SMILES,Ki
CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Cl)[C@H](c2ccccc2)O1,-0.8000293592441343
Cc1cc(Br)ccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1,-1.599992177584098
Cc1ccc(Cl)c(NC(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c1,-1.8000293592441343
Cc1ccc(NC(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c(C)c1,-2.099991233544684
CC1(C)OC[C@H](NC(=O)Nc2cc(Cl)ccc2Cl)[C@H](c2ccccc2)O1,-1.8000293592441343
CC1(C)OC[C@H](NC(=O)Nc2ccccc2I)[C@H](c2ccccc2)O1,-1.899984562549391
CC1(C)OC[C@H](NC(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)O1,-1.899984562549391
CC1(C)OC[C@H](NC(=O)Nc2ccccc2F)[C@H](c2ccccc2)O1,-2.60000308662774
COc1ccccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1,-3.4000006169763797
CC1(C)OC[C@H](NC(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)O1,-2.0
CC(C)c1ccccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1,-3.4000006169763797
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccs2)[C@H](c2ccccc2)O1,-1.7000110623221123
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccsc2)[C@H](c2ccccc2)O1,-1.899984562549391
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2)[C@H](c2ccccc2)O1,-2.0
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2Cl)[C@H](c2ccccc2)O1,-1.4000196350651586
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccnc2)[C@H](c2ccccc2)O1,-2.500003068051693
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccc(Cl)c2)[C@H](c2ccccc2)O1,-1.899984562549391
CC1(C)OC[C@H](/N=C(\S)Nc2ccccc2Br)[C@H](c2ccccc2)O1,-2.60000308662774
CC1(C)OC[C@H](/N=C(\S)Nc2ccc(Cl)cc2Cl)[C@H](c2ccccc2)O1,-2.300008202553813
CC1(C)OC[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)O1,-2.300008202553813
CC1(C)OC[C@H](NC(=O)Oc2ccccc2Cl)[C@H](c2ccccc2)O1,-3.1999991251967965
CC1(C)OC[C@H](NC(=O)Cc2ccccc2Br)[C@H](c2ccccc2)O1,-3.1999991251967965
Cc1ccc(/N=C(\NC#N)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c(Br)c1,-3.100001582801352
CC1(C)OC[C@H](NC(=O)Nc2ccccc2)[C@H](c2ccccc2)O1,-2.7000023971422538
CC1(C)OC[C@H](NC(=O)Nc2cccc(Br)c2)[C@H](c2ccccc2)O1,-3.0
CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2)O1,-2.400002345927956
CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@H](c2ccccc2)O1,-0.7276496815658574
Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21,0.0969100130080563
Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21,0.6989700043360187
Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1,1.0
Cc1ccc2c(c1)nc(SCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1)n2C,1.0457574905606752
Cc1ccc2[nH]c(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)nc2c1,0.6989700043360187
O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2o1,-0.9030899869919436
O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2s1,-0.3010299956639812
Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21,-0.3010299956639812
Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21,0.5228787452803376
O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,-1.041392685158225
O=C(Nc1ccccc1-c1ccccc1F)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,-0.4771212547196624
COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,-0.3010299956639812
O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,-0.7781512503836436
O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,-0.4771212547196624
O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,-1.041392685158225
O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,-2.447158031342219
O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,0.2218487496163563
O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,-2.7481880270062
Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4ccccc4n3)CC2)c1,0.2218487496163563
O=C1c2cc(ccc2-n2nccn2)CCCCc2ccc3cc(ccc3c2)N2CCCN1CC2,-1.6232492903979006
C=CCCCc1ccc2cc(N3CCCN(C(=O)c4cc(CC=C)ccc4-n4nccn4)CC3)ccc2c1,-2.0791812460476247
Cc1ccc(-n2nccn2)c(CN2CCCN(c3ncc4ccccc4n3)CC2)c1,-2.380211241711606
O=C(C1CCCCC1)N1CCCN(c2ncc3ccccc3n2)CC1,-2.7403626894942437
Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ccc4ccccc4c3)CC2)c1,-0.3010299956639812
Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4cc(F)ccc4n3)CC2)c1,0.6989700043360187
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(C2)N(c2ncc4ccccc4n2)C3)c1,-0.3521825181113625
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC2CN(c2ncc4ccccc4n2)C3)c1,-1.041392685158225
Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CC2CN3c2ncc3cc(F)ccc3n2)c1,-2.4149733479708178
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC2CCN3c2ncc3cc(F)ccc3n2)c1,-3.5440680443502757
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1,0.4436974992327127
C[C@@H]1CCN(c2ncc3cc(F)ccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,0.7328282715969863
C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1,0.6020599913279624
C[C@@H]1CCN(c2ncc3c(n2)CCCC3)CCN1C(=O)c1ccccc1-n1nccn1,0.5528419686577808
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4ccccc4o3)CC[C@H]2C)c1,-0.505149978319906
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1,0.3132967151551489
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2CN(c2ncc4ccc(F)cc4n2)CC3)c1,-0.5502283530550941
Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CCC(C2)N3c2ncc3ccc(F)cc3n2)c1,0.0969100130080563
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1Cc1ccco1,-3.2999994961169836
Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c2cccnc2)c1,-3.2999994961169836
Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccco1,-3.1999991251967965
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccco1,-3.0
Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1Cc1ccco1,-3.0
Cc1occc1-c1nnc(SCC(=O)NN2CCc3ccccc32)n1Cc1ccco1,-3.0
Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)C2CNCCN2)c1,-2.800001827817969
Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c(C)c1,-2.7000023971422538
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1Cc1ccco1,-2.7000023971422538
COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1,-2.7000023971422538
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,-2.60000308662774
Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)s1,-2.60000308662774
Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c2ccccn2)c1,-2.60000308662774
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,-2.500003068051693
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(-c3ccc4c(c3)OCO4)c2)n1Cc1ccco1,-2.400002345927956
COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,-2.300008202553813
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1Cc1ccco1,-2.200001865406602
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n1Cc1ccco1,-2.200001865406602
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1Cc1ccco1,-2.0
Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)n1,-2.0
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1Cc1ccco1,-1.8000293592441343
Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,-1.7000110623221123
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1Cc1ccco1,-1.599992177584098
Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,-1.599992177584098
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,-1.4999618655961902
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1,-1.2000292665537704
Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1C,-0.4000196350651585
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,-0.2000292665537703
Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1,0.2068734338814579
O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1,-0.7000110623221123
O=C(CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1,-1.299942900022767
O=C(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1,-1.4999618655961902
CN(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)C(=O)c1ccc(F)cc1,-3.100001582801352
O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1,-1.299942900022767
O=C(c1ccccc1-c1ccccc1)N1CCCC[C@H]1CCOc1ccc(F)cc1F,0.100015437450609
O=C(c1cccc2ccccc12)N1CCCC[C@H]1CCOc1ccc(F)cc1,-2.099991233544684
O=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOc1ccc(F)cc1,-1.299942900022767
N#Cc1cccc(C(=O)N2CCCCC2CCOc2ccc(Cl)c(Cl)c2)c1,-2.800001827817969
COc1cccc(C(=O)N2CCCCC2CCOc2ccc(Cl)c(Cl)c2)c1,-2.7000023971422538
COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1,0.1549019599857432
Cc1cc(C)nc(N2CCC3(CCCN(Cc4ccccc4-c4nc(C)no4)C3=O)CC2)n1,-0.8450980400142568
Cc1noc(-c2ccccc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)n1,-1.3979400086720375
Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1,-2.110589710299249
CN(C)c1ccc(NC(=O)Nc2ccnc3c(F)ccc(F)c23)cc1,-2.7015679850559273
[3H]c1ccc(CN(CC)C(=O)CN(c2ccc(OC([3H])([3H])[3H])nc2)S(=O)(=O)c2ccccc2C)cn1,-0.041392685158225
[3H]c1cccc([3H])c1-c1nnc(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2ccccc2F)o1,-2.110589710299249
Cc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1,-0.7558748556724915
Cc1cc(C)nc(N2CC[C@@H]3CN(C(=O)c4cc(F)ccc4-n4nccn4)[C@H]3C2)n1,-1.255272505103306
O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,-1.6020599913279625
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3nccc4ccccc34)OC[C@H]2C)c1,-0.146128035678238
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ncccc3C)OC[C@H]2C)c1,-0.919078092376074
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccccn3)[C@@H]2C)c1,-1.591064607026499
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3nccc4ccccc34)[C@@H]2C)c1,-0.3222192947339193
CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1,-0.8027737252919757
COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cn1,-0.0
COc1nc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ccc1F,-0.3010299956639812
Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,-0.6989700043360189
COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1,-0.0
COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F,-0.3010299956639812
COc1ccc([C@]2(COc3cnc(C)nc3C)C[C@H]2C(=O)Nc2ccc(F)cn2)cc1F,-0.8450980400142568
O=C(Cc1ccccc1)N1CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.2700030001050595
Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1,-0.6600112212893308
Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)cc4-c4ccccc4)C3=O)CC2)n1,-1.2400497721126476
Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]nc4-c4ccccc4)C3=O)CC2)n1,-0.070037866607755
Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]cc4-c4ccccc4)C3=O)CC2)n1,-0.5899496013257077
Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ncccc45)C3=O)CC2)n1,-1.2100508498751372
Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]c5ccccc45)C3=O)CC2)n1,-0.8399805576783427
COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1,0.7798919119599449
Cc1cc(C)nc(N2CCC3(CCCN(Cc4cn(C)c5ccccc45)C3=O)CC2)n1,-1.319938439980309
Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,-0.8399805576783427
COc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,-1.1501421618485586
Cc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,-1.4300750555519393
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2,-2.7399993094019677
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnccn1)CC2,-2.490000641890952
O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.8470170979353544
O=C1CCCC2(CCN(c3nc4ccccc4o3)CC2)N1Cc1cccc2[nH]ccc12,-0.4886916983169406
Cc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1,0.0700194094844853
O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12,0.1375406374712825
Cc1ccc(C)c(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c1,-1.1595671932336202
COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,1.154901959985743
COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,0.2218487496163563
COc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)cnc2-c2cccnc2)cc1OC,-0.1139433523068367
COc1ccc(CNC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2-c2cccnc2)cc1OC,-2.08278537031645
COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(F)c3)cnc2-c2cccnc2)cc1OC,-0.919078092376074
COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-c2cccnc2)cc1OC,0.0969100130080563
COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1OC,0.1549019599857432
Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)c2)c1,-0.6127838567197355
Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(F)c(C)c3)c2)c1,-1.255272505103306
COc1cccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)c1,-1.6074550232146685
Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(N(C)C)cc3)c2)c1,-0.6812412373755872
COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1,-1.3424226808222062
Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4nccnc4c3)c2)c1,-1.8948696567452523
Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1,-0.4771212547196624
Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4c(c3)OCO4)c2)c1,-2.7634279935629373
Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)OCO4)c2)c1,-1.230448921378274
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1,0.6989700043360187
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](CCc3ccc(F)cn3)CC[C@H]2C)c1,-1.414973347970818
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(F)cn3)CC[C@H]2C)c1,-0.041392685158225
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccccn3)CC[C@H]2C)c1,-1.041392685158225
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccnc3)CC[C@H]2C)c1,-1.6127838567197357
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccncc3)CC[C@H]2C)c1,-0.8450980400142568
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccnc3O)CC[C@H]2C)c1,-1.380211241711606
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cnccc3O)CC[C@H]2C)c1,-0.8750612633917001
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(CO)cn3)CC[C@H]2C)c1,-2.113943352306837
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)n3)CC[C@H]2C)c1,-0.7481880270062005
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cc(CO)ccn3)CC[C@H]2C)c1,-1.6232492903979006
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(CO)nc3)CC[C@H]2C)c1,-2.1760912590556813
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cncc(CO)c3)CC[C@H]2C)c1,-1.505149978319906
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccnc(CO)c3)CC[C@H]2C)c1,-1.3979400086720375
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)c3)CC[C@H]2C)c1,0.2757241303992109
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4cnn(C)c4n3)CC[C@H]2C)c1,-1.6901960800285136
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)nn(C)c4n3)CC[C@H]2C)c1,-0.568201724066995
Cc1nn(C)c2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)ncc12,-1.9637878273455551
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1,0.2218487496163563
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)c(C)oc4n3)CC[C@H]2C)c1,0.3010299956639812
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)csc4n3)CC[C@H]2C)c1,0.6989700043360187
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)coc4n3)CC[C@H]2C)c1,-0.6989700043360189
Cc1coc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12,-1.3979400086720375
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4ccsc4n3)CC[C@H]2C)c1,0.1549019599857432
