1
± 0.4
|
| 3923 |
EDJ-MED-d203f206-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ccncn5 |
−5.1
± 0.4
|
| 3924 |
EDJ-MED-139368ae-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cccc4)S(=O)(=O)N5CCC5 |
−5.1
± 0.3
|
| 3925 |
DAR-DIA-4987d2cd-2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)c5c(c(=O)c5=O)[O-] |
−5.1
± 0.3
|
| 3926 |
ERI-UCB-b3e6b0c2-8_1
|
|
COCCOc1ccc2cncc(c2c1)NC(=O)[C@@H]3CNc4c3cc(cc4)Cl |
−5.05
± 0.09
|
| 3927 |
MIC-UNK-06e5f114-3_2
|
|
CS(=O)(=O)[N@]1CCC[C@@H](C1)[NH2+]Cc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−5.0
± 0.4
|
| 3928 |
PET-UNK-4b4f2bb7-6_1
|
|
CO[C@]1(CCS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F |
−5.0
± 0.2
|
| 3929 |
DAR-DIA-f6ee7aeb-3_4
|
|
CCCOc1cc(cc(c1)Cl)[C@H]2CC(=O)N(C[C@H]2c3ccccc3C#N)c4cncc5c4cccc5 |
−5.0
± 0.3
|
| 3930 |
ALP-UNI-8e43a71e-15_3
|
|
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 |
−5.0
± 0.3
|
| 3931 |
MAT-POS-24589f88-14_3
|
|
C[N@@H+]1CCN(C(=O)[C@H]1c2cccc(c2)Cl)c3cncc4c3cccc4 |
−5.04
± 0.09
|
| 3932 |
MAK-UNK-c749d764-21_4
|
|
CCCCN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@@H]3O)C(F)F |
−5.0
± 0.2
|
| 3933 |
JOH-UNI-ea72002d-3_1
|
|
c1ccc2c(c1)cncc2[C@@H](C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)N5C(=O)C=CC5=O |
−5.0
± 0.3
|
| 3934 |
EDJ-MED-1b5395f9-6_1
|
|
CS(=O)(=O)[N@@]1Cc2cc(c(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)Cl |
−5.0
± 0.3
|
| 3935 |
ALP-POS-67d5babe-1_15
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC[N@H+]5CC[C@H]6CS(=O)(=O)C[C@H]6C5 |
−5.0
± 0.4
|
| 3936 |
ALP-POS-ce760d3f-8_1
|
|
c1ccc2c(c1)cncc2N3CCC[C@@H](C3=O)c4ccc(cc4)Cl |
−5.03
± 0.08
|
| 3937 |
ALP-UNI-ba800595-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4Cl)Cl |
−5.0
± 0.3
|
| 3938 |
EDG-MED-ba1ac7b9-22_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5Cc6c(nc[nH]6)C[C@H]5C(=O)N |
−5.03
± 0.09
|
| 3939 |
MAT-POS-4223bc15-13_16
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CC[C@H]5O |
−5.0
± 0.5
|
| 3940 |
KAD-UNI-80f122c8-3_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@@H]6C5 |
−5.03
± 0.10
|
| 3941 |
MAT-POS-993cdc78-2_1
|
|
CO[C@]1(CCOc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.02
± 0.08
|
| 3942 |
EDG-MED-90036822-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[NH3+] |
−5.0
± 0.3
|
| 3943 |
MIC-UNK-37660950-3_3
|
|
CS(=O)(=O)[N@@]1CCC[C@H](C1)CNc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−5.0
± 0.4
|
| 3944 |
EDJ-MED-139368ae-3_1
|
|
COC1CN(C1)S(=O)(=O)[N@@]2Cc3ccccc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5 |
−5.0
± 0.3
|
| 3945 |
ALP-POS-f1807566-2_1
|
|
COc1ccc2cncc(c2c1)NC(=O)[C@@H]3CNC(=O)c4c3cc(cc4)Cl |
−5.0
± 0.4
|
| 3946 |
MAT-POS-e9e99895-2_1
|
|
CC(C)[N@@H+]1CCO[C@@H](C1)C(=O)N[C@@](C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.02
± 0.10
|
| 3947 |
BEN-BAS-5c03e89e-1_3
|
|
CC(C)([C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl)O |
−5.0
± 0.4
|
| 3948 |
