Molecule Details

CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccc1CNc1nc2ccccc2[nH]1
Ugi
Molecular Properties
SMILES:
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccc1CNc1nc2ccccc2[nH]1
MW: 498.381
Fraction sp3: 0.26
HBA: 5
HBD: 4
Rotatable Bonds: 9
TPSA: 108.14
cLogP: 2.919
Covalent Warhead:
Covalent Fragment: ✔️

triple bond

Filter9_metal

Long aliphatic chain

Dipeptide

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

View

CC(=O)NC(Cc1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-25
0.620

View
O=S1(=O)CC(Oc2ccccc2CNc2nc3ccccc3[nH]2)C1

MAK-UNK-1bb0b7ee-12
0.455

View
c1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)nc1

MAK-UNK-1bb0b7ee-9
0.450

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccn1

MAK-UNK-1bb0b7ee-7
0.443

View
Oc1ccccc1CNc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-25
0.422

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)Oc1ccccc1NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-6
0.419

View
CC1C(Oc2ccccc2CNc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-15
0.403

View
c1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1

MAK-UNK-a7992eb3-19
0.403

View
FC(F)c1ccccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-5
0.396

View
O=C(Nc1ccccc1Oc1ccccc1CNc1nc2ccccc2[nH]1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-4
0.393

View
c1ccc(C2(COc3ccccc3CNc3nc4ccccc4[nH]3)CCCC2)nc1

MAK-UNK-1bb0b7ee-5
0.393

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OCC1(c2ccccn2)CCCC1

MAK-UNK-1bb0b7ee-3
0.382

View
O=c1[nH]cccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-4
0.378

View
CC(=O)NC(Cc1ccc(O[C@H](C)[C@H](NC(C)=O)C(=O)NCC#CBr)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-27
0.377

View
c1ccc(OC2CCN(Cc3ccsc3)CC2)c(CNc2nc3ccccc3[nH]2)c1

MAK-UNK-a7992eb3-12
0.370

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OC1CS(=O)(=O)C1

MAK-UNK-1bb0b7ee-10
0.364

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OCC1CN(Cc2ccccc2)CCO1

MAK-UNK-a7992eb3-21
0.359

View
CS(=O)(=O)c1ccc(CNc2nc3ccccc3[nH]2)s1

JAR-KUA-672ec752-12
0.340

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OC1CCCN(Cc2ccccc2)C1C

MAK-UNK-1bb0b7ee-13
0.336

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)O

MAT-POS-59e2c5d7-1
0.322

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)O

AAR-POS-d2a4d1df-42
0.322

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OC1CCN(Cc2ccsc2)CC1

MAK-UNK-a7992eb3-14
0.322

View
Oc1ccc(CN2CCNCC2)cc1CNc1nc2ccccc2[nH]1

MAK-UNK-1ac43cfa-1
0.322

View
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#CBr

NIC-BIO-3276ca7f-2
0.321

View
CC(=O)N[C@@H](Cc1c[nH]c2cccc(OC(C)=O)c12)C(=O)NCC#CBr

NIC-BIO-b40446ce-1
0.313

View
CC(=O)NC(C(=O)NCC#CBr)C(c1ccc(O)cc1)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-5
0.310

View
CCN(C)CNc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-2
0.309

View
COc1cccc2[nH]cc(C[C@H](NC(C)=O)C(=O)NCC#CBr)c12

NIC-BIO-3276ca7f-3
0.304

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCC#CBr

NIC-BIO-3276ca7f-1
0.289

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

AAR-POS-d2a4d1df-16
0.282

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1nc2ccccc2[nH]1

ALP-POS-a30bcdb4-1
0.276

View
CC(O)CNCc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-1
0.270

View
CC(=O)NC(Cc1ccc(O)cc1S(=O)(=O)NCCc1ccccc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-2
0.270

View
CC(=O)NC(Cc1ccc(Oc2ccccn2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-29
0.263

View
O=C(Nc1nc2ccccc2[nH]1)C(CCC1CCCCC1)c1cccc(Cl)c1

ALP-POS-3fc1724e-8
0.262

View
O=C(Nc1ccccc1)c1cccc2[nH]c(NCc3ccccc3O)nc12

SWA-SYN-40d44a84-3
0.259

View
CC(=O)NC(Cc1ccc(OC2CS(=O)(=O)C2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-28
0.259

