deployment/deployment_5/train.csv

SMILES,y
CCn1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)cn1,2.27343882
Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1,3.402485094
COCC(=O)N(CC1CCCO1)c1nc2c(s1)CCc1c-2cnn1C,1.152288344
C[C@]1(O)CN(C(=O)Cn2cnc3ccccc32)CC[C@@H]1Oc1ccccc1,2.256782669
CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccnn1C,1.027920136
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1,2.229894203
CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COc2ccccc2)CC1,3.027395685
O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC1,1.738788483
O=C1CCCN1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.19529066
Cn1cccc(C(=O)NCc2nc(C(C)(C)C)no2)c1=O,2.13664448
O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1,2.552304327
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCCc2ccccn2)[C@@H]1O,2.959167844
CONC(=O)c1c2c(nc3ccccc13)CCC2,1.027920136
Nc1ncc(C(=O)NC2CN(C(=O)C3CC3)C2)c2ccc(-c3cccc(F)c3)nc12,1.470307565
Cc1cc(C(=O)N(C)CC2CCN(CCO)CC2)cc(C)n1,1.465739659
CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1,2.448144929
CC(C)c1cc(N(C)Cc2nc(C3CC3)n[nH]2)n[nH]1,1.565186432
COCc1nc(C2CCN(CCO)CC2)no1,1.859606578
CN1CCCN(C(=O)Nc2cccc(OCC(F)F)n2)CC1,2.280705818
COC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1,1.463878065
O=C(c1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1)N1CCCC1,2.749437925
N#Cc1ccc(N2CCc3c(ncn3C3CC3)C2)nc1,1.804228055
CCOC(=O)N1CCC(Nc2nc3ccccc3s2)CC1,2.467858104
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,1.703497726
Cc1nc(CC(=O)NCc2ccccc2)cs1,1.590696972
CC(C)NC(=O)Cn1nnnc1C(C)(C)C,1.433481808
COc1cc(CN2CCCNCC2)cc2c1OCO2,1.862554729
CN(CCN1CCCCC1)c1cncc(C(N)=O)n1,1.978723616
CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1,1.027920136
CCOc1cc(N(C)CC2CCN(C)CC2)ncn1,2.748801035
c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1,3.190827911
Clc1cc2ncc(-n3ccnc3)nc2cc1Cl,2.127700734
O=C(CCc1cc2ccccc2o1)N1CCN(c2cnccn2)CC1,2.696762531
O=C(Cc1ccccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,2.894272853
CCN1CCC(CCNc2ncc(C)c(N(C)C)n2)CC1,2.509163528
CCN(C(C)=O)c1ccc(C)cc1C(=O)O,1.027920136
Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21,2.330436096
COc1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.702611455
CCc1nsc(N2CCS(=O)(=O)CC2)n1,1.027920136
CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)CC1,2.577812232
CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,1.027920136
Cc1ccc(-n2nc(NCc3cnn(C)c3)cc2C)cc1,1.847541813
CC(C)n1nnnc1-c1ccc(N)cc1F,1.604085587
CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,2.854780773
CN(C)c1ccc(-c2ccc(C(=O)NCCN3CCCC3=O)cc2)nn1,1.875206004
Cc1nn(CCNS(=O)(=O)N2CCCCC2)c(C)c1C,3.505661873
Cc1cc(N2CCCC2c2cc(CCC(=O)O)cc(C)n2)ncn1,1.027920136
CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC,2.974492349
Cn1c(-c2ccccc2)cnc1NCc1ccccc1,3.526665909
CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O,1.915521189
C(=C/c1ccccc1)\CNCc1ccc2c(c1)OCO2,2.758029545
CCN1CCN(c2ccc(Nc3ncnc4sccc34)cc2)CC1,1.791978213
Cc1noc(C(C)C)c1C(=O)Nc1ccccn1,2.70725669