EDJ-MED-670ad2ee-6_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC5 |
−5.0
± 0.6
|
| 3949 |
ALP-POS-347519b5-3_25
|
|
CS(=O)(=O)[N@@]1C[C@@H]2[C@@H]3CC[C@H]([C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−5.0
± 0.3
|
| 3950 |
EDG-MED-90036822-68_1
|
|
C[N@@H+](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C5CC5 |
−5.0
± 0.4
|
| 3951 |
RAL-THA-8416115c-1_1
|
|
c1ccc(cc1)CN2CC[C@@H](c3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.01
± 0.09
|
| 3952 |
DAR-DIA-0d514e7d-7_1
|
|
C[C@H]1COc2c(cc(cc2NC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−5.0
± 0.3
|
| 3953 |
KAD-UNI-b13decd3-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cn(nn5)C[C@@H]6CCCO6 |
−5.0
± 0.3
|
| 3954 |
EDJ-MED-1981ceba-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)N5CCOCC5 |
−5.0
± 0.4
|
| 3955 |
JOH-UNI-ea72002d-3_2
|
|
c1ccc2c(c1)cncc2[C@H](C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)N5C(=O)C=CC5=O |
−5.0
± 0.3
|
| 3956 |
EDJ-MED-946e547c-1_2
|
|
CO[C@]1(CCNc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−5.0
± 0.2
|
| 3957 |
MAT-POS-4223bc15-32_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)c5[nH]ccn5 |
−5.0
± 0.3
|
| 3958 |
VLA-MRT-8c78ee15-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O |
−5.0
± 0.4
|
| 3959 |
ALP-UNI-76695c4f-4_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@H]6C5 |
−5.0
± 0.3
|
| 3960 |
ED_-GRI-5b13fbe2-26_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)CC6CC(C6)[NH3+] |
−5.0
± 0.5
|
| 3961 |
KAD-UNI-80f122c8-2_1
|
|
CC(=O)N1C[C@H]2C[C@@H]1CN2C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.99
± 0.09
|
| 3962 |
ALP-UNI-8e43a71e-15_12
|
|
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 |
−5.0
± 0.3
|
| 3963 |
MAK-UNK-3875bbc8-1_1
|
|
Cc1ccc2c(c1)[C@@H](CCO2)C(=O)N(C)c3cncc4c3cccc4 |
−5.0
± 0.1
|
| 3964 |
MAT-POS-dc2604c4-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N |
−5.0
± 0.2
|
| 3965 |
CHO-MSK-a31cca77-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nccnn5 |
−5.0
± 0.4
|
| 3966 |
BEN-BAS-c2bc0d80-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4N=CO3)Cl |
−5.0
± 0.5
|
| 3967 |
ALP-UNI-0676e700-13_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)S(=O)(=O)N |
−5.0
± 0.3
|
| 3968 |
RAL-THA-e002e396-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)CCO |
−5.0
± 0.1
|
| 3969 |
EDJ-MED-827e7cb4-9_2
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@H]3CN(C(=O)c4c3cc(cc4)Cl)S(=O)(=O)CC5(CCC5)C#N |
−5.0
± 0.2
|
| 3970 |
EDG-MED-ba1ac7b9-31_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@@H]6CCCOC6 |
−4.98
± 0.08
|
| 3971 |
MAT-POS-4223bc15-13_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@@H]5CC[C@@H]5O |
−5.0
± 0.5
|
| 3972 |
MIC-UNK-ea4eb352-6_2
|
|
CO[C@]1(C[N@@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−5.0
± 0.3
|
| 3973 |
DAR-DIA-6be260fc-2_1
|
|
CC(C)C[C@H]1CN(C(=O)[C@@]12CNc3c2cc(cc3)Cl)c4cncc5c4cccc5 |
−5.0
± 0.6
|
| 3974 |
EDJ-MED-139368ae-4_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cccc4)S(=O)(=O)N5CC(C5)C#N |