View
CC(=O)NC(CC(N)=O)C(=O)NCC#CBr

AAR-POS-d2a4d1df-43
0.258

View
O=C1CC(Oc2cc(Cl)cc(C(CCc3ccccc3)C(=O)Nc3nc4ccccc4[nH]3)c2)N1

ALP-POS-a30bcdb4-2
0.257

View
Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.257

View
CS(=O)(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-10
0.254

View
COc1cccc(C(NC(=O)Cc2cccc(Cl)c2)c2nc3ccccc3[nH]2)c1

ALP-POS-ddb41b15-9
0.254

View
CC(=O)N[C@H](C(=O)Nc1ccsc1)[C@@H](C)OCc1ccccc1

LAU-FAC-e2c8b4ad-1
0.252

View
CC(=O)NC(Cc1ccc(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-3
0.250

View
CC(=O)NCCc1c[nH]c2c(Cc3nc4ccccc4[nH]3)cc(F)cc12

GAB-REV-4a4e2ff3-3
0.250

View
CC(=O)NC(Cc1ccc(OCC2(c3ccccn3)CCCC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-30
0.246

View
O=C(NCC#CBr)C(Cc1ccc(O)cc1)NC(=O)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-9
0.246

View
O=C(O)CCc1nc2ccccc2[nH]1

MAR-TRE-ebcc4ad6-45
0.245

View
CC(=O)N[C@@H](Cc1c[nH]c2cccc(OC(C)=O)c12)C(=O)NCc1ccccc1

NIC-BIO-b40446ce-2
0.244

View
N#Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1

MAR-TRE-1c920f6f-65
0.243

View
CC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)NCC#CBr

NIC-BIO-7d400292-1
0.241

View
CC(=O)NC(Cc1ccc(O)c(S(=O)(=O)NCCc2ccccc2)c1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-1
0.240

View
O=C(CS(=O)(=O)NCCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-8
0.238

View
CC(=O)NC(Cc1ccc(OCC2CN(Cc3ccccc3)CCO2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-18
0.235

View
O=C(Nc1ccccc1Sc1nc2ccccc2[nH]1)c1cncnc1

MAR-TRE-9d18ae8c-12
0.235

View
CS(=O)(=O)NCCc1ccccc1C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-3
0.234

View
Oc1ccccc1CN1CCN(c2nc3ccccc3[nH]2)CC1

SWA-SYN-40d44a84-1
0.234

View
CC(=O)NC(C(=O)NC(C#CBr)NCN(CC1C=C(C)C=N1)C(=O)Nc1ccccc1)[C@@H](C)O

MAT-CRI-83f800fc-2
0.233

View
COc1ccccc1CN[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-10
0.233

View
CC(=O)NC(Cc1ccc(OC2CCCN(Cc3ccccc3)C2C)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-26
0.233

View
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

NIC-BIO-3276ca7f-7
0.233

View
ClCc1ncc(NCc2nc3ccccc3[nH]2)[nH]1

MAR-TRE-87acfbcc-73
0.231

View
CC(=O)NC(C(=O)NC(C#CBr)NC(=O)N(CC1C=C(C)C=N1)C(=O)Nc1ccccc1)[C@@H](C)O

MAT-CRI-83f800fc-1
0.229

View
O=C(C(Nc1nc2ccccc2[nH]1)c1ccccc1O)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-1
0.229

View
CCc1nc(SCc2nc3ccccc3[nH]2)c(C#N)cc1C

MAR-TRE-1c920f6f-61
0.229

View
CC(=O)NCCc1c[nH]c2c(NCc3ccccc3C#N)cc(F)cc12

GAB-REV-4a4e2ff3-13
0.228

View
CC(=O)NC(Cc1ccc(OC2CCN(Cc3ccsc3)CC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-11
0.226

View
C=CC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1

SAD-SAT-f0a2747f-6
0.225

View
COc1ccc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-37
0.225

View
ClCc1n[nH]cc1NCc1nc2ccccc2[nH]1

MAR-TRE-423310b6-61
0.225

View
CS(=O)(=O)Cc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-39
0.224

View
N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2

MAR-TRE-14ce9fd6-40
0.223

View
O=C(Cc1ccccc1Cl)NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21

MAR-TRE-04c86cea-88
0.223

View
CS(=O)(=O)NCC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr)c1ccccc1