O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1,1.419278183
C#CCNC(=O)CCc1c(C)nn(C)c1C,1.027920136
Nc1ncnc2ccc(-c3ccnc(F)c3)nc12,1.027920136
CCCn1c(=O)n(Cc2ccc(C#N)cc2F)c2ccccc21,2.800934171
c1ccc2c(c1)CCN(Cc1nnc3n1CCC3)C2,1.538121108
CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O,1.95240494
N#CCN1CCC(CNC(=O)c2c(F)ccc(F)c2F)CC1,1.197115081
Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1,2.808265003
Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cccnc4)o3)C2)cc1,2.771756463
Cc1ccn(-c2ccc(NCC3CC3)nn2)n1,2.484716847
CNC(=O)Cc1noc(-c2ccc3ncccc3c2)n1,1.337539124
Nc1ccc2[nH]c(CCc3ccccc3)nc2c1,1.459422646
Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12,2.469036632
Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1,1.482702118
CC(C)N(C(=O)Cn1cccc2cc(C(F)F)nc1-2)C(C)C,2.639586087
Cc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C,1.845470133
COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC1)CO2,2.227153696
O=c1c2c(C(F)(F)F)cccc2ncn1CCc1ncc[nH]1,2.409195718
Cc1nccc(N(C)Cc2ccc(N)nc2)n1,1.027920136
N#CN1CCC[C@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1,1.833892616
c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1,3.505462287
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(S(=O)(=O)C(C)C)CC1,1.153387979
COc1ccccc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1,3.331902432
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCC2)cc1,3.172209271
O=c1c2c(Cl)ccc(Cl)c2ncn1Cc1cc(O)ncn1,1.027920136
COc1cc2c(cc1OC)CN(CN1C(=O)c3cccc4cccc1c34)CC2,2.7024021
COc1ccc(CNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1,2.80904836
O=C(c1ccc2c(c1)OCO2)N1CCC(c2n[nH]c(C3CC3)n2)CC1,1.649529566
OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3n2)c1)c1ccccc1,2.518683676
Cc1noc(CCNc2cccc(F)c2C#N)n1,2.425499984
Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1,2.188430657
CCCc1ncncc1C(=O)NCc1noc(C2CC2)n1,2.04767976
CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.71993755
COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4cncnc4)cc(C)n3)CC1)CO2,2.302226997
COc1nc(C)nc(N(C)Cc2nccs2)c1C,2.706250814
Cc1ccc(-c2noc(CCC(=O)N3CCCC3(C)C)n2)cc1F,3.529047483
c1cc(CN2CCC(c3ccn[nH]3)CC2)ccn1,1.506897209
Nc1ccnn1Cc1ccc(Cl)c(F)c1,1.563065578
CCc1csc(NC(=O)c2ccc3c(c2)nc(C)n3C)n1,2.031832452
NC(=O)CCCSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1,2.256012588
c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,2.218149352
Nc1ccc2c(c1)ncn2-c1ccccc1,1.402312979
COc1ccccc1CC(=O)Nc1ncc(C)s1,2.417446781
Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2n1,2.941471678
CCc1noc(-c2ccc(CCN)cc2)n1,1.736579744
Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1.775967056
O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1,2.663557707
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1,3.788869608
O=C(O)CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O,1.027920136
Cc1nc2cc(NC(=O)Cc3c(C)nc4ccccc4c3C)ccc2o1,2.404046486
CN(Cc1cccnc1)Cc1ccc(C#N)o1,1.843039577
O=C(NC1CCCC1)C1=CCN(C(=O)C2CC2)C1,1.571522499
Cc1ccc(CNc2ncnn2C)nc1,1.027920136
Cc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1,3.786244663
Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O,2.742340143
O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCCO2,2.45154697
Cc1cccc(C)c1OCCn1nnnc1C,1.987407041
O=C(NCC1CC1)c1cncn1-c1ccc(F)cc1,1.027920136
Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1,1.817624858
CCCn1ccnc1CNc1nc2c(s1)c(C)nn2C,2.109912491
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1,2.709458228
Cc1cnn(Cc2nnc(-c3ccccc3)s2)c1,2.652164117
CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N,3.613144912
Cc1cccnc1CNC(=O)c1ccc(Cl)s1,2.600981603
CC(=O)N1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1,2.335620355
COCc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccc1OC,3.039764983
COc1cc(C)cc(OC)c1-c1ccc(-c2nn[nH]n2)cc1,1.919904036
CN(Cc1ccc(CO)cc1)Cc1cc(F)c(F)c(F)c1,2.569665293
CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1,3.180541325
O=C(CN1CCSC1=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1,2.543166258
c1ccc(-c2ncc(CNc3ncccn3)s2)nc1,3.316108584
Cc1nc2ccccc2c(C(=O)O)c1C,1.027920136
c1cnc(N2CCC(Cc3ccncc3)CC2)nc1,2.164120773
Cc1ccc(-c2cnc(N)cn2)c2cccnc12,1.877192753
O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1,2.280027186
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,1.28688292
CC(C)(C)c1cc(C(=O)CSc2nncn2-c2ccccc2)cc(C(C)(C)C)c1O,1.668087787
O=C(CCc1ccc2c(c1)OCO2)Nc1nc2c(s1)CCC2,2.773161606
CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cc1,2.808125186
CCn1nccc1-c1cc(CC2CCNCC2)ncn1,1.027920136
CN(CCSc1ccc2nnc(C(F)F)n2n1)Cc1ccccc1,3.502383279
CC(C)CCN1CCC(CNS(C)(=O)=O)CC1,1.027920136
CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,1.027920136
O=C(CSCCc1ccncc1)Nc1ccccc1,2.632281109
O=C(Nc1nccs1)c1c2c(nc3ccccc13)CCC2,2.678676772
CN(Cc1nc2ccccc2n1C)c1ccnc(-c2ccccc2)n1,3.24054226
CN(CC1CCC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1,2.099169406
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCCCCCN3C(=O)C=CC3=O)CC[C@@H]12,1.587171971
COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1OC(C)C,2.122215878
CC(=O)NCCCOc1ccc(CN2C[C@H](Oc3cccc(C)c3)[C@@H](O)C2)cc1,2.742940262
Cc1ccc(NC(=O)C(C)(C)c2ccccc2)nc1,2.796398776
O=C(CSc1ccc(F)cc1)N1CCCC1,2.069686593
CC(C)(CO)NCCCCn1c2ccccc2c2ccccc21,2.212283512
CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1,3.372758685
FC(F)(F)c1nc(Nc2ccc(-n3cnnn3)cc2)c2ccccc2n1,1.027920136
CS(=O)(=O)CCNc1ccc2ccc(F)cc2n1,1.883161567
CC(C)(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21,1.932016906
COc1cc(OC)cc(C(=O)NCc2noc(-c3ccccc3)n2)c1,2.797784646
O=C(c1cccc(CNc2ccc3nccnc3n2)c1)N1CCCCC1,2.162877917
CC(C)[C@H](Nc1ncc(Cl)cn1)C(=O)N1CCCC1,2.256563816
CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C,3.140664826
Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccc(F)cc2n1,1.604139618
O=C(Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1,2.986506599
NCc1ccc(Oc2ccccc2)nc1,1.702990278
O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)N1CCCCC1,2.926789889
CC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1,2.392200836
O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21,2.9013079
Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc(C)o3)sc2n1,3.460262467
CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,1.940924689
CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],1.929096918
CCc1ccc(CNc2nncs2)o1,1.670811552
O=C(NCc1ccc(F)cc1)c1ccc(-n2ccnc2)nc1,1.477323878
Cc1c[nH]c(CNCc2ccccc2CC(C)C)n1,3.431209643
CNC(=O)Cc1nc(-c2cncc(C)c2)cs1,1.160198326
CCCc1nnc(NCc2cn3ccc(C)cc3n2)o1,1.53149169
CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1,2.153458139
CCc1nc(CC)n(Cc2nc(C)cs2)n1,1.600286626
CC(=O)Nc1cc(CCC2CCNCC2)ccn1,1.027920136
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12,1.392169149
O=C(NC1=NS(=O)(=O)c2ccccc21)c1cc(-c2ccc(F)cc2)no1,1.027920136
Cc1noc(C(C)C)c1C(=O)N1CC(C)OC(c2ccccc2)C1,3.206827764
CN(Cc1cccc(Cl)c1Cl)Cc1cc(=O)n(C)c(=O)n1C,3.441501427
CN1C(=O)CCc2cc(NC(=O)C(C)(C)c3ccccc3F)ccc21,2.558641382
O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)CCC2,1.654571176
C[C@@H]1NC(=O)N(CCC2Cc3ccccc3C2)C1=O,2.285147574
CCCc1nnc(N2CCC3(CCCC3)C2)s1,3.334054258
CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1ccncc1,2.675200731
CC#CCNc1ccc(-n2cnnn2)c(C)c1,2.116617705
COc1c(C)cccc1CN1CCC(O)(c2ccc(F)cc2)CC1,3.106687484
CCc1cc2c(Nc3cnn(CC)c3)ncnc2s1,2.00858314
CN(C)C(=O)c1ccnc(NCc2cccc(C#N)c2)c1,1.839006415
Cc1cccc(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)c1,3.253741576
O=C(c1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1)N1CCCC1,2.095615626
CN(Cc1n[nH]c2c1CCCC2)c1nccnc1C#N,3.057485808
COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)cc1,3.075357144
O=C(C1CC1)N1CCCC(C(=O)N2CCc3ccccc3C2Cc2ccccc2)C1,3.64244879
CC(C)(C)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(C)(C)C)c1,3.013715165
CCc1cnccc1C(=O)Nc1cnccn1,1.234871459
COc1ccc(C(=O)N(C)Cc2nccn2C)c(F)c1,1.730426945
COCCNC(=O)c1ccnc(C2CCNCC2)c1,1.206123964
CCCC(=O)NCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.027920136
CC(C)c1nnc(CN(C(C)C)C2CCOCC2)o1,2.343310103
Cc1cc(-c2nccs2)nc(CC2CCNCC2)n1,1.589066718
Cc1nc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)no1,2.633059218
CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,3.329293921
CN(Cc1ccc(N)nc1)c1nc(C(F)(F)F)cs1,2.066150681
Cc1nc(C)c(C(=O)Nc2ccc3ncccc3c2)o1,1.541566764
COc1ccccc1-n1cc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cn1,2.708621428
CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,1.027920136
CN1CCN(C(=O)C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCC2)CC1,1.027920136
Cc1noc(C)c1CS(=O)(=O)Cc1cccc2c1OCCO2,3.358958802
N#CCNC(=O)c1ccc(C#N)c(Cl)c1,1.027920136
Cc1ncc2c(n1)CN(CCCc1nc3ccccc3o1)CC2,2.489812285
Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12,2.712478812
Cc1ccc(-c2ccc(-c3nccn3CCCn3cnnc3)o2)cc1,2.732886485
O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc12,2.477014116
COc1ccc(-c2nc(NC(C)C)ncc2-c2ncc[nH]2)cc1,3.063681556
COc1ccc(-c2nc(CN3CCC[C@H](O)C3)no2)cc1,1.681195996
Cc1nn(CCC#N)c(C)c1Oc1ccccc1O,2.048748576
Nc1ccnc2ccc(Oc3ccccc3)cc12,3.368232757
Nc1nc2ccccc2n1CCCc1ccccc1,2.665882922
COCc1ccc(SCC(=O)NC2CCCC2)cc1,3.406091177
Cn1ccnc1CN1CCN(Cc2ccc(F)cc2C#N)CC1,2.64966289
O=C(Nc1cccc(-c2cnco2)c1)C1(c2cccc(F)c2)CCOCC1,2.409268499