C[C@@H]1CCN(c2nc(N)c3ccsc3n2)CCN1C(=O)c1ccccc1-n1nccn1,-0.9637878273455552
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4cc(C)sc4n3)CC[C@H]2C)c1,0.3979400086720376
Cc1cc2c(N)nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc2s1,-0.1760912590556812
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)csc4n3)CC[C@H]2C)c1,0.5228787452803376
Cc1csc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12,-0.0791812460476248
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC,0.5228787452803376
COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC,-1.6334684555795866
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC,0.2146701649892329
COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC,-0.146128035678238
COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC,-1.041392685158225
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nnc2-c2ccccc2)nc1OC,-1.041392685158225
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC,0.5228787452803376
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)nc1OC,-0.9542425094393248
COc1ccc(CNC(=O)c2sc(-c3cncc(C)c3)nc2-c2cccc(F)c2)nc1OC,-2.146128035678238
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2F)nc1OC,-0.146128035678238
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cccc(F)c2)nc1OC,0.0433514207947966
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccn2)nc1OC,-0.146128035678238
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC,-0.8808135922807914
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccnnc2)nc1OC,-2.285557309007774
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cncc(F)c2)nc1OC,-0.7160033436347992
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCOCC2)nc1OC,-1.8750612633917
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCCC2)nc1OC,-0.6532125137753437
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCC2)nc1OC,-1.0
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnn(C)c2)nc1OC,-0.6127838567197355
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,-0.010723865391773
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)c2ccccc2)cc1OC,-3.9372168908627057
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2CNc2ccccc2)cc1OC,-3.6259294927162946
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccc2)cc1OC,-0.8573324964312685
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)NC2CCCCC2)cc1OC,-3.894648303793517
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N(C)c2ccccc2)cc1OC,-3.67015304519218
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,-1.5563025007672873
O=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1,-2.9854264740830017
COc1ccc([C@]2(COc3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,-2.110589710299249
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1,-2.7693773260761385
COc1cccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c1,-3.123851640967086
COCc1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)ccc1OC,-2.584331224367531
COCc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,-3.5232260419657013
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)cc1OC,-1.7075701760979365
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)cc1OC,-1.9294189257142929
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ncc(C)s2)cc1OC,-1.5440680443502757
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2nc(C)cs2)cc1OC,-1.146128035678238
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)on2)cc1OC,-1.4471580313422192
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)cc1OC,-1.4313637641589874
COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C#N)ccn2)cc1OC,-1.5314789170422551
COc1cnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc12,0.619788758288394
C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1N(C)C,-2.568201724066995
C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1ccccn1,0.0969100130080563
C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cnn[nH]1,-0.041392685158225
C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cccnc1,-1.7993405494535817
CC1CCC(Oc2ccnc3c(Cl)cccc23)CN1C(=O)c1ccccc1-n1nccn1,0.0457574905606751
CC1CCC(Oc2ccnc3c(Br)cccc23)CN1C(=O)c1ccccc1-n1nccn1,-0.414973347970818
CC1CCC(Oc2ccnc3ccc(Br)cc23)CN1C(=O)c1ccccc1-n1nccn1,-0.7160033436347992
CC1CCC(Oc2c(Br)cnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,-2.255272505103306
CC1CCC(Oc2cc(C(F)(F)F)nc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,-2.173186268412274
Cc1cc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc2n1,-1.4608978427565478
CC1CCC(Oc2cccc3cccnc23)CN1C(=O)c1ccccc1-n1nccn1,-0.9912260756924948
CC1CCC(Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1,-0.7075701760979364
CC1CCC(Oc2ccnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,-0.8325089127062363
CC1CCC(Oc2cccc3ccncc23)CN1C(=O)c1ccccc1-n1nccn1,-0.9684829485539352
CC1CCC(Oc2cccc3cnccc23)CN1C(=O)c1ccccc1-n1nccn1,-0.8750612633917001
C[C@@H]1CC[C@@H](Oc2nccc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,0.6882461389442457
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc4ccccc34)CC[C@H]2C)c1,-0.0
Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3cccc4ccccc34)C2)c1,-1.255272505103306
Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3ccc(F)c(C)c3)C2)c1,-1.740362689494244
Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(COc3ccc(F)c(C)c3)C2)c1,-1.095169351431755
C[C@@H]1CC[C@@H](Oc2cc(-c3ccccc3)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.5797835966168101
C[C@@H]1CC[C@@H](Oc2cc(N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.6532125137753437
C[C@@H]1CC[C@@H](Oc2cc(S(C)(=O)=O)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0.0457574905606751
CSc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,0.6989700043360187
COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,-0.1139433523068367
C[C@@H]1CC[C@@H](Oc2cc(I)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0.3979400086720376
C[C@@H]1CC[C@@H](Oc2cc(Br)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.255272505103306
C[C@@H]1CC[C@@H](Oc2cc(Cl)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.146128035678238
C[C@@H]1CC[C@@H](Oc2cc(F)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.5910646070264992
C[C@@H]1CC[C@@H](Oc2cc(C(=O)N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.8129133566428556
COC(=O)c1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,-0.5910646070264992
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.2041199826559248
C#Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,0.2218487496163563
C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0.6989700043360187
CCc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,0.2218487496163563
C[C@@H]1CC[C@@H](Oc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,-3.380211241711606
Cc1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,-2.79309160017658
Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,-0.414973347970818
Cc1ccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)nc1,-0.414973347970818
Cc1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1,-0.8808135922807914
COc1cccc(OC)c1C(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1,-1.3979400086720375
COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC,0.3010299956639812
Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1,-0.6020599913279624
Cc1ncc(OC[C@@]2(c3ccc(F)c(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-0.6020599913279624
Cc1ncc(OC[C@@]2(c3cc(F)cc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-0.4771212547196624
Cc1ncc(OC[C@@]2(c3ccc(F)cc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-0.9030899869919436
Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,0.3273480771599975
Cc1ncc(OC[C@@]2(c3ccccc3F)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-1.230448921378274
COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F,-0.7781512503836436
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1,-0.6020599913279624
Cc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1,-1.462397997898956
Cc1ccc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)nc1,-1.5314789170422551
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(Cl)cn2)c(C)n1,-0.3010299956639812
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccc(F)n2)c(C)n1,-1.7481880270062005
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-0.8450980400142568
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)c(C)n1,-2.2121876044039577
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1,-1.6989700043360187
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c(C)n1,-1.9030899869919435
COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1,-0.9542425094393248
Cc1cnc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,-1.3222192947339193
CCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1,-0.8450980400142568
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,-1.6901960800285136
Cc1nn(C)cc1OCC1(c2ccccc2)CC1C(=O)Nc1ccc(C#N)cn1,-2.3096301674258988
Cc1ccc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1,-2.346352974450639
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1,-1.4771212547196624
CCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1,-0.6020599913279624
Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(-c2ccccc2)s1,-1.6434526764861874
O=C(c1ccccc1-c1ncccn1)N1C2CCC1[C@H](Nc1cnc(C(F)(F)F)cn1)C2,-2.756636108245848
O=C(c1ccccc1-n1nccn1)N1CC2CC1[C@H](Oc1ccc(F)cn1)C2,-2.903089986991944
O=C(c1ccccc1-c1ncccn1)N1CC2CCC1[C@H](Nc1cnc(C(F)(F)F)cn1)C2,-2.2764618041732443
C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1,-2.3443922736851106
Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-2.749736315569061
O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1,-0.6532125137753437
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)c(C)n3)CC[C@H]2C)c1,-0.2041199826559248
COc1nc(N2CC[C@@H](C)N(C(=O)c3cc(C)ccc3-n3nccn3)CC2)ncc1C(F)(F)F,-0.1760912590556812
Cc1nc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)ncc1C(F)(F)F,-1.041392685158225
COc1nc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)ncc1C(F)(F)F,-0.7993405494535817
C[C@@H]1CCN(c2nc(Cl)ncc2C(F)(F)F)CCN1C(=O)c1ccccc1-n1nccn1,-3.041392685158225
Cc1ncc(C(F)(F)F)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,-3.6232492903979
Cc1cnc(Cl)nc1N1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)CC1,-2.8808135922807914
Cc1ncc(C)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,-3.5563025007672873
C[C@@H]1CCN(c2nc(Cl)ncc2Cl)CCN1C(=O)c1ccccc1-n1nccn1,-2.929418925714293
Cc1ncc(Cl)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,-3.255272505103306
C[C@@H]1CCN(c2ncc(C(F)(F)F)c(Cl)n2)CCN1C(=O)c1ccccc1-n1nccn1,-0.7075701760979364
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)c(Cl)n3)CC[C@H]2C)c1,0.1549019599857432
COc1nc(N2CC[C@@H](C)N(C(=O)c3cc(C)ccc3-n3nccn3)CC2)ncc1C,-1.146128035678238
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C)c(Cl)n3)CC[C@H]2C)c1,-0.5910646070264992
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(Cl)c(C)n3)CC[C@H]2C)c1,-0.785329835010767
COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1,-2.886490725172482
COc1ccc(CNC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,-1.919078092376074
C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)n[nH]c2n1)c1ccccc1,-1.6334684555795866
C[C@H](NC(=O)CNc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,-3.0549958615291417
Cc1nn(C)c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,-1.0
Cc1ccc2c(n1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1,-1.3424226808222062
C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccn3)nn(C)c2n1)c1ccccc1,-2.5646660642520893
Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccn4)nn(C)c3n2)cc1,-0.6989700043360189
Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cnccn4)nn(C)c3n2)cc1,-1.1760912590556811
Cc1cc2c(cn1)[C@@H](NC(=O)COc1cc(C)c3c(C4CC4)nn(C)c3n1)CC2,-1.968482948553935
C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,-2.03342375548695
Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1,-2.7218106152125467
Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(-c3ccccc3)nn(C)c2n1,-1.7708520116421442
COc1ccccc1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,-2.198657086954422
COc1cccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)c1,-1.414973347970818
CC(NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1cccnc1,-2.7649229846498886
Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-c2ncccn2)n1,-2.0170333392987803
Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,-2.8920946026904804
O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2,-2.788168371141168
CCOc1nc(C)ccc1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.250420002308894
O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-4.0
Cc1noc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)n1,-2.0253058652647704
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(Cl)cc4-n4nccn4)CC3C2)n1,-1.255272505103306
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3nccnc3c1)CC2,-2.79309160017658
Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1I,-3.3979400086720375
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1,-0.1139433523068367
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c1,-2.037426497940624
Cc1cc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)nc(C(F)(F)F)n1,-1.380211241711606
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)n1,-1.7481880270062005
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cncn4)CC3C2)n1,-3.1024337056813365
CCOc1ccc2ccccc2c1C(=O)N1CCC2CN(c3nc(C)cc(C)n3)C2C1,-0.7781512503836436
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nccn4C)CC3C2)n1,-3.9541942518158626
Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)n1,-2.9355072658247128
Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.1903316981702914
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5cccc(-n6nccn6)c45)CC3C2)n1,-2.0492180226701815
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OCF)cc1-n1nccn1,-1.5440680443502757
Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1cccnn1,-3.041392685158225
O=C1N(Cc2cccc(-n3cccc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.4345689040341987
Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)cn1,-2.534026106056135
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(C#N)cc1-n1nccn1,-3.133858125203335
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C)C3)n1,-2.305351369446624
COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,-2.832508912706236
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nnc(-c3ccccc3)s1)CC2,-2.895422546039408
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.5185139398778875
O=C(c1ccccc1-n1cccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.561101383649056
Cc1ccc(-c2nccs2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,-0.6232492903979004
Cc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.8976270912904414
COc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-1.6989700043360187
O=C(c1cc(F)ccc1-n1nccn1)C1CC[C@H]2CN(c3cnnc(Cl)c3)[C@H]2C1,-3.146128035678238
O=C1N(Cc2noc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.294466226161593