MAK-UNK-c44f4be0-11
0.222

View
O=C(NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cncnc1

MAR-TRE-9d18ae8c-20
0.221

View
O=C(CCc1nc2ccccc2[nH]1)Oc1csc(CCl)n1

MAR-TRE-36bf7dba-66
0.220

View
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)C(=O)NC2=O

COM-UCB-8c7d23dc-2
0.218

View
N#CCCSCc1nc2ccccc2[nH]1

MAR-TRE-14ce9fd6-30
0.217

View
COc1ccccc1OCC(CC(C)C)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-6
0.216

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1ccccc1

NIC-BIO-3276ca7f-4
0.215

View
Cc1c[n+](-c2nc3ccccc3[nH]2)c(CS)cc1OCC(F)(F)F

MAR-TRE-143fb005-14
0.215

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1cccc(Cl)c1

NIC-BIO-3276ca7f-6
0.214

View
CS(=O)(=O)NCCc1cccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC#CBr)c1

MAK-UNK-c44f4be0-4
0.214

View
CC(=O)NC(Cc1ccc(O)cc1)(C(=O)NCC#CBr)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-6
0.213

View
COc1ccccc1CNC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21

MAR-TRE-4b834d9a-8
0.211

View
COCCCOc1cc(CS)[n+](-c2nc3ccccc3[nH]2)cc1C

MAR-TRE-143fb005-24
0.211

View
CC(=O)NCCc1c[nH]c2c(CNc3cc4ccccc4[nH]3)cc(F)cc12

GAB-REV-4a4e2ff3-15
0.211

View
CS(=O)(=O)NCCc1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC#CBr)cc1