CC(C)c1nc(S(=O)(=O)N2CC3(CC3)c3ccccc32)c[nH]1,3.492901407
COc1ccc(C(=O)c2ccccc2)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,3.179450387
CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n1,1.527023786
CC(=O)Nc1ccc2nc(C)cc(O)c2c1,1.027920136
O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1,3.468993564
c1nc(N2CCC3(CCCCC3)C2)c2cn[nH]c2n1,2.851225317
Cc1nccc(C2CCN(Cc3ncc[nH]3)CC2)n1,1.461183271
CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1,2.751363029
CNc1ncc(-c2nc(C3(c4ccccc4)CC3)nn2C(C)(C)C)cn1,2.943585026
NCc1nnc(CCc2ccccc2)o1,1.027920136
Cc1nc(N(C)C)cc(C2(C)CCNCC2)n1,1.264132797
O=c1c2cccnc2ncn1Cc1ccc2c(c1)CCCC2,2.851885482
CO[C@H]1[C@H](C2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/c1ccc(OCCN(C)C)cc1)CO2,2.900126151
CCc1sc(N)nc1-c1ccc(OC)cc1,2.691289302
Cc1ccccc1CCNC(=O)N(Cc1cccnc1)C1CCN(C)CC1,2.911303592
O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1,2.663355048
Cc1ccccc1OCCn1c(N)nc2ccccc21,3.245500083
C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1,2.542907549
Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1,2.826104619
Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)o1,1.027920136
CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)C3CC3)CC2)n1,2.44365094
OC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1,1.027920136
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1,2.50806218
Cc1ncsc1CNc1nnc(-c2ccncc2)o1,1.788627886
Cc1nc(N2CCNCC2)c2cnn(C)c2n1,1.177853809
c1ccc2nc(OC3CCNCC3)cnc2c1,2.263375651
COc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)[nH]n1)CC2,3.456797077
CCC(=O)N1CCCc2cc(C(O)CN3CCN(c4ccc(OC)cc4)CC3)ccc21,2.451837075
CN(C)C(=O)c1cncc(N(C)CCN(C)C2CCCC2)n1,1.509202522
Cn1nc(CNC(=O)C2CCC2)c2ccccc21,2.167323243
COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1,3.450356591
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1,2.08385006
CCC1(O)CN(c2ncccc2C#N)C1,1.397783635
COCc1ccccc1CNc1ccc2cc(C#N)ccc2n1,2.632489686
COc1cccc(CC(=O)N2CCOC(c3cc(Nc4nnc(C)s4)cc(C)n3)C2)c1,2.488580326
O=C(NCc1cccc2c1OCCCO2)c1cscn1,1.918308238
C#C[C@@](C)(CC)NC(=O)c1cc(F)cnc1NC1CC(F)(F)C1,2.495928511
CN1CCN(c2ccc3nc(-c4cc(C(C)(C)C)c(OCCCC(=O)NCCCN=[N+]=[N-])c(C(C)(C)C)c4)[nH]c3c2)CC1,2.326528383
Cc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1,2.516203412
CCN(Cc1cccs1)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.447533999
Cc1cc(C)nc(N(C)CC(=O)NC2CC2)n1,1.364006614
CC(C)C(=O)Nc1ncn(Cc2cccnc2)n1,1.027920136
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1,3.40330999
CCc1cccc(C)c1NC(=O)c1ccc(C)o1,2.234919503
COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)CC1,3.0852995
Cc1cc(C(=O)N(C)C2CCC2)n2nccc2n1,1.027920136
COCc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1,2.619622305
O=C(CC/C=C/c1ccccc1)Nc1ccccc1N1CCOC1=O,2.889610922
O=C(NCc1cccc(O)c1)Nc1ccccc1F,1.76993092
COCCc1nc(CCCn2cccn2)n(C2Cc3ccccc3C2)n1,2.740063318
Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1,2.428572109
CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)NS(=O)(=O)c3ccccc3)cc1)C2,1.237895455
Cc1ccc(=O)n(CC2(O)CCN(Cc3cccs3)CC2)n1,2.207200664