O=C(c1c(O)ccc2cccnc12)N1C2CCC1C(COc1ccccn1)C2,-2.895422546039408
Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1,-4.0
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,-2.257678574869185
Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)nc(C)c1C,-0.8450980400142568
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncnc3[nH]ccc13)CC2,-2.3783979009481375
Cc1cc(C(C)(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.5563025007672873
O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,-1.4471580313422192
Cc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,-1.0
Cc1nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)cc(=O)[nH]1,-4.0
CCOc1nccc(Br)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.161368002234975
O=C1N(Cc2ccc(-n3cncn3)cc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-3.1983821300082944
Cc1ccc(N(C)C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-3.8976270912904414
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-n4nccn4)CC3C2)n1,-2.385606273598312
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,-2.089905111439398
O=C(c1ccccc1-c1ccccc1)N1CCC2CN(c3nccc(-c4ccccc4)n3)C2C1,-1.5185139398778875
COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,-3.1760912590556813
Cc1nc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)no1,-1.6989700043360187
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4F)CC3C2)n1,-3.356790460351716
Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)n1,-2.342422680822206
Cc1ccc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,-1.863322860120456
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cc[nH]n4)C[C@@H]32)n1,-1.1760912590556811
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(Cl)ccc4C)CC3C2)n1,-2.531478917042255
Cc1ccnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-n1nccn1,-3.380211241711606
COc1cc(Br)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)cc1OC,-4.0
Cc1ccoc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-4.0
Cc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)c1,-2.9777236052888476
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C(F)(F)F)C3)c1,-2.0791812460476247
Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)on1,-3.14050804303818
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncc2)C3)n1,-3.863322860120456
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cnc2C)C3)c1,-2.561101383649056
COc1ccccc1S(=O)(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-3.643353961976863
O=C(c1ccccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.230448921378274
Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-3.792391689498254
Cc1cnc(C)c(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,-1.5185139398778875
O=C(c1ccccc1-c1ccc(F)cc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.7596678446896306
Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-2.3502480183341627
Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2c(F)cccc2-n2nccn2)n1,-2.847572659142112
O=C(c1ccccc1-n1cccc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.869231719730976
O=C(c1ncccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.278753600952829
O=C1N(Cc2ccccc2-n2cccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.9148718175400505
Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1C,-1.3979400086720375
COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c1,-1.845098040014257
C[C@@H]1CS[C@@H](CSc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,-1.9912260756924949
Cc1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1,-2.9703468762300935
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)C3C2)c1,-1.7853298350107671
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,-1.4471580313422192
O=C(c1cc(Cl)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.093421685162235
Cc1cccc(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c1-n1nccn1,-2.8656960599160706
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,-2.711807229041191
Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)n1,-1.1760912590556811
Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(F)cccc2-c2ncccn2)n1,-1.9637878273455551
CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-1.977723605288848
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(C(N)=O)ccc1-n1nccn1,-2.1271047983648077
O=C1CCCC2(CCN(c3nc4ccccc4[nH]3)CC2)N1Cc1cccc2[nH]ccc12,-3.2942457161381182
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3s1)CC2,-2.250420002308894
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-1.845098040014257
COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)n1,-2.7403626894942437
COc1ccccc1-n1ccnc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-3.204119982655925
COc1cnc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,-3.681241237375587
O=C1N(Cc2ccccc2-n2nccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.591064607026499
CN(C)c1nc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)cc(C(F)(F)F)n1,-1.1760912590556811
C[C@@H]1CS[C@@H](COc2ccc(C(F)(F)F)cn2)CN1C(=O)c1ccccc1-n1nccn1,-1.8195439355418688
COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,-2.502427119984433
Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,-2.832508912706236
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4Cl)CC3C2)n1,-2.404833716619938
CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-1.57978359661681
COCc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-1.9822712330395684
C[C@@H]1CS[C@@H](COc2ccc(C#N)cn2)CN1C(=O)c1ccccc1-n1nccn1,-1.6720978579357175
N/N=C(/CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)Nc1ccccc1,-2.8603380065709936
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nc(C)no4)C[C@@H]32)n1,-1.7708520116421442
O=C1CCCC2(CCN(c3nc4ccc(Cl)cc4o3)CC2)N1Cc1cccc2[nH]ccc12,-2.0211892990699383
Cc1nc(N2CC3CN(C(=O)c4cccnc4-c4cc[nH]n4)CC3C2)nc(C)c1C,-1.3979400086720375
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.8847953639489807
Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C)c1Cl,-0.4771212547196624
COc1ccccc1S(=O)(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-2.255272505103306
O=C1N(Cc2cccc(C(F)(F)F)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.0492180226701815
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1nscc1-n1nccn1,-1.9731278535996983
COc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,-3.113943352306837
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4Br)C[C@@H]32)n1,-2.278753600952829
O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.03342375548695
Cc1nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)ncc1F,-1.2787536009528289
O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,-2.204119982655925
COc1cccc(OC)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.187520720836463
Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1,-3.4913616938342726
COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(C)ccc4-n4nccn4)CC3C2)n1,-2.0453229787866576
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,-2.6283889300503116
Cc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.204119982655925
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4F)CC3C2)n1,-1.3222192947339193
O=C(c1cncc2ccccc12)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.322219294733919
CCOc1ccccc1C(=O)N1CC2CN(c3nccc(OC)n3)CC2C1,-2.890979596989689
CCc1c(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc1C,-1.0
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(F)(F)F)cn2)C3)c1,-1.8512583487190752
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC32)n1,-2.991226075692495
COc1ccccc1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,-3.2581581933407944
O=C(O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,-4.0
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3cc(Cl)ccc3o1)CC2,-2.7193312869837265
O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.041392685158225
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-n1nccn1,-0.7708520116421442
Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-2.24551266781415
COc1cc(OC)nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,-1.7634279935629371
CCc1c(C)nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc1C,-1.6232492903979006
Cc1ccc(C(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)c(C)c1,-3.3246939138617746
COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-1.863322860120456
CN1CCc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,-2.803457115648414
Cn1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2ccccc21,-1.462397997898956
CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.009450895798694
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnc2)C3)n1,-3.380211241711606
Cc1cc(OCC2COCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F,-1.041392685158225
Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)cn1,-2.5563025007672873
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1,-1.9138138523837167
CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-1.6532125137753435
Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-1.230448921378274
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OCCO)cc1-n1nccn1,-4.037027879755775
COc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,-3.7044936970092985
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.591064607026499
Cc1cnc(C)c(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.6812412373755872
Cc1ccc(-c2ccccc2C(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)cc1,-1.6434526764861874
Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)ncc1F,-1.2787536009528289
O=C1N(Cn2nnc3ccccc32)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.4800069429571505
Cc1cncc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,-2.060697840353612
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4nc(C)no4)CC3C2)n1,-1.57978359661681
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(C)nc4-n4ccnn4)CC3C2)n1,-2.459392487759231
O=C(c1ccccc1-n1nccn1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-1.3010299956639813
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)CC3C2)n1,-1.9084850188786495
Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,-0.9867717342662448
O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,-2.9956351945975497
Cc1cc(N2CCOCC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-3.4913616938342726
Cc1cccc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,-2.9777236052888476
O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.0863598306747484
COc1cc(Cl)ccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.5588285248170117
Cc1nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)cc(=O)[nH]1,-4.0
COc1ccnc(N2CC3CN(C(=O)c4c(OC)ccc5ccccc45)CC3C2)n1,-2.2380461031287955
Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)nc(C)c1C,-0.8450980400142568
COc1ccc2nc(N3CC4CN(C(=O)c5ccccc5-c5ccccc5)CC4C3)sc2c1,-3.3585059114902354
CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.690196080028514
Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1,-3.05307844348342
COc1ccc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1,-3.875119165462568
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.2380461031287955
O=C1C(Cc2c[nH]c3ccccc23)NCCC12CCN(c1nccc(-n3cccn3)n1)CC2,-1.505149978319906
Cc1ccc2nc(N3CC4CN(C(=O)c5ccccc5-c5ccccc5)CC4C3)sc2c1,-3.4163075870598827
COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.7242758696007892
COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,-1.2041199826559248
O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.361727836017593
N#Cc1ccc(F)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.1522883443830563
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1,-2.225309281725863
Cc1cccc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,-1.7708520116421442
O=C(c1cccc(F)c1-c1ncccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,-2.3483048630481607
O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.089905111439398
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,-2.342422680822206
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4ccnn4)CC3C2)n1,-3.5036545192429593
Cc1cnc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)o1,-0.8450980400142568
COc1cc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2nccn2)cc1OC,-3.9770831203158528
O=C(c1ccccc1-n1cccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.595496221825574
O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(NC4CC4)ncn3)[C@H]2C1,-2.8129133566428557
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5c4OCCCO5)CC3C2)n1,-2.4424797690644486
Cc1ccc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1,-3.4913616938342726
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc3occc13)CC2,-1.3617278360175928
CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(OC)n3)CC2C1,-1.9030899869919435
Cc1ccnc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-1.5563025007672873
O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,-2.110589710299249
COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-2.838849090737255
COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2ccnn2)c1,-3.255272505103306
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccccc4o3)CC2C1,-3.015778756389041
COc1ccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)nc1,-2.954724790979063
Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1,-3.869173027321683
O=C(c1cccc2c1OCCO2)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.546542663478131
CN(C)c1nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)cc(C(F)(F)F)n1,-1.3424226808222062
O=C1N(Cc2ccccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.9206450014067875
Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-n1nccn1,-2.870403905279027
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4C(F)(F)F)CC3C2)n1,-2.655138434811382
Cc1cc(C)nc(N2CC3CN(C(=O)c4cnccc4-n4ccnn4)CC3C2)n1,-4.0
O=C1N(Cc2cccc(-c3cnccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.3617278360175928
Cc1ccc(-c2nc(C)no2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.792391689498254
Cc1cc(-n2cccn2)nc(N2CCC3(CCNC(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,-2.5352941200427703
Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)ncc1Cl,-1.0
Cc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc2ccccc12,-1.146128035678238
Cn1ncc(-c2ccccc2)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.462397997898956
Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1,-2.4099331233312946
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4Br)C[C@@H]32)n1,-3.113943352306837
C[C@@H]1CS(=O)(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,-2.6020599913279625
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncco4)CC3C2)n1,-1.230448921378274
Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3ccc(F)cc3-n3nccn3)C[C@@H]21,-4.0
O=C(c1ccccc1-c1ccccc1)N1CCC2CN(c3nc4ccccc4o3)C2C1,-2.146128035678238
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4cncc(C)n4)CC3C2)c1,-2.376576957056512
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4nccn4)C[C@@H]32)n1,-2.3010299956639813
Cc1ccc(C)c(S(=O)(=O)N2CCC3CN(c4nccc(-c5ccccc5)n4)C3C2)c1,-3.0277572046905536
Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1,-4.0
COc1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.6232492903979006
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4ccnn4)C[C@@H]32)n1,-3.1760912590556813
Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,-1.380211241711606
COc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)C2C1,-3.3832766504076504
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cnnc4)CC3C2)n1,-4.0
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)c5ccccc45)CC3C2)n1,-1.57978359661681
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)C3C2)c1,-2.2833012287035497
Cc1ccc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,-2.9190780923760737
Cc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1,-0.6532125137753437
O=C(c1ccc(F)cc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,-1.7781512503836436
COc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.146128035678238
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,-2.2648178230095364
Cc1nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)nc(C)c1C,-1.041392685158225
O=C1N(Cc2cccc3nsnc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9138138523837167
Cc1ccnc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-2.7075701760979363
COc1cc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2ccnn2)cc1OC,-4.0
COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,-3.0
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nc4ccccc4o3)CC2C1,-1.9395192526186185
O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-1.6989700043360187
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OC(F)F)cc1-n1nccn1,-1.8976270912904416
COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1,-2.423245873936808
COc1c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)ccc2ccccc12,-3.182129214052998
O=C1N(Cc2ccc3c(c2)OCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.6009728956867484
CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1nc(C)cc(C)n1)C2,-1.3424226808222062
O=C(c1cccc(F)c1I)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.869173027321683
O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc(F)cn3)CC2C1,-2.631443769013172
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(F)(F)F)cn2)C3)n1,-2.621176281775035
O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-1.4313637641589874
COc1ccc(C(=O)N2CC3CN(c4cccc(C)n4)CC3C2)c(OC)c1,-3.9541942518158626
O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,-1.255272505103306
O=C1N(Cc2ccccc2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,-3.0281644194244697
Cc1cccc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,-1.863322860120456
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,-2.8549130223078554
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,-3.6020599913279625
Cc1ccc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,-2.230448921378274
Cc1cncc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.6434526764861874
O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)[C@H]2C1,-1.3617278360175928
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)nn1)C2,-3.690196080028514
O=C(c1ccccc1-c1cccc(F)c1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.130333768495006
CN(C)c1nc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)cc(C(F)(F)F)n1,-1.2041199826559248
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3C2)n1,-3.344588742578714
COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2nccn2)n1,-2.57978359661681
CCOc1ccccc1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.7403626894942437
O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.838849090737255
CCOc1cccc(OCC)c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-2.503790683057181
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC32)n1,-2.593286067020457
O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,-3.0791812460476247
Cc1cc(C)n(-c2ccccc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)n1,-3.0802656273398448
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4I)CC3C2)n1,-1.7160033436347992
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccc(Cl)cc4s3)CC2C1,-3.113943352306837
CCOc1ncc(Br)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2,-2.7299742856995555
O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ncccc12,-2.606381365110605
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,-2.1522883443830563
Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C)n1,-3.6989700043360183
COc1cc(OC)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccccc4F)CC3C2)n1,-2.4983105537896004
Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cccc(F)c3-n3nccn3)C[C@@H]21,-4.0
O=C1N(Cc2ccnc(-n3cccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.919078092376074
Cc1oc(-c2cscn2)nc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.919601023784111
COc1ccc(C(C)(C)C)cc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-4.0
C[C@@H]1C[S+](O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,-2.230448921378274
COc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.0791812460476249
COc1cccc(OC)c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.0791812460476247
O=C1N(Cc2ccccc2C(F)(F)F)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.447158031342219
Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-1.6434526764861874
Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.795184589682424
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncc[nH]4)CC3C2)n1,-3.3420276880874717
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,-1.4471580313422192
Nc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,-3.146128035678238
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nc(C)no4)CC3C2)n1,-1.591064607026499
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4C)CC3C2)n1,-2.6989700043360187
Cc1cccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1-n1nccn1,-2.12057393120585
COc1ccc(C(=O)N2CC3CN(c4nc5ccccc5o4)CC3C2)c(OC)c1,-3.6989700043360183
O=C1N(Cc2ccnc(Br)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.655138434811382
O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(Br)cnc13)C2,-2.161368002234975
COc1ccccc1S(=O)(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-3.255272505103306
Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)n1,-2.9777236052888476
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cnoc4-c4ccccc4)C[C@@H]32)n1,-3.113943352306837
CN1CCOc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,-2.7752462597402365
COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C)ccn4)[C@H]3C2)c1,-2.3180633349627615
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4Br)CC3C2)n1,-2.710117365111816
CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,-1.4471580313422192
Cc1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.1760912590556811
COc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1F,-2.3521825181113627
Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ccco4)CC32)n1,-0.6020599913279624
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,-2.8254261177678233
Cc1cc(C)cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.05307844348342
Cc1ccnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1,-2.322219294733919
N=C(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccc1N,-0.9542425094393248
Cc1ccc(C(=O)N2CC[C@H]3CN(c4nccc(C(F)(F)F)n4)[C@H]3C2)c(-n2ccnn2)n1,-2.361727836017593
O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.414973347970818
Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1,-3.041392685158225
C[C@@H]1CS[C@@H](COc2ncccc2C#N)CN1C(=O)c1ccccc1-n1nccn1,-2.1760912590556813
Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1,-2.0569048513364727
O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.859138297294531
Cc1cc(N(C)C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,-2.625312450961674
Cc1ccc2oc(N3CCC4(CCCC(=O)N4Cc4cccc5[nH]ccc45)CC3)nc2c1,-1.9084850188786495
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(C(F)(F)F)nc1-n1nccn1,-3.016615547557177
O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1nccc3occc13)CC2,-1.9084850188786495
O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2,-2.4409090820652177
COc1cc(OC)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.662757831681574
O=C1N(Cc2cccc3c2OCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.5440680443502757
COc1ccnc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,-1.9637878273455551
O=C1N(Cc2cc(=O)[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.8000293592441343
CCOc1ccccc1C(=O)N1C2CCC1C(COc1nc(C)cc(C)n1)C2,-2.403120521175818
CN(C)c1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.8260748027008264
COC(=O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,-2.6989700043360187
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(Br)cn2)C3)n1,-2.2833012287035497
Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4cc(C(C)C)ccc4-n4nccn4)CC3C2)n1,-2.462397997898956
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4C(C)C)CC3C2)n1,-2.7331972651065692
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,-2.1931245983544616
Cc1ccnc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)c1,-1.8388490907372552
COc1cccc(OC)c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.667452952889954
Cc1ccc(C)c(S(=O)(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)c1,-3.577491799837225
COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1,-1.7160033436347992
CN(C)C(=O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,-4.0
Cc1cccc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c1-n1nccn1,-1.9590413923210936
Cc1nc(C(=O)N2CC3CN(c4cnc5ccccc5n4)C3C2)c(-c2ccccc2F)s1,-2.699837725867246
Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,-2.41161970596323
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1,-1.591064607026499
COc1ccc(C(=O)N2CC3CN(c4cc(N(C)C)nc(C)n4)CC3C2)c(-n2nccn2)c1,-1.4471580313422192
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,-1.9084850188786495
CN(C)c1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-2.004321373782642
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)n1,-2.075546961392531
O=C(c1cc(CO)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.3636119798921444
Cn1ccc2c(CN3C(=O)CCCC34CCN(c3cnc5ccccc5n3)CC4)cccc21,-1.6812412373755872
Cn1ccc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,-2.225309281725863
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1nc3cc(Cl)ccc3o1)C2,-2.6766936096248664
C[C@@H]1CS[C@@H](COc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,-1.1846914308175989
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5=O)C[C@@H]32)n1,-2.869231719730976
Cc1cc(-c2ccco2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-2.9334872878487053
Cc1nc2ccccc2nc1N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1,-2.7283537820212285
COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(C2CC2)n1,-1.0606978403536118
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccnc5ncccc45)C[C@@H]32)n1,-4.0
Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1,-2.6201360549737576
Cc1cc(OCC2CCCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F,-1.0
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-n1nccn1,-0.5440680443502757
O=C1N(Cc2cccc(N3CCCC3)n2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-3.074816440645175
Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1,-3.361727836017593
COc1cc(C)ccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.469380135849925
Cc1nc(N)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-2.361727836017593
COc1cc2ccccc2cc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.2052043639481447
Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(N(C)C)n1,-1.9590413923210936
COc1ccc(C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)c(-n2nccn2)c1,-1.230448921378274
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-1.5563025007672873
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-c1ncccn1,-0.3222192947339193
COc1ccnc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,-1.6532125137753435
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-1.6720978579357175
O=C(c1ncc(Cl)cc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-3.0
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2,-2.060697840353612
O=C1N(Cc2cccc3cnccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.1789769472931693
Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)on1,-3.322219294733919
Cc1cncc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,-1.740362689494244
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(Cl)c4)CC3C2)n1,-2.8715729355458786
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)CC3C2)n1,-3.9541942518158626
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC2C1,-3.0888445627270045
N#Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccc1F,-2.450249108319361
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc(-n3ccnc3)ncn1)CC2,-2.7363965022766426
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(I)ccc4-n4nccn4)CC3C2)n1,-1.3010299956639813
Cc1nc(N2CC3CN(C(=O)c4ccccc4C4=NN(C)CN4)CC3C2)ncc1Cl,-1.462397997898956
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cc(C)n2)C3)c1,-1.4313637641589874
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ccc(F)cn3)CC2C1,-2.096910013008056
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccn(C)n4)C[C@@H]32)n1,-1.5440680443502757
COc1cccc(CO)c1C(=O)N1CCC2CN(c3nccc(-c4ccccc4)n3)C2C1,-2.4099331233312946
Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(N(C)C)n1,-1.863322860120456
O=C(c1cc(F)ccc1-c1ncccn1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-1.7075701760979365
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cc(C)n2)C3)c1,-1.7708520116421442
O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-4.0
O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1ccccn1)C2,-3.402433346219312
Cc1ccc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1,-0.9867717342662448
Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)n1,-3.342422680822206
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-1.9084850188786495
Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)n1,-1.0
Cc1cccc(-c2sc(C)nc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.2121876044039577
O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1,-1.146128035678238
O=C1CC2(CCCN(Cc3c[nH]c4ccccc34)C2)CCN1c1nccc2ccccc12,-2.751279103983342
Cc1ccc(-c2nccs2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,-0.5797835966168101
O=S(=O)(c1ccccc1-c1ccccc1)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-4.0
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,-1.146128035678238
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1nc(C)cc(C)n1)C2,-2.690196080028514
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nc(Cl)ncc3F)CC2C1,-2.424881636631067
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccc(C)cc4)CC3C2)n1,-2.885926339801431
O=C1N(Cc2cc(-n3cccn3)ccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.4756711883244296
O=C(c1cccc(F)c1-c1cnccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.27415784926368
COc1ccc(C(=O)N2CC3CN(c4nc(C)c(F)c(C)n4)CC3C2)c(-n2nccn2)c1,-0.9542425094393248