MAK-UNK-c44f4be0-14
0.210

View
CNCn1nncc1CC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C

BAR-COM-655b106d-7
0.209

View
O=C(NCc1nc2ccccc2c(=O)[nH]1)C(c1cccnc1)N1CCCC1

MAR-TRE-c8530538-71
0.209

View
CC(C)C(NC(=O)Cc1c[nH]c2ccccc12)C(=O)Oc1csc(CCl)n1

MAR-TRE-36bf7dba-26
0.209

View
COc1cc(C)c[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-34
0.209

View
COc1cc(CS)[n+](-c2nc3ccccc3[nH]2)cc1C

MAR-TRE-143fb005-29
0.209

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(Cl)c1

NIC-BIO-a68395b7-4
0.209

View
COc1ccccc1Cc1nc(CNC(=O)c2cncc(C)c2)cc(=O)[nH]1

MAR-TRE-c8530538-28
0.208

View
COc1ccccc1CNC(=O)Cn1ccc2ccc(N3CCOCC3)nc21

MAR-TRE-3159af1a-52
0.206

View
Cc1cc(-c2nc3ccccc3[nH]2)ccc1O

CAS-DEP-751a2458-2
0.206

View
O=C(CCc1nc2ccccc2[nH]1)c1nc(O)sc1CCl

MAR-TRE-aca67d11-41
0.205

View
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

JUS-UNI-57125a42-1
0.205

View
COc1ccccc1CNS(=O)(=O)c1cc(C(=O)Nc2cccnc2)c(Cl)cc1Cl

MAR-TRE-2fd8122f-25
0.203

View
CC(C)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.540

View
FC(F)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.492

View
CC(=O)NC(C(=O)NCc1ccccc1OC(C)C)C(C)C

0.478

View
CC(=O)N[C@@H](C(=O)NCc1ccccc1OC(C)C)C(C)C

0.478

View
COc1ccccc1CNc1nc2ccccc2[nH]1

0.476

View
COC(=O)COc1ccccc1CNc1nc2ccccc2[nH]1

0.471

View
CC(=O)NC(C(=O)NCc1nc2ccccc2[nH]1)C(C)C

0.471

View
CC(=O)N[C@@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C

0.471

View
CC(=O)NC(C(=O)Nc1nc2ccccc2[nH]1)C(C)C

0.470

View
CC(=O)N[C@@H](C(=O)Nc1nc2ccccc2[nH]1)C(C)C

0.470

View
CN(C)C(=O)COc1ccccc1CNc1nc2ccccc2[nH]1

0.465

View
CC(=O)N[C@@H](C(=O)NCc1ccccc1OC(F)F)C(C)C

0.464

View
CC(=O)NC(C(=O)NCc1ccccc1OC(F)F)C(C)C

0.464

View
COc1ccccc1CNC(=O)C(NC(C)=O)C(C)C

0.463

View
COc1ccccc1CNC(=O)[C@H](NC(C)=O)C(C)C

0.463

View
CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.462

View
CC(C)Oc1ccccc1CNC(=O)C(O)C(O)c1nc2ccccc2[nH]1

0.459

View
CC(=O)NC(C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1)C(C)C

0.458

View
CC(=O)N[C@@H](C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1)C(C)C

0.458

View
CC(=O)NC(C(=O)NNc1nc2ccccc2[nH]1)C(C)C

0.456

View
CC(=O)N[C@@H](C(=O)NNc1nc2ccccc2[nH]1)C(C)C

0.456

View
CC(C)Oc1ccccc1CNC(=O)NC(C)c1nc2ccccc2[nH]1

0.452

View
CC(C)Oc1ccccc1CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1

0.452

View
COc1cccc(CNc2nc3ccccc3[nH]2)c1OC(C)C

0.451

View
CC(C)Oc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1

0.446

View
O=C(COc1ccccc1CNc1nc2ccccc2[nH]1)NCC1CC1

0.446

View
CC(=O)N1CCN(c2ccccc2CNc2nc3ccccc3[nH]2)CC1

0.444

View
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1nc2ccccc2[nH]1

0.443

View
CC(C)Oc1ccccc1CNc1nc2ccccc2c(=O)[nH]1

0.441

View
CC(NC(=O)NCc1ccccc1OC(F)F)c1nc2ccccc2[nH]1

0.440

View
CC(C)Oc1ccccc1CNC(=O)NC(c1nc2ccccc2[nH]1)C(C)C

0.440

View
CC(C)Oc1ccccc1CC(=O)Nc1nc2ccccc2[nH]1

0.437

View
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccccc1OC(C)C

0.437

View
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1nc2ccccc2[nH]1

0.437

View
CC(C)(C)OC(=O)NCc1ccccc1CNc1nc2ccccc2[nH]1

0.437

View
CC(=O)NC(C(=O)NCCc1nc2ccccc2[nH]1)C(C)C

0.437

View
CC(=O)N[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)C(C)C

0.437

View
C#CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.435

View
COCCOc1ccccc1CNc1nc2ccccc2[nH]1

0.435

View
CCOc1ccccc1CNC(=O)C(NC(C)=O)C(C)C

0.435

View
CCOc1ccccc1CNC(=O)[C@H](NC(C)=O)C(C)C

0.435

View
CC(=O)NC(C(=O)NCc1ccccc1OCC(C)C)C(C)C

0.435

View
CC(=O)N[C@@H](C(=O)NCc1ccccc1OCC(C)C)C(C)C

0.435

View
COC(=O)c1cccc2[nH]c(NCc3ccccc3OC(C)C)nc12

0.434

View
CC(C)C(=O)NCCNc1nc2ccccc2[nH]1

0.433

View
O=C(COc1ccccc1CNc1nc2ccccc2[nH]1)N1CCCC1

0.432

View
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1nc2ccccc2[nH]1

0.431

View
CC(=O)NC(C(=O)NCc1ccccc1OCCC(C)C)C(C)C

0.431

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CC(=O)N[C@@H](C(=O)NCc1ccccc1OCCC(C)C)C(C)C

0.431

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CC(C)Oc1ccccc1CNc1nc2ccc(F)cc2[nH]1

0.431

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CC(C)C(NC(=O)NCc1ccccc1OC(F)F)c1nc2ccccc2[nH]1

0.429

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CC(C)Oc1ccccc1CNC(=O)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1

0.427

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CC(C)Oc1ccccc1CNC(=O)C(=O)NC(C)c1nc2ccccc2[nH]1

0.427

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CC(=O)N[C@@H](CC(C)C)C(=O)Nc1nc2ccccc2[nH]1

0.426

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CC(=O)NC(CC(C)C)C(=O)Nc1nc2ccccc2[nH]1