−5.0
± 0.3
|
| 3975 |
ED_-GRI-5b13fbe2-55_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@]5(C[NH2+]C[C@@H]5CO)F |
−5.0
± 0.3
|
| 3976 |
ALP-UNI-dbbfd3db-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@H](O5)C(=O)N6CCCC6 |
−5.0
± 0.2
|
| 3977 |
MAK-UNK-b7886382-5_1
|
|
CN(C)c1ccc(cc1)N([C@@H]2CCCC[NH2+]2)C(=O)Cc3cncc4c3cccc4 |
−5.0
± 0.3
|
| 3978 |
BEN-DND-a02b439d-12_1
|
|
C[N@@H+]1Cc2cc(c(cc2[C@@](C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl)Cl |
−5.0
± 0.2
|
| 3979 |
BEN-DND-6de5dfa0-11_1
|
|
CC(=O)N1CC[NH+](CC1)CC(=O)Nc2cncc3c2cccc3 |
−5.0
± 0.6
|
| 3980 |
ALF-EVA-b701bd13-2_1
|
|
CC(=O)Nc1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl |
−5.0
± 0.2
|
| 3981 |
RAL-THA-b9d6aec1-1_1
|
|
CN(C)S(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−5.0
± 0.2
|
| 3982 |
MAT-POS-4223bc15-13_15
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CC[C@H]5O |
−5.0
± 0.2
|
| 3983 |
MIC-UNK-06e5f114-3_1
|
|
CS(=O)(=O)[N@@]1CCC[C@@H](C1)[NH2+]Cc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−5.0
± 0.2
|
| 3984 |
ALP-POS-93b3621f-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OC(F)(F)F |
−5.0
± 0.4
|
| 3985 |
UNK-UNK-2ede4078-34_1
|
|
Cc1c(cc(cc1OC)C(=O)Nc2cncc3c2cccc3)OC |
−5.0
± 0.3
|
| 3986 |
RAL-THA-2d450e86-15_1
|
|
Cc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−5.0
± 0.5
|
| 3987 |
ALF-EVA-0b412456-8_1
|
|
c1cc2cncc(c2cc1C3C[NH2+]C3)NC(=O)Cc4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 |
−5.0
± 0.2
|
| 3988 |
RAL-THA-2d450e86-40_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccccc3C#N |
−5.0
± 0.4
|
| 3989 |
MAT-POS-4223bc15-31_2
|
|
Cn1ncc(n1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.95
± 0.09
|
| 3990 |
MAT-POS-f9802937-2_1
|
|
CN1c2ccc(cc2[C@@](CC1=O)(C(=O)Nc3cncc4c3cccc4)O)Cl |
−4.95
± 0.09
|
| 3991 |
DAR-DIA-ecdbc7dd-16_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC5 |
−4.9
± 0.2
|
| 3992 |
EDJ-MED-15e90dfc-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccn[nH]5 |
−4.9
± 0.2
|
| 3993 |
KAD-UNI-877d7bed-16_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4OCCn5c(ccc5O)O)Cl |
−4.9
± 0.1
|
| 3994 |
ALP-POS-347519b5-3_38
|
|
CS(=O)(=O)[N@]1C[C@@H]2[C@H]3CC[C@@H]([C@@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−4.9
± 0.2
|
| 3995 |
DAR-DIA-6be260fc-3_1
|
|
C[C@H]1CN(C(=O)[C@@]12CNc3c2cc(cc3)Cl)c4cncc5c4cccc5 |
−4.9
± 0.3
|
| 3996 |
DAR-DIA-6a508060-1_1
|
|
c1ccc2c(c1)cncc2CC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−4.9
± 0.3
|
| 3997 |
VLA-UNK-f702bf1c-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6[nH]ncn6 |
−4.9
± 0.3
|
| 3998 |
PET-UNK-e5587e5d-1_1
|
|
CCOCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.9
± 0.3
|
| 3999 |
DAR-DIA-0587064e-16_1
|
|
COCCOc1cc(cc2c1NCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−4.9
± 0.2
|
| 4000 |
MAT-POS-89e65850-2_2
|
|
COC1=Nc2ccc(cc2[C@](C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl |
−4.9
± 0.5
|