O=C1N(Cc2c[nH]c3ncccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9637878273455551
O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1noc2ccccc12,-2.2671717284030137
Cc1nsc(-n2nccn2)c1C(=O)N1C[C@H](Oc2cc(C#N)ccn2)CC[C@H]1C,-2.1367205671564067
Cn1ncc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-c1ccccc1,-3.9868165045855366
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1,-3.5185139398778875
O=C(c1ccc(F)cc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.7708520116421442
Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)cn1,-2.3010299956639813
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-3.342422680822206
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3o1)CC2,-1.9912260756924949
CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.6283889300503116
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(Cl)cc1-n1nccn1,-0.0791812460476249
Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(C(F)(F)F)n1,-1.6989700043360187
COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1OC,-3.6989700043360183
COc1ccc(C(=O)N2CC3CN(c4nccc(OC)n4)CC3C2)c(OC)c1,-3.9541942518158626
CN(C)c1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,-2.041392685158225
Cc1cc(C2CC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.230448921378274
O=C(c1ccc(F)cc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.230448921378274
O=C1CCCC2(CCN(c3nnc(-c4ccccc4)o3)CC2)N1Cc1cccc2[nH]ccc12,-2.8169038393756605
COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(Cl)n1,-2.790988475088816
Cc1cnc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)cn1,-2.278753600952829
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc4ccccc4nc2C(F)(F)F)C3)c1,-2.6875289612146345
O=C1N(Cc2cc3ccccc3[nH]2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-3.2208922492195193
Cc1ccc2nc(N3CCC4(CCCN(Cc5c[nH]c6ccccc56)C4=O)CC3)[nH]c2c1,-2.683947130751512
Cc1cccc(-n2nccn2)c1C(=O)N1C[C@H](Oc2cc(C#N)ccn2)CC[C@H]1C,-0.3617278360175928
COc1ccnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.6334684555795866
COc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.2380461031287955
Cc1ccc(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c(-n2nccn2)n1,-3.863322860120456
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2,-3.230448921378274
COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c1,-2.7259116322950483
O=C(c1ccc(F)cc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.4983105537896004
Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.1760912590556811
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4cc[nH]n4)C[C@@H]32)n1,-0.9542425094393248
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2,-3.255272505103306
Cc1ccoc1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-4.0
COc1cc(OC)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1,-1.1139433523068367
O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,-2.041392685158225
Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1,-3.041392685158225
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1,-0.0
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4ccnn4)C[C@@H]32)n1,-1.845098040014257
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4-n4ccnn4)CC3C2)n1,-4.0
COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(C)cc(C)n4)[C@H]3C2)c(-n2nccn2)c1,-2.278753600952829
Cc1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.694605198933569
CN(C)c1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,-1.414973347970818
Cc1cnc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,-3.1760912590556813
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccc(N(C)C)nc4)C[C@@H]32)n1,-1.8573324964312683
Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.760422483423212
N#Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.812244696800369
Cn1c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)nc2ccccc21,-3.724275869600789
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nc4ccccc4o3)CC2C1,-1.7993405494535817
O=C1N(Cc2cccc3cccnc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.3283796034387376
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4C)CC3C2)n1,-2.6263403673750423
Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc(C)c1Cl,-0.6020599913279624
O=C(c1cccc2cc[nH]c12)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.6522463410033232
Cc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-2.0086001717619175
Cc1cccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1,-2.27415784926368
O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.5514499979728753
Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@@H]32)cn1,-2.6232492903979003
O=C1N(Cc2nccn2Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.5705429398818973
Cc1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C,-1.380211241711606
Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(N(C)C)n1,-2.075546961392531
O=C1CCCC2(CCN(c3nc4cc(Cl)ccc4o3)CC2)N1Cc1cccc2[nH]ccc12,-1.041392685158225
O=C(c1ccccc1-c1cccnc1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-2.0569048513364727
Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)nc(C(F)(F)F)n1,-1.6989700043360187
Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1,-2.459392487759231
Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C)n1,-2.9370161074648142
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C)n2)C3)c1,-1.6434526764861874
O=C1N(Cc2cccc(-n3cccn3)n2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9030899869919435
Cc1nnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)c2ccccc12,-2.505149978319906
Cc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)c1,-0.568201724066995
Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1,-2.3384564936046046
O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.7151673578484576
COc1ccc(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c(-n2nccn2)c1,-1.3424226808222062
Cc1onc(-c2ccccc2)c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-1.944482672150169
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,-1.8388490907372552
O=C(c1cccc2cccnc12)N1C2CCC1C(COc1ccc(F)cn1)C2,-3.1760912590556813
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-c1ncccn1,-0.5440680443502757
COc1cnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1Cl,-2.1903316981702914
O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.550228353055094
Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)on1,-3.462397997898956
O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-3.1179338350396413
Cc1cc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)nc(C(F)(F)F)n1,-2.716003343634799
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,-1.462397997898956
CN(C)c1nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,-1.1760912590556811
Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,-2.643452676486187
CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1,-3.9541942518158626
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-n1nccn1,-0.5314789170422551
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(Br)cn2)C3)n1,-3.041392685158225
O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.9800033715837464
Cc1ccc(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1,-3.505149978319906
Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C)c1C,-0.6020599913279624
Cc1ccc(N)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.1367205671564067
Cc1cnc(C)c(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,-1.6232492903979006
Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3nnc[nH]3)CC2C1,-2.3324384599156054
COc1ccnc(N2CC3CN(C(=O)c4cccc5ccccc45)CC3C2)n1,-2.3560258571931225
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,-2.27415784926368
COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1nc(C)cc(C)n1)C2,-3.6989700043360183
O=C1N(Cc2cccc3c2OCCN3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.7442929831226763
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnc2C)C3)n1,-3.342422680822206
Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2ccccc2n1,-2.450249108319361
COc1ccc(Br)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,-2.146128035678238
Cc1ccc(-n2nccn2)cc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-1.863322860120456
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,-2.6693168805661123
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccccn1)C2,-3.9541942518158626
Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1,-3.812913356642856
O=C1N(Cc2cccnc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.8561244442423
O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1nccc(C(F)(F)F)n1)C2,-2.838849090737255
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4cccn4)C[C@@H]32)n1,-1.5563025007672873
O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.6532125137753435
COc1ccccc1C(=O)N1CC2CN(c3nc4ccccc4o3)CC2C1,-3.361727836017593
Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(C)C)n1,-3.0874264570362855
Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3cccs3)CC2C1,-2.357934847000454
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4OC(F)(F)F)CC3C2)n1,-1.7853298350107671
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Br)ccc1-n1nccn1,-0.9590413923210936
Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1,-2.4771212547196626
N#Cc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-3.9541942518158626
Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-0.9542425094393248
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1,-1.414973347970818
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncco4)CC3C2)n1,-1.2787536009528289
Cc1cc(C)nc(N2CC3CN(C(=O)c4cnnc5ccccc45)CC3C2)n1,-3.6989700043360183
Cc1cc(C(=O)O)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-3.9541942518158626
Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc(C)c1C,-0.8450980400142568
COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-c2ncccn2)c1,-1.5185139398778875
Cc1cccc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,-1.9242792860618816
Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1,-3.770778396169148
COc1ccc(C(=O)N2CC3CN(c4ncc5cc(F)ccc5n4)CC3C2)c(-n2nccn2)c1,-1.4771212547196624
Cc1nc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)ncc1Cl,-1.505149978319906
Cc1cnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1Cl,-0.8692317197309762
Cc1noc(-c2ccccc2)c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.1398790864012365
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4F)CC3C2)n1,-3.6989700043360183
O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1cnc3ccccc3n1)C2,-3.0
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccc4F)CC3C2)n1,-2.0791812460476247
Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-2.9242792860618816
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1,-1.6434526764861874
Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,-1.7481880270062005
Cc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,-3.16790781000148
O=C1N(Cc2cncn2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.975431808509263
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,-1.8750612633917
Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,-2.437750562820388
CNc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,-3.041392685158225
CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)C2C1,-1.6232492903979006
O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,-3.0
Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4cc(C(F)(F)F)nc(N(C)C)n4)CC3C2)c1,-1.7558748556724917
COc1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.568201724066995
O=C1N(Cc2cccc(-n3cccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.6901960800285136
Cc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.041392685158225
O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.662757831681574
CN(C)c1nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,-1.4471580313422192
CCCc1nc(C)cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-3.9541942518158626
CNc1nc(C)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-2.4913616938342726
O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cccc(C(F)(F)F)n1)C2,-2.292256071356476
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C(F)(F)F)cn1)C2,-3.6720978579357175
COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1C,-2.884228769632604
Cc1cnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)c1,-3.568201724066995
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)n1,-1.0
O=C(c1ccc(F)cc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.505149978319906
O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nc4ccccc4o3)CC2C1,-2.4082399653118496
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(-c5ccccc5)noc4C)C[C@@H]32)n1,-2.6884198220027105
Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-c4ccccc4)CC3C2)n1,-3.322219294733919
C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,0.0457574905606751
Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)n1,-2.6473829701146196
Cc1nc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ccc(F)cc2)s1,-2.3710678622717363
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ccc3ccccc3n1)CC2,-1.8325089127062364
Cc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,-1.146128035678238
Cc1ccc(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c(-n2ccnn2)n1,-3.505149978319906
Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.8512583487190752
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,-2.903089986991944
Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc2c1CCC2,-0.8450980400142568
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cnc4ccccc4n3)C2C1,-1.8864907251724816
Cc1ncc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2c1OC(C)(C)OC2,-2.3961993470957363
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc3nccnc3cn1)CC2,-1.9084850188786495
CN(C)c1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.5185139398778875
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-c1ncccn1,-1.0934216851622351
O=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.214843848047698
Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1Cl,-1.2041199826559248
Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,-3.662757831681574
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc(-c3ccncc3)n1)CC2,-2.1931245983544616
Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-c4nc(C)no4)CC3C2)n1,-2.9731278535996988
Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c5c(n4)CCC5)CC3C2)n1,-1.255272505103306
COc1ccc(C(=O)N2CC3CN(c4nc5ccccc5s4)CC3C2)c(OC)c1,-2.863322860120456
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1,-0.8450980400142568
COc1ccnc(N2CC3CN(C(=O)c4ccc(F)c5ccccc45)CC3C2)n1,-2.2227164711475833
Cc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)n1,-2.2095150145426308
O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)[C@H]2C1,-2.568201724066995
Cc1cc(C)nc(N2CC3CN(C(=O)c4sccc4-n4cccc4)CC3C2)n1,-2.733999286538387
COc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1OC,-2.893206753059848
Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3c(F)cccc3-n3nccn3)C[C@@H]21,-4.0
Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1,-3.0791812460476247
