| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 4301 |
EDG-MED-90036822-83_1
|
|
C[N@@H+]1CC[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.4
± 0.5
|
| 4302 |
VLA-MRT-a639d434-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−4.4
± 0.4
|
| 4303 |
EDG-MED-90036822-31_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]ccn5 |
−4.4
± 0.4
|
| 4304 |
MAK-UNK-c749d764-31_5
|
|
CC/C=C(/c1cncc2c1cccc2)\C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F |
−4.4
± 0.5
|
| 4305 |
ALP-POS-347519b5-2_34
|
|
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 |
−4.4
± 0.3
|
| 4306 |
PET-UNK-022eab87-2_1
|
|
CO[C@]1(CS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.4
± 0.3
|
| 4307 |
RAL-THA-05e671eb-23_2
|
|
COc1cccc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4 |
−4.4
± 0.5
|
| 4308 |
ALF-EVA-a24cc7ce-7_1
|
|
CN(c1cncc2c1cccc2)C(=O)Cc3cc(cc(c3)F)F |
−4.4
± 0.4
|
| 4309 |
ALP-POS-a9ad2217-2_2
|
|
CN([C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCCC5 |
−4.4
± 0.2
|
| 4310 |
EDG-MED-90036822-109_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[N@@H+]5CC[C@@H](C5)F |
−4.4
± 0.5
|
| 4311 |
MAT-POS-dc2604c4-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CCC#N |
−4.4
± 0.2
|
| 4312 |
ALP-UNI-0676e700-30_1
|
|
C[NH+]1CCC(CC1)OCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.4
± 0.3
|
| 4313 |
ALP-POS-347519b5-1_33
|
|
CS(=O)(=O)[N@@]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5 |
−4.4
± 0.2
|
| 4314 |
EDJ-MED-015fb6b4-2_1
|
|
CNC(=O)CN1C[C@@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.4
± 0.4
|
| 4315 |
MAT-POS-a3f7f96a-6_3
|
|
C[C@@]1(CCS(=O)(=O)C1)n2cc(cn2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.4
± 0.3
|
| 4316 |
CHO-MSK-5891c1ff-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O |
−4.4
± 0.4
|
| 4317 |
PET-UNK-9bf1291a-1_2
|
|
CO[C@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−4.4
± 0.3
|
| 4318 |
EDG-MED-90036822-48_1
|
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C |
−4.4
± 0.5
|
| 4319 |
MAT-POS-4223bc15-11_10
|
|
C[C@H]1CC[N@@](C1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.41
± 0.10
|
| 4320 |
KAD-UNI-b13decd3-6_2
|
|
CN(CCO)c1ccc(cn1)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.4
± 0.3
|
| 4321 |
PET-UNK-9b23ef84-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)c5ncon5 |
−4.4
± 0.3
|
| 4322 |
ALF-EVA-07677224-4_8
|
|
C[C@H]1[C@H](CCO1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.4
± 0.4
|
| 4323 |
MAK-UNK-c749d764-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)Cl |
−4.4
± 0.2
|
| 4324 |
EDG-MED-ba1ac7b9-25_6
|
|
C[C@H]1CN(CC[N@@H+]1CCO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.40
± 0.07
|
| 4325 |
KAD-UNI-cb0f2bbc-12_1
|
|
CC(C)(C)OC(=O)N1CC(=O)N2CCOC[C@@]2(C1)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.4
± 0.4
|
| 4326 |
MIC-UNK-460e637d-2_4
|
|
C[N@H+]1CCN(C[C@H]1CO[C@@H]2CC(=O)N2)C(=O)Cc3cncc4c3cccc4 |
−4.4
± 0.7
|
| 4327 |
EDG-MED-ba1ac7b9-25_1
|
|
C[C@@H]1CN(CC[N@@H+]1CCO)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.40
± 0.09
|
| 4328 |
MAT-POS-d8472c4f-5_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[NH2+]Cc4c3cc(cc4)Cl |
−4.4
± 0.5
|
| 4329 |
MIC-UNK-54748b58-3_3
|
|
CNC(=O)C[N@@]1C[C@H](c2cc(c(cc2S1(=O)=O)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.4
± 0.2
|
| 4330 |
MAT-POS-4223bc15-16_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@@]5CCC[C@@H]5CO |
−4.4
± 0.3
|
| 4331 |
ED_-GRI-5b13fbe2-69_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@H]5[NH3+] |
−4.4
± 0.4
|
| 4332 |
VLA-UNK-db5e3064-2_1
|
|
c1ccc2c(c1)cncc2n3c(c(oc3=O)c4cccc(c4)Cl)[O-] |
−4.4
± 0.3
|
| 4333 |
EDJ-MED-ee07cf00-7_1
|
|
Cc1c(c(=O)ccn1CC(=O)N[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4)[O-] |
−4.4
± 0.4
|
| 4334 |
EDJ-MED-b7309adf-1_2
|
|
c1cc2c(cc1F)cncc2NC(=O)[C@H]3CCS(=O)(=O)c4c3cc(cc4)Cl |