0.426

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CC(=O)N[C@H](CC(C)C)C(=O)Nc1nc2ccccc2[nH]1

0.426

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CC(C)OCc1ccccc1CNc1nc2ccccc2[nH]1

0.426

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FC(F)(F)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.426

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C#CCOc1ccccc1CNC(=O)C(NC(C)=O)C(C)C

0.425

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C=CCOc1ccccc1CNC(=O)C(NC(C)=O)C(C)C

0.425

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CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccccc1OC(F)F

0.425

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CC(=O)NC(C(=O)NCCCc1nc2ccccc2[nH]1)C(C)C

0.425

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CC(=O)N[C@@H](C(=O)NCCCc1nc2ccccc2[nH]1)C(C)C

0.425

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C#CCOc1ccccc1CNC(=O)[C@H](NC(C)=O)C(C)C

0.425

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C=CCOc1ccccc1CNC(=O)[C@H](NC(C)=O)C(C)C

0.425

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COc1cccc(CNc2nc3ccccc3[nH]2)c1OC(F)F

0.425

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CC(C)Oc1ccccc1CC(=O)NNc1nc2ccccc2[nH]1

0.425

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COc1ccccc1CNC(=O)NC(C)c1nc2ccccc2[nH]1

0.425

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CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccccc1OC

0.423

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CC(Oc1ccccc1Br)C(=O)Nc1nc2ccccc2[nH]1

0.423

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CC(=O)NC(C(=O)NCc1ccccc1Oc1ccccc1)C(C)C

0.423

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CC(=O)NC(COC(C)C)C(=O)Nc1nc2ccccc2[nH]1

0.423

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CC(C)C(=O)Nc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.423

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CC(C)Oc1ncccc1CNc1nc2ccccc2[nH]1

0.423

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CN(C)CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.423

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CC(=O)NC(CCC(C)C)C(=O)NCc1ccccc1OC(C)C

0.423

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CC(=O)N[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)C(C)C

0.423

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O=C(NCc1ccccc1OC(F)F)C(O)C(O)c1nc2ccccc2[nH]1

0.421

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CC(C)COc1ccccc1CNC(=O)C(O)C(O)c1nc2ccccc2[nH]1

0.421

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CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.421

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C=CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.420

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CC(=O)NCc1cccc(CNc2nc3ccccc3[nH]2)c1

0.420

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CC(C)C(=O)NCCCNc1nc2ccccc2[nH]1

0.420

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COc1cccc(CNc2nc3ccccc3[nH]2)c1OC

0.420

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CC(=O)NC(CCC(C)C)C(=O)Nc1nc2ccccc2[nH]1

0.420

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CC(C)C(NC(=O)NCc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1

0.419

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COc1ccccc1CNC(=O)C(O)C(O)c1nc2ccccc2[nH]1

0.419

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CC(C)Oc1ccccc1CNC(=O)CSc1nc2ccccc2[nH]1

0.419

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CCOc1cccc(CNc2nc3ccccc3[nH]2)c1OC(F)F

0.419

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COc1ccc(CNc2nc3ccccc3[nH]2)c(OC(F)F)c1

0.419

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COc1ccccc1CNC(=O)C(C)S(=O)(=O)c1nc2ccccc2[nH]1

0.419

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CC(=O)N[C@@H](C)C(=O)Nc1nc2ccccc2[nH]1

0.418

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CC(=O)NC(C)C(=O)Nc1nc2ccccc2[nH]1

0.418

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CS(=O)(=O)Cc1ccccc1CNc1nc2ccccc2[nH]1

0.418

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CC(C)CCOc1ccccc1CNC(=O)C(O)C(O)c1nc2ccccc2[nH]1

0.418

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CC(=O)NC(C(=O)NCCc1ccccc1OC(F)F)C(C)C

0.417

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FC(F)Oc1ccc(CNc2nc3ccccc3[nH]2)c(OC(F)F)c1

0.417

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CC(=O)N[C@@H](C(=O)NCCc1ccccc1OC(F)F)C(C)C

0.417

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CC(=O)NC(C(=O)NCc1ccccc1Oc1ccccc1C)C(C)C

0.417

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COc1cc2nc(NCc3ccccc3OC(C)C)[nH]c2cc1OC

0.417

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