Cc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.9731278535996983
Cc1cc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]32)nc(C(F)(F)F)n1,-1.9242792860618816
Cc1nc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c(-c2cccc(F)c2)s1,-1.740362689494244
Cc1cc(C)nc(NCC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)n1,-2.709269960975831
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4Br)CC32)n1,-3.021602716028242
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.869173027321683
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ccccn4)CC3C2)n1,-1.1760912590556811
O=C1N(Cc2cnc3ccccn23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.41161970596323
CCc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-0.7781512503836436
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5cccnc45)CC3C2)n1,-3.1577588860468637
Cc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.456366033129043
Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ncccn4)CC32)n1,-1.3222192947339193
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cccc(C(F)(F)F)n1)C2,-2.866877814337499
Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)COCC2C)c1,-0.9395192526186184
Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(C)noc2-c2ccccc2)n1,-3.0802656273398448
Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)n1,-3.3010299956639813
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)SC[C@H]2C)c1,0.4202164033831898
Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,-2.4771212547196626
Cc1cnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)c(C)n1,-2.762678563727436
Cc1cc(=O)[nH]c(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-3.9541942518158626
Cc1[nH]c2ccccc2c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.3873898263387296
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2,-3.255272505103306
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ncccc3C(F)(F)F)CC2C1,-2.075546961392531
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)ccc5c4OCO5)CC3C2)n1,-2.012837224705172
O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.7466341989375787
O=C(c1cccc(F)c1Br)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,-2.8129133566428557
Cc1ccc(-c2ccccc2C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)cc1,-3.0409976924234905
CCCOc1ncccc1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-4.0
Cc1cc(C)nc(N2CC3CN(C(=O)c4ncoc4-c4ccccc4)CC3C2)n1,-2.681241237375587
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4cc[nH]n4)CC3C2)n1,-1.8388490907372552
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4nccn4)C[C@@H]32)n1,-2.361727836017593
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c[nH]nc4-c4ccccc4)C[C@@H]32)n1,-3.778078861937455
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,-2.7067177823367587
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)c(F)cc4-n4nccn4)CC3C2)n1,-2.103803720955957
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cc(C)nc(C(F)(F)F)n2)C3)c1,-1.505149978319906
O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1,-1.2041199826559248
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C(F)(F)F)nc4-n4ccnn4)C[C@@H]32)n1,-2.7323937598229686
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c1,-1.740362689494244
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4cn[nH]c4)n3)CC2C1,-1.6232492903979006
Cc1cccc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,-2.7558748556724915
Cc1nc(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)C3C2)c(-c2ccccc2F)s1,-2.1367205671564067
COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2ccnn2)n1,-2.845098040014257
O=C1N(Cc2cccc(-n3ccnn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.392696953259666
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ccccn4)CC3C2)n1,-1.3617278360175928
Cn1cc(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c2cccnc21,-1.591064607026499
CCOc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)c1,-3.592731766393962
O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.230448921378274
O=C(c1ccccc1Br)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.7895807121644256
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cc(C(F)(F)F)ccn1)C2,-2.1072099696478683
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ncccn4)CC3C2)n1,-2.7481880270062
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4cccc(Cl)c4)C[C@@H]32)n1,-2.100370545117563
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4C#N)CC3C2)n1,-3.6989700043360183
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4C)CC3C2)n1,-2.9222062774390163
Cc1ccnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)c1,-2.2833012287035497
Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4cccs4)CC32)n1,-0.6020599913279624
Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)on1,-2.2405492482825995
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4Br)CC3C2)n1,-2.578639209968072
O=C(c1cccc(F)c1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,-1.591064607026499
O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.089905111439398
Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,-1.5314789170422551
Cc1ccc(-c2sc(C)nc2C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)cc1,-1.792391689498254
Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)[nH]c(=O)n1,-4.0
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1,-1.9542425094393248
Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(N(C)C)n1,-1.9542425094393248
Cc1ccc(-n2nccn2)c(C(=O)N2CCCCC(COc3ccc(F)c(C)c3)C2)c1,-0.8976270912904414
O=C(c1ccc(F)cc1-c1ncccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,-3.113943352306837
Cc1cncc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@@H]32)n1,-2.693726948923647
Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-n4nccn4)CC3C2)nc(C)c1C,-0.8450980400142568
COc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-0.9542425094393248
O=C(c1ccccc1-n1cccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.6180480967120925
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4Br)CC32)n1,-3.969509098596567
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncnn4C)CC3C2)n1,-4.0
Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2ccc(F)cc2-n2nccn2)n1,-2.7427251313046983
Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,-1.1139433523068367
COc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.3783979009481375
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4cn[nH]c4)n3)CC2C1,-2.3502480183341627
O=C1N(Cc2ncoc2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-0.9030899869919436
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4nc(C)no4)CC3C2)n1,-1.1139433523068367
O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.230448921378274
COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c1,-1.7634279935629371
Cc1cnc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,-2.568201724066995
Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)n1,-1.1139433523068367
COc1cccc(OC)c1C(=O)N1CC2CN(c3nc4ccccc4o3)CC2C1,-3.006466042249232
Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cc(F)ccc3-n3nccn3)C[C@@H]21,-4.0
COc1cccc(OC)c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.9304395947667
O=C(c1ccccc1-c1ccco1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-1.0
O=C(c1occc1-c1ccccc1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.57978359661681
Cc1ccc(C)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.311753861055754
Cc1cc(C(=O)N(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-2.423245873936808
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cncnc4)C[C@@H]32)n1,-2.7403626894942437
CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.041392685158225
Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)nc1,-3.0791812460476247
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4cccn4)C[C@@H]32)n1,-1.7558748556724917
Cc1ccc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)nc1,-2.3979400086720375
O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(C(F)(F)F)nnc13)C2,-3.4082399653118496
C[C@@H]1CS[C@@H](COc2ccc(Cl)cn2)CN1C(=O)c1ccccc1-n1nccn1,-0.2304489213782739
Cc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1,-3.0791812460476247
O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.3891660843645326
Cc1cc(C)nc(N2CC3CN(S(=O)(=O)c4ccccc4-c4ccccc4)CC3C2)n1,-2.361727836017593
O=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,-3.5185139398778875
Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21,-4.0
O=C1N(Cc2cccc(-c3ccncc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.3364597338485296
Cc1cc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc2[nH]1,-1.5440680443502757
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)c1,-2.0170333392987803
Cc1cc(N(C)C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.7075701760979365
O=C1N(Cc2cccc(-c3ccccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.6720978579357175
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccn2)C3)n1,-3.690196080028514
Cc1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.4471580313422192
O=C1N(Cc2cccc(-c3cccnc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.3424226808222062
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4nccnc4-c4ccccc4)C[C@@H]32)n1,-2.439332693830263
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1,-2.583198773968623
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1,-2.792391689498254
O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cccc(C(F)(F)F)n3)[C@H]2C1,-1.5563025007672873
O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,-2.8407332346118066
O=C(c1cc(F)ccc1-c1ccn[nH]1)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.99563519459755
COc1ccc2nc(N3CCC4(CCCN(Cc5c[nH]c6ccccc56)C4=O)CC3)[nH]c2c1,-2.8721562727482928
COc1cnc(C)nc1C(=O)N1CC[C@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1,-4.0
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncco4)CC3C2)n1,-1.2787536009528289
COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-n1nccn1,-3.1760912590556813
CCc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.858537197569639
Cn1ncc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,-2.292256071356476
Cc1nccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-3.4771212547196626
Cc1ccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc1,-2.3979400086720375
Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4cc(C)nc(C(F)(F)F)n4)CC3C2)c1,-1.977723605288848
O=C1N(Cc2cc(F)cc3c2OCOC3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.096910013008056
Cc1cc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)nc(C)n1,-3.6989700043360183
Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.5185139398778875
COc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ncccn2)c1,-3.7481880270062
Cc1ccc(C(F)(F)F)c(C(=O)N2CC[C@H]3CN(c4ccnc(-c5ccccc5)n4)[C@H]3C2)c1,-1.4471580313422192
Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncccn1,-2.515873843711679
Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c(Cl)c(C)n4)CC3C2)n1,-0.6989700043360189
COc1ccc(C(=O)N2CC3CN(c4nccc(C)n4)CC3C2)c(OC)c1,-4.0
Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1C,-2.392696953259666
COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c(-n2nccn2)c1,-2.4756711883244296
O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9242792860618816
Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-3.568201724066995
Cc1cccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-2.173186268412274
COc1cccc(CO)c1C(=O)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-2.320146286111054
O=C(c1ccccc1Br)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-2.1583624920952498
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-n1nccn1,-1.1760912590556811
Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)n1,-1.9822712330395684
COc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.8129133566428557
COc1ccc(C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)c(C)c1,-3.0655797147284485
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-c1ncccn1,-0.7708520116421442
CN(C)c1nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)cc(C(F)(F)F)n1,-1.662757831681574
COc1cc(OC)nc(N2CC3CN(C(=O)c4ncccc4-c4ccccc4)CC3C2)n1,-3.9541942518158626
Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccccc4F)CC3C2)n1,-2.096910013008056
Cc1cc(C)nc(N2CC3CCN(C(=O)c4cc(F)ccc4-c4ncccn4)CC32)n1,-1.3010299956639813
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,-1.8976270912904416
COc1ccc(C(=O)N2CC3CN(c4ncc(Cl)c(C)n4)CC3C2)c(-n2nccn2)c1,-1.0
Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1,-2.08278537031645
COc1ccc(C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)c(OC)c1,-3.424554976606714
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ccc(Br)cn2)C3)n1,-2.886490725172482
C/N=C(\CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccc1N,-2.747411807886423
O=C1N(Cc2ccccc2-c2ccco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.6532125137753435
Cc1cncc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,-2.2068258760318495
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Cl)ccc1-n1nccn1,-1.7558748556724917
O=C1N(Cc2cc(Cl)cc3c2OCOC3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.8686444383948255
COc1ccc(C(=O)N2CC3CN(c4cc(C)c5ccccc5n4)CC3C2)c(OC)c1,-2.975431808509263
O=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,-3.230448921378274
Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-c2ccccc2F)s1,-1.7781512503836436
O=C1N(Cc2cccc(-n3nccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.1139433523068367
Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)nc1,-2.6283889300503116
O=C1N(Cc2cccc3nonc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9912260756924949
CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,-1.806179973983887
COc1ccc(C(=O)N2CC3CN(c4ncc(C)c(C)n4)CC3C2)c(-n2nccn2)c1,-1.1760912590556811
O=C1N(Cc2ccccc2-c2ncco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.2787536009528289
Cc1nc(-c2ccccc2)oc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.4638929889859074
COc1ccc(-c2ncccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,-2.2671717284030137
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.6989700043360187
O=C1N(Cc2cccc(-c3ccccc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.7075701760979365
Cc1cc(C)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,-3.0141003215196207
O=C(c1ccccc1-c1cccnc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-3.5519376953648374
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncccn4)CC3C2)n1,-1.8325089127062364
Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-c4ncccn4)CC32)n1,-1.462397997898956
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(C)nc4-n4nccn4)CC3C2)n1,-2.6875289612146345
COc1cccc(OC)c1C(=O)N1CC2CN(c3nc4ccc(Cl)cc4s3)CC2C1,-3.204119982655925
CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(OC)cc(OC)n3)C2C1,-2.037426497940624
Cc1ccc2ccccc2c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-1.9637878273455551
CCOc1nccc(C)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.5563025007672873