−4.4
± 0.4
|
| 4335 |
ALF-EVA-07677224-9_1
|
|
CC1(C[NH2+]C1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.4
± 0.2
|
| 4336 |
ALP-POS-5bb456a5-1_16
|
|
C[C@H]1C[N@](CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−4.38
± 0.10
|
| 4337 |
PET-UNK-03fd2068-5_1
|
|
CS(=O)(=O)[N@@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)F |
−4.4
± 0.3
|
| 4338 |
EDJ-MED-009f762b-3_2
|
|
Cn1cc(nn1)C[N@H+]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl |
−4.4
± 0.2
|
| 4339 |
DAR-DIA-0587064e-23_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(cc4OCc5ccccc5Cl)Cl |
−4.4
± 0.2
|
| 4340 |
ALP-UNI-3496895b-15_2
|
|
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 |
−4.4
± 0.4
|
| 4341 |
EDJ-MED-6864a934-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6nccn6ccn5 |
−4.4
± 0.4
|
| 4342 |
MIC-UNK-460e637d-2_7
|
|
C[N@@H+]1CCN(C[C@H]1CO[C@H]2CC(=O)N2)C(=O)Cc3cncc4c3cccc4 |
−4.4
± 0.5
|
| 4343 |
KAD-UNI-8a629cb0-45_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6cc[nH]n6c5=O |
−4.4
± 0.3
|
| 4344 |
EDJ-MED-c82a5324-1_2
|
|
CNC(=O)[C@H](CO)[N@@H+]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−4.4
± 0.2
|
| 4345 |
EDJ-MED-cf877e1d-2_4
|
|
CN(C)S(=O)(=O)[N@]1Cc2ccc(cc2[C@](C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl |
−4.4
± 0.4
|
| 4346 |
MAT-POS-dc2604c4-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CNC5)C#N |
−4.4
± 0.3
|
| 4347 |
PET-UNK-9b23ef84-9_2
|
|
CO[C@]1(CN(Cc2c1cc(c(c2)F)Cl)c3ncno3)C(=O)Nc4cncc5c4cccc5 |
−4.4
± 0.2
|
| 4348 |
JOH-UNI-ee5ed7c8-11_1
|
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)CC(F)(F)F |
−4.4
± 0.3
|
| 4349 |
EDG-MED-90036822-53_1
|
|
CCn1cc(nc1)[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−4.4
± 0.6
|
| 4350 |
MAT-POS-4223bc15-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC(C5)C#N |
−4.4
± 0.2
|
| 4351 |
MAT-POS-24589f88-15_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccc(cc5)N6CCNC(=O)C6 |
−4.35
± 0.10
|
| 4352 |
MAT-POS-d8472c4f-2_1
|
|
COC(=O)[C@H]1CC[C@H](O1)C[NH2+][C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.3
± 0.3
|
| 4353 |
BEN-DND-d1eb1f41-6_1
|
|
C[NH+](C)Cc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl |
−4.3
± 0.2
|
| 4354 |
FRA-DIA-6238d354-1_1
|
|
CO[C@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.3
± 0.2
|
| 4355 |
KAD-UNI-877d7bed-11_1
|
|
CC(C)([C@@H]1CCN(C1)C(=O)COc2cc(cc3c2OCC[C@@H]3C(=O)Nc4cncc5c4cccc5)Cl)O |
−4.3
± 0.2
|
| 4356 |
EDJ-MED-827e7cb4-9_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3CN(C(=O)c4c3cc(cc4)Cl)S(=O)(=O)CC5(CCC5)C#N |
−4.3
± 0.3
|
| 4357 |
PET-UNK-162c14b2-2_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)CC#N |
−4.3
± 0.3
|
| 4358 |
MIC-UNK-54748b58-4_4
|
|
CNC(=O)C[N@]1C[C@H](c2cc(c(cc2S1(=O)=O)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.3
± 0.4
|
| 4359 |
ALP-UNI-0676e700-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCC(CC5)NC(=O)N |
−4.3
± 0.3
|
| 4360 |
PET-UNK-ac320b15-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@H](O4)C(=O)N5CCCC5 |
−4.3
± 0.5
|
| 4361 |
KAD-UNI-8a629cb0-44_2
|
|
CS(=O)(=O)[N@]1CC[C@@H](C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.3
± 0.5
|
| 4362 |
MAT-POS-64942dd0-3_1
|
|
CS(=O)(=O)[N@@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)F |
−4.3
± 0.3
|
| 4363 |
ED_-GRI-5b13fbe2-52_2
|
|
C[C@](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(c5cn(nn5)CC6CC6)[NH3+] |
−4.3
± 0.5
|
| 4364 |
EDG-MED-ba1ac7b9-31_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@@H]6CCCOC6 |
−4.3
± 0.3
|
| 4365 |
ALF-EVA-07677224-1_1
|
|
Cc1nc(ns1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.3
± 0.4
|
| 4366 |
BEN-DND-d1eb1f41-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@H](C3=O)c4ccc(c(c4)Cl)F |
−4.3
± 0.4
|
| 4367 |
MIC-UNK-ea4eb352-9_2
|
|
CO[C@]1(CCS(=O)(=O)c2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.3
± 0.3
|
| 4368 |
PET-UNK-1320d94d-30_1
|
|
CN([C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CCC[C@@H](O4)C(=O)N5CCCC5 |
−4.3
± 0.2
|
| 4369 |
EDJ-MED-015fb6b4-1_2
|
|
CNC(=O)CN1C[C@](c2cc(ccc2C1=O)Cl)(C(=O)Nc3cncc4c3cccc4)OC |
−4.3
± 0.3
|
| 4370 |
ALP-POS-5290f14d-1_3
|
|
CO[C@@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−4.3
± 0.2
|
| 4371 |
MAT-POS-e6dd326d-12_1
|
|
CNC(=O)NC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.3
± 0.5
|
| 4372 |
MIC-UNK-06e5f114-1_1
|
|
CS(=O)(=O)c1ccc(cc1)NCc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−4.3
± 0.4
|
| 4373 |
EDG-MED-90036822-78_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@@H](C5CC5)O)F |
−4.3
± 0.4
|
| 4374 |
PET-UNK-b78139fa-15_1
|
|
CO[C@]1(CS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(c(c4)F)F |
−4.3
± 0.3
|
| 4375 |
EDJ-MED-0047eae5-2_1
|
|
CN(C)S(=O)(=O)N1C[C@@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.3
± 0.3
|
| 4376 |
EDJ-MED-fcba3f31-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5C[C@@H](CO5)CO |
−4.3
± 0.3
|
| 4377 |
PET-UNK-689df078-4_1
|
|
C[N@@H+]1CC(=O)N(C(=O)[C@@H]1c2cccc(c2)Cl)c3cncc4c3cccc4 |
−4.3
± 0.8
|
| 4378 |
ALP-POS-347519b5-3_37
|
|
CS(=O)(=O)[N@@]1C[C@@H]2[C@H]3CC[C@@H]([C@@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−4.3
± 0.1
|
| 4379 |
MAK-UNK-c749d764-20_5
|
|
CCCN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F |
−4.3
± 0.2
|
| 4380 |
MAT-POS-e9e99895-11_2
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)COC |
−4.30
± 0.10
|
| 4381 |
EDJ-MED-ee07cf00-6_1
|
|
Cn1cc(cn1)C2=NO[C@@H](C2)C(=O)N[C@@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.30
± 0.07
|
| 4382 |
EDG-MED-90036822-101_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CC(C5)(F)F)O |
−4.3
± 0.4
|
| 4383 |
PET-UNK-83d689b6-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5ccnn5 |
−4.3
± 0.2
|
| 4384 |
MIC-UNK-54748b58-4_3
|
|
CNC(=O)C[N@@]1C[C@H](c2cc(c(cc2S1(=O)=O)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.3
± 0.4
|
| 4385 |
EDJ-MED-670ad2ee-4_2
|
|
C[C@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.3
± 0.7
|
| 4386 |
ALP-POS-a9ad2217-2_1
|
|
CN([C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCCC5 |
−4.3
± 0.4
|
| 4387 |
MIC-UNK-ea4eb352-8_2
|
|
CO[C@]1(CCSc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.3
± 0.4
|
| 4388 |
MAT-POS-de59a476-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)OCCN4CCOCC4=O |
−4.3
± 0.3
|
| 4389 |
MAT-POS-932d1078-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COCC[N@@]5CC(F)(F)F |
−4.28
± 0.09
|
| 4390 |
CHO-MSK-a31cca77-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nccnn5 |
−4.3
± 0.6
|
| 4391 |
EDG-MED-ba1ac7b9-7_1
|
|
C[C@@H]1N(CCO1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.3
± 0.4
|
| 4392 |
EDG-MED-90036822-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CC[NH+]5CCOCC5)O |
−4.3
± 0.5
|
| 4393 |
EDG-MED-ba1ac7b9-27_7
|
|
C[C@@H]1C[N@H+](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO |
−4.27
± 0.08
|
| 4394 |
MAT-POS-e69ad64a-3_1
|
|
C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3ccc(c(c3)Cl)Cl |
−4.3
± 0.3
|
| 4395 |
EDJ-MED-d203f206-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC56CC(C6)O |
−4.3
± 0.4
|
| 4396 |
LON-WEI-4d77710c-43_1
|
|
Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C |
−4.3
± 0.1
|
| 4397 |
ERI-UCB-ce40166b-6_1
|
|
c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)Cl)O[C@@H]4CCC(=O)N4 |
−4.27
± 0.09
|
| 4398 |
ALP-UNI-8e43a71e-2_13
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@H]5CCC[N@H+]6CCO |
−4.26
± 0.06
|
| 4399 |
EDJ-MED-fa7708b3-1_4
|
|
CNS(=O)(=O)C[N@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−4.3
± 0.3
|
| 4400 |
ALP-POS-5bb456a5-10_1
|
|
CCNC(=O)C[NH+]1CCN(CC1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.3
± 0.2
|