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-n1nccn1,-0.7403626894942439
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4Br)CC3C2)n1,-4.0
O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-3.0145205387579237
O=C(c1cccc(F)c1-n1nccn1)N1CC2CN(c3ncc4cc(F)c(F)cc4n3)CC2C1,-1.255272505103306
CC(c1c[nH]c2ccccc12)N1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.2671717284030137
O=C1N(Cc2cccc3c2CCN3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.4265112613645754
O=C1N(Cc2ccnc(N3CCOCC3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.683947130751512
CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)c1,-3.4488608456074408
COc1cccc(CO)c1C(=O)N1CCC2CN(c3nc4ccccc4o3)C2C1,-2.4533183400470375
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cccc(C(F)(F)F)n3)CC2C1,-2.4638929889859074
Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,-0.5185139398778874
CN(C)c1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.6232492903979006
Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-2.9222062774390163
Cc1cnc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,-3.612783856719735
COc1cccc(-n2cncc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-1.9294189257142929
Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-3.6020599913279625
O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3nc(C(F)(F)F)cc(C(F)(F)F)n3)CC2C1,-1.6127838567197357
Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4-c4ccccc4)CC3C2)n1,-1.9493900066449128
CCCOc1cccnc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.1760912590556813
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc(-c3ccccc3)ncn1)CC2,-2.060697840353612
Cc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)c1,-3.5563025007672873
CCOc1cccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.9294189257142929
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1,-1.230448921378274
O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-1.9912260756924949
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncc3ccccc3n1)CC2,-1.845098040014257
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,-2.3979400086720375
COc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.137354111370733
O=C1N(Cc2nccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.198657086954422
Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2ccnn2)n1,-3.8572721735640414
O=C(c1ccc(OC(F)F)cc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.982316469692065
COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)c1,-1.230448921378274
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5ccccc45)CC3C2)n1,-1.806179973983887
Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)n1,-0.8450980400142568
Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ccccn4)CC3C2)n1,-2.255272505103306
CCCOc1cccnc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-3.4913616938342726
CC(=N)OC(=N)c1ccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cc1,-3.092018470752797
Cc1cccc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,-1.9637878273455551
Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,-3.255272505103306
CCc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-2.374748346010104
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-c1ncccn1,-0.3222192947339193
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1,-2.0293837776852097
Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)ncc1F,-1.8976270912904416
O=C(c1ccccc1-c1cccs1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-0.8450980400142568
COc1ccc(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c(OC)c1,-2.6138418218760693
Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-n4cccc4)CC32)n1,-1.1760912590556811
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3c1)CC2,-1.505149978319906
O=C(c1ccccc1Br)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.747411807886423
O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,-3.1760912590556813
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4ccnn4)C[C@@H]32)n1,-2.230448921378274
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,-2.12057393120585
Cc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,-2.531478917042255
COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2nccn2)c1,-1.041392685158225
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,-2.808885867359812
Cc1cnc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)c1,-3.4313637641589874
Cc1ccnc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-1.6232492903979006
Cc1ccc(C)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-2.8027737252919755
Cc1cc(C)nc(N2CC3CN(C(=O)c4cnoc4-c4ccccc4)CC3C2)n1,-2.496929648073215
CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-2.342422680822206
CCOc1ccnc(OCC)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-2.1760912590556813
Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-3.110252917353403
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4cc[nH]n4)CC3C2)n1,-0.9030899869919436
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-1.8750612633917
CCOc1ccc(OCC)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-2.2648178230095364
Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-3.041392685158225
Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccn2)n1,-2.741939077729199
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ccc(-c3nccs3)cn1)CC2,-2.8530895298518657
O=C1N(Cc2ccc(-c3ncccn3)cc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-3.14050804303818
Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)nc1,-3.591064607026499
Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1F,-1.2041199826559248
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)c1,-1.5563025007672873
O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2,-3.361727836017593
Cc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1,-3.1760912590556813
COc1ccc(C(=O)N2CC3CN(c4cc(N(C)C)ncn4)CC3C2)c(-n2nccn2)c1,-2.278753600952829
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4C(F)(F)F)CC3C2)n1,-3.322219294733919
COc1cccc(OC)c1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-4.0
Cc1nc2ccccn2c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.66838591669
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4ccccc4F)C[C@@H]32)n1,-2.531478917042255
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC32)n1,-2.2121876044039577
Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)n1,-1.041392685158225
Cc1cnc(-n2ccnn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,-2.447158031342219
O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nc4ccccc4nc3C(F)(F)F)CC2C1,-2.741151598851785
O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,-1.2041199826559248
O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,-2.100370545117563
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.9542425094393248
O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc([N+](=O)[O-])cn3)CC2C1,-2.678518379040114
COc1ccc(-c2nnc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)o2)cc1,-3.07040732174012
Cc1ccc(-c2ncco2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,-1.1139433523068367
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccnc4C(F)(F)F)C[C@@H]32)n1,-2.342422680822206
O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.4771212547196624
CNc1c(C=N)cccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.060697840353612
O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1,-1.041392685158225
O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,-1.4913616938342726
COc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,-3.9444826721501687
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4C)CC3C2)n1,-2.606381365110605
Cc1ccn2c(C)cnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.929418925714293
N#Cc1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.146128035678238
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)CC3C2)n1,-4.0
O=C(c1cccc(F)c1-c1ccncc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.568201724066995
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)n1,-3.0791812460476247
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,-2.3820170425748683
Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1,-1.57978359661681
Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)nc(C(F)(F)F)n1,-1.8325089127062364
Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4C)CC3C2)n1,-4.0
O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.8750612633917
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)n1,-1.414973347970818
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@@H]32)n1,-1.740362689494244
O=C1N(Cc2cncn2Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.294466226161593
Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,-3.0791812460476247
N=C(/C=C\c1ncc[nH]1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1,-2.2648178230095364
O=C1N(Cc2ccccc2-c2ncccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.829303772831025
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cn(C)nc1-n1nccn1,-2.1789769472931693
O=C1N(Cc2cccc(-c3ncccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.792391689498254
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccnn4-c4ccccc4)CC3C2)n1,-2.230448921378274
Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)n1,-1.806179973983887
Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)n1,-2.5185139398778875
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4nccn4)C[C@@H]32)n1,-1.1760912590556811
Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccn1,-2.9190780923760737
O=C(c1cccc(F)c1-c1cccnn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.6232492903979
COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C)cc(C)n4)[C@H]3C2)c1,-1.230448921378274
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4snnc4C)C[C@@H]32)n1,-3.812913356642856
COc1ccnc(N2CC3CN(C(=O)c4ccccc4OC)CC3C2)n1,-3.577146984827525
Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)nc2ccccc12,-2.089905111439398
C[C@@H]1CC[C@@H](Oc2cccc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1,-1.2631624649622166
Cc1cccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c1-n1nccn1,-0.4771212547196624
Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1,-2.5118833609788744
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1,-3.6020599913279625
C[C@@H]1CS[C@@H](COc2ncccc2Cl)CN1C(=O)c1ccccc1-n1nccn1,-0.3979400086720376
Cc1noc(-c2c(F)cccc2C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)n1,-2.576341350205793
CNc1ccccc1C(=N)CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.3263358609287517
COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-n1ccnn1,-4.0
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4F)CC3C2)n1,-3.6989700043360183
COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2,-3.8260748027008264
COc1c(F)cccc1C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2,-3.643353961976863
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@@H]32)n1,-1.6812412373755872
Cc1cccc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1,-2.4771212547196626
O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.173186268412274
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c1,-1.6232492903979006
Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.530199698203082
Cc1cc(C#N)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.3617278360175928
COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)n1,-1.1760912590556811
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5c4-c4ccccc4C5)CC3C2)n1,-0.9030899869919436
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncccc4F)CC3C2)n1,-1.3979400086720375
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4C)CC3C2)n1,-3.531478917042255
Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1,-4.0
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,-2.530199698203082
Cc1ccc(-c2ccccc2C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)cc1,-3.0629578340845103
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-n4ccnn4)CC3C2)n1,-3.146128035678238
CN(C)c1nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,-1.7160033436347992
Cc1ccc(-n2ccc(C)n2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.41161970596323
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Nc3nccc4ccccc34)CC[C@H]2C)c1,0.2518119729937995
Cc1ncnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-3.230448921378274
Cc1ccc(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1,-3.662757831681574
Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3ccccc3)CC2C1,-2.6522463410033232
Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(C)n1,-1.1139433523068367
Cc1ccnc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1,-2.3324384599156054
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4cc(C)on4)C[C@@H]32)n1,-3.041392685158225
Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4Cl)CC3C2)n1,-2.037426497940624
COc1ccccc1C(=O)N1CC2CN(c3nccc(C)n3)CC2C1,-4.0
CCOc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-1.8750612633917
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)n1,-2.369215857410143
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)C2C1,-2.2528530309798933
Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)n1,-2.0569048513364727
Cc1cc(C)nc(N2CC3CN(C(=O)c4sccc4-c4ccccc4)CC3C2)n1,-1.662757831681574
Cc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-c2ncccn2)c1,-3.0
N=CC(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccn1,-2.3654879848909
Cc1cc(C)nc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-3.132899769944483
COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,-0.0
COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cc1OC,-0.2999429000227671
COc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1OC,0.100015437450609
COc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,-1.4000196350651586
COc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3F)c3ccccc3S2(=O)=O)cc1OC,-1.0
COc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1OC,-0.8000293592441343
COc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1OC,-1.899984562549391
COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3OC)c3ccccc3S2(=O)=O)cc1OC,-0.8000293592441343
COc1ccc(N2C(=O)N(Cc3c(F)cc(C)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,0.100015437450609
COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,0.2999889376778876
COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(Cl)c1,1.0
COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cnc1OC,-0.7000110623221123
COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cc(OC)n1,-0.1000257301078625
COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3Cl)c3ccccc3S2(=O)=O)cnc1OC,-0.2000292665537703
COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)ccn1,-1.8000293592441343
COc1cc(F)c(CN2C(=O)N(c3cc(OC)nc(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,0.5999803649348415
COc1cc(F)c(CN2C(=O)N(c3cnc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,0.400007822415902
COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)n3)S(=O)(=O)c3ccccc32)c(F)c1,0.700057099977233
CNc1cc(N2C(=O)N(Cc3c(F)cc(OC)cc3F)c3ncccc3S2(=O)=O)cnc1OC,0.1999706407558656
COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)nc1OC,-0.2000292665537703
COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)cnc1OC,-0.57541879121436
COc1ccc(N2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1OC,-2.400002345927956
COc1ccc(NC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC,-1.255272505103306
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC,-2.6201360549737576
C[C@@H]1CC[C@@H](Oc2ccc3ccccc3n2)CN1C(=O)c1ccccc1-n1nccn1,-0.9542425094393248
O=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Oc2ccc3ccccc3n2)C1,-1.4313637641589874
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nccc3ccccc23)C1,-0.4471580313422192
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cc3ccccc3cn2)C1,-2.578639209968072
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccnc3ccccc23)C1,-2.4424797690644486
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ncc3ccccc3n2)C1,-3.167317334748176
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cnc3ccccc3n2)C1,-2.9698816437465
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nc3ccccc3o2)C1,-2.6693168805661123
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nc3ccccc3s2)C1,-2.342422680822206
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccccn2)C1,-3.016197353512439
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cccc(C(F)(F)F)n2)C1,-2.957607287060095
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccc(C(F)(F)F)cn2)C1,-2.6693168805661123
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cc(C(F)(F)F)ccn2)C1,-1.146128035678238
COc1ccc(F)c(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1,-3.208710019906401
COc1ccc(F)c(C(=O)N2CCC(F)(F)[C@@H](Oc3ccc4ccccc4n3)C2)c1F,-3.0888445627270045
O=C(c1ccccc1-n1cccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.432969290874406
O=C(c1ccccc1-c1ncccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.44870631990508
O=C(c1cccc(-n2nccn2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.9400181550076634
O=C(c1cccc(-n2cccn2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.7972675408307164
O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.285557309007774
O=C(c1cccc(-n2ccnn2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.634074025487468
O=C(c1cccc2ncccc12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1,-2.935003151453655
O=C(c1cccc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.0791812460476247
O=C(c1cncc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.03342375548695
O=C(c1nccc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.7168377232995247
O=C(c1ccnc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.1942367487238292
O=C(c1cccc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.1489109931093564
O=C(c1nccc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.3310221710418286
O=C(c1cccn2cncc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.0038911662369108
COc1ncc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cccc(F)c2)nc1OC,-0.6532125137753437
COc1nc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)ccc1C1CC1,0.0132282657337551
Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.3979400086720375
COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c(-n2nccn2)c1,-3.9541942518158626
COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)nnc2-c2cnn(C)c2)cc1OC,-0.5185139398778874
COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2N2CCOCC2)cc1OC,0.0177287669604316
O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2,-3.6720978579357175
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4cnc(C(F)(F)F)cn4)C2C3)n1,-4.0
CCOc1ncc2ccccc2c1C(=O)N1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2,-3.949390006644913
CCOc1ncc2ccccc2c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.161368002234975
CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.7209857441537393
COc1cccc(-n2nccn2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.359835482339888
Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-n1nccn1,-2.369215857410143
O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.975431808509263
O=C(c1ncccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.230448921378274
Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-c1ncco1,-2.155336037465062
O=C(c1cccc(F)c1-n1ccnn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.5440680443502757
Cc1ccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c(-n2ccnn2)n1,-3.041392685158225
CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.255272505103306
O=C(c1c(F)cccc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.838849090737255
COc1cccc(-c2ccn[nH]2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.03342375548695
COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.531478917042255
O=C(c1cccc2cc[nH]c12)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.763427993562938
O=C(c1ccc(F)cc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.3420276880874717
O=C(c1cccc(F)c1Br)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.1760912590556813
O=C(c1c(F)cccc1-c1ncccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,-2.7015679850559273
O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,-2.987666264926274
O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,-2.705007959333336
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)n1,-2.8260748027008264
O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2,-2.829946695941636
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ncccc4C(F)(F)F)C2C3)n1,-3.6020599913279625
O=C(c1ccccc1-n1nccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,-2.2174839442139063
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)n1,-2.12057393120585
Cc1cccc(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)c1-n1nccn1,-1.662757831681574
CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,-2.2833012287035497
O=C(c1cc(F)ccc1-n1nccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,-2.401400540781544
O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,-2.257678574869185
O=C(c1ccccc1-n1nccn1)N1CC2CC(Nc3cnc(C(F)(F)F)cn3)C1C2,-2.3283796034387376
Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)cc3-n3nccn3)[C@H]2C)n1,-2.462397997898956
Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-c3ncccn3)[C@H]2C)n1,-2.3364597338485296
Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-n3nccn3)[C@H]2C)n1,-2.4149733479708178
Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)n1,-1.6020599913279625
Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-n3nccn3)[C@H]2C)n1,-2.0644579892269186
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(C)n3)[C@@H]2C)c1,-1.3979400086720375
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,-2.357934847000454
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,-2.7686381012476144
Cc1cc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-c3ncccn3)[C@H]2C)nc(C(F)(F)F)n1,-3.3126004392612596
C[C@H]1[C@H](Nc2nccc(C(F)(F)F)n2)CCCN1C(=O)c1c(F)cccc1-n1nccn1,-2.1583624920952498
Cc1ccc(C(=O)N2CCC[C@@H](Nc3nccc(C(F)(F)F)n3)[C@@H]2C)c(-n2ccnn2)n1,-2.8020892578817325
CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,-2.832508912706236
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1,-2.376576957056512
Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-n1nccn1,-2.1760912590556813
C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ncccc1-n1nccn1,-2.7745169657285498
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,-2.3180633349627615
C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1,-2.510545010206612
Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.308564413561238
Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncccn2)c1,-1.9590413923210936
COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,-3.591064607026499
CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,-3.146128035678238
C[C@H]1[C@H](Nc2ncc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.8169038393756605
Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1,-2.7058637122839193
C[C@H]1[C@H](Nc2ccc(C(F)(F)F)nn2)CCCN1C(=O)c1ccccc1-n1nccn1,-3.681241237375587
C[C@H]1[C@H](Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.845098040014257
C[C@H]1[C@H](Nc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.8680563618230415
C[C@H]1[C@H](Nc2ccccn2)CCCN1C(=O)c1ccccc1-n1nccn1,-3.1760912590556813
Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1,-2.915927211697116
C[C@H]1[C@H](Nc2ncc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.2764618041732443
C[C@H]1[C@H](Nc2ncc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.9148718175400505
C[C@H]1[C@H](Nc2nc3ccccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.4533183400470375
C[C@H]1[C@H](Nc2ccc(Br)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.6127838567197355
COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C,-3.662757831681574
CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C,-3.204119982655925
C[C@H]1[C@H](Nc2nc3cc(Cl)ccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.44870631990508
C[C@H]1[C@H](Nc2cnc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1,-1.9822712330395684
COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@@H]1C,-3.4313637641589874
CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@@H]1C,-1.7634279935629371
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1,-3.875119165462568
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.1760912590556813
Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.604765884703887
Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)c1,-3.2762319579218335
Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)n1,-3.9776778876739938
Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2ccnn2)n1,-3.113943352306837
Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-c2ncco2)c1,-3.6040099324122306
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1,-2.639486489268586
Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.113943352306837
Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-c2ncco2)c1,-3.690196080028514
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)n1,-2.0
COc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.806179973983887
Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncco2)c1,-3.845098040014257
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1,-2.2380461031287955
Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-c2ncco2)c1,-3.5185139398778875
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c1,-2.569373909615046
C[C@H]1[C@H](Nc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1,-2.686636269262294
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.322219294733919
Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.6232492903979
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1,-3.4313637641589874
Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1,-3.591064607026499
COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.785329835010767
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.146128035678238
Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.716003343634799
C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-3.361727836017593
COc1ccc(CNC(=O)c2cc(-c3cncc(Br)c3)nc3onc(-c4ccccc4)c23)nc1OC,-0.5797835966168101
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)cc1OC,-1.0334237554869496
COc1cc(C)c(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4cccs4)c23)nc1OC,0.1549019599857432
COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1,-1.863322860120456
COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC[C@@]4(O)[C@@H](C2)N(C(=O)c2ccc(C)cc2)CC[C@]314,-2.8603380065709936
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,0.3979400086720376
COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)n1,-0.4771212547196624
COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(C2CC2)n1,-0.2304489213782739
COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)c1,-0.1139433523068367
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)nc2-n2nccn2)C1,-0.7075701760979364
COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-c2ccncc2)n1,-0.9493900066449128
COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(SC)n1,-0.3010299956639812
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C2CC2)C1,0.1549019599857432
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C(F)(F)F)C1,-0.4913616938342727
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2OC(F)(F)F)C1,0.0969100130080563
CCOc1ccccc1C(=O)N1C[C@H](Oc2nccc(C#N)c2C)CC[C@H]1C,0.1549019599857432
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2N2CCCC2)C1,-0.5314789170422551
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2ncnn2)C1,-0.2041199826559248
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cccnc2-c2ccccc2)C1,-0.414973347970818
Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccncc2-c2ccccc2)C1,-1.2201080880400552
CC(=O)Nc1cc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-c2ccccc2)cn1,0.1549019599857432
CC(=O)Nc1ccc(-c2ccccc2)c(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)n1,0.2218487496163563
C[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0.0457574905606751
C[C@@H]1CC[C@@H](Sc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.2304489213782739
COC(=O)c1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,-0.3979400086720376
COC(=O)c1cccnc1N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,0.3979400086720376
COC(=O)c1cccnc1S[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,0.0969100130080563
COC(=O)c1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,0.3010299956639812
C[C@@H]1CC[C@@H](Oc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1nccn1,-0.3424226808222063
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccc(F)cn3)[C@@H]2C)c1,0.6989700043360187
COc1ccc2c(c1)[C@]13CCN(S(=O)(=O)c4ccccc4)[C@H](C2)[C@]1(O)CC[C@H](N(C)C(=O)/C=C/c1ccoc1)C3,-2.4683473304121573
COc1ccc2c3c1O[C@H]1[C@@H](N(C)C(=O)/C=C/c4ccoc4)CC=C4[C@@H](C2)N(S(=O)(=O)c2ccccc2)CC[C@]431,-2.089905111439398
COC(=O)c1cccc2c(C=O)cc(I)c-2c1,-3.5563025007672873
COC(=O)c1cc(CN2CCOCC2)c2ccc(Cl)ccc1-2,-3.633468455579586
CCOc1ccc(-c2cc(C(=O)c3ccccc3)c3ccc(C(=O)O)ccc2-3)cc1,-3.505149978319906
COc1c(F)cccc1C(=O)N1C[C@@H](C)CC[C@H]1CNc1ccc(Br)cn1,-1.8000293592441343
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1,-0.1000257301078625
CS(=O)(=O)c1cncc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)c1,-1.7000110623221123
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1,0.1999706407558656
O=S(=O)(c1ccccc1)N1CCCC12CCN(c1nc3ccccc3o1)CC2,-1.2000292665537704
COc1ccc2c(c1)[C@]13CCN(S(=O)(=O)c4ccccc4)[C@H](C2)[C@@H]1CC[C@H](N(C)C(=O)/C=C/c1ccoc1)C3,-1.9025467793139912
CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3S(=O)(=O)c2ccccc2)C1,-2.2380461031287955
CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3S(=O)(=O)c2ccccc2)C1,-1.9633155113861112
COc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,-2.0
COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12,-3.146128035678238
COC(=O)CN(C(C)=O)C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1Cl,-3.3979400086720375
CC(/C=C/c1ccccc1)=N/Nc1nc(Nc2ccccc2)nc(-n2nc(C)cc2C)n1,-4.250420002308894