O=C(CN1CCCC1=O)N1CCc2nc3sccc3c(=O)n2CC1,1.027920136
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1,3.618827244
Cn1cnnc1-c1cccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1,2.488270026
CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12,2.32151351
N#CC1(NC(=O)Cc2cc3c(ccc4ccccc43)o2)CCOCC1,2.848311688
Nc1nncc(-c2ccccc2OC(F)F)n1,1.027920136
CN1C(=O)c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2C1=O,2.137537666
CN(CC(=O)NC1(C#N)CCCCC1)c1cccc(C#N)c1,2.845618261
Cn1c(=O)c2c(ncn2C)n(C)c1=O,1.027920136
CC(C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1,3.626562181
CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1,3.558861267
COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1,1.658354878
O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1,2.73638694
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1,2.733012532
Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(CC4CC4)C[C@H]23)c1,3.368017111
Fc1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,3.293056783
CN(C(=O)CSC(C)(C)C)c1ccccc1C#N,2.836985815
O=C(C1CCC(O)CC1)N1CCCN(c2ccc(F)cc2)CC1,2.313915707
CCc1nc2ccccc2n1CC(=O)Nc1ncc(C)s1,2.541104755
Fc1ccccc1CNc1nc(-c2ccccc2)no1,2.118519341
Nc1cnn(CC(=O)N2CCCCC2)c1,1.027920136
Cc1nccc(NC(=O)CCc2ccncc2)c1Cl,1.863816367
CCONC(=O)c1cnn(-c2cccc(Cl)c2)c1,2.649659971
CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1,1.027920136
Cc1nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2[nH]1,2.291031231
O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1F,3.040661666
CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,2.475316636
COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O,3.136159078
O=C(CN1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,2.62188429
COc1cc2cc3c(nc2cc1OC)OCCN(C1CCCCC1)C3,3.224549636
Cc1ccc(-c2ccccc2-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)o1,1.999973942
COc1ccc(CC2CN3CCN(C(=O)OCc4ccccc4)CC3CO2)cc1,2.935136799
O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(COCc2ccco2)c1,2.628298996
CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1,2.661793762
COc1cc(Nc2cc(-c3cccc(C#N)c3)ccn2)ccc1N1CCN(C)CC1,2.296616933
CCCCN1CCc2nc3cc(C4CC4)nn3c(O)c2C1,1.027920136
CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCCCCCC2)CC1,2.932890102
Cc1cc(NCc2ccnc(N3CCCC3)c2)c2ccccc2n1,3.737787441
N#Cc1c(O)nc2scc(-c3ccc(-c4ccccc4O)cc3)c2c1O,1.027920136
O=C(Nc1ccc2c(c1)OCCCO2)c1cnn(Cc2ccccc2)c1,2.691960689
CNC(=O)c1ccc(N2CCCc3cc(OC)ccc3C2)nn1,2.93425346
CCN1CCN(C(=O)CNc2ncnc3onc(C)c23)CC1,1.027920136
CC(C)N1CC[C@H](c2nnc(-c3cncn3C)o2)C1,1.898834838
CSC1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1,3.43872046
Cc1cc(NC(=O)c2c(F)cccc2Cl)no1,1.415457483
Cc1nc(CN2CCC(CNC(=O)COc3ccccc3Cl)CC2)c[nH]1,1.764101376
CN(C)S(=O)(=O)CCCN1CCC(CCC(N)=O)CC1,1.027920136
O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1,2.48505386
CCCCNC(=O)c1cccc2ncccc12,1.446832188
OCC1CCCCN1Cc1ccc(-c2ccccc2)cc1,3.346903123
CC(C)N1CCC(O)(c2ccccc2F)CC1,2.558468563
Fc1ccc(-c2nnc(CN3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1,2.362456085
O=C(NCc1cccnc1)c1sccc1-c1ccccc1,2.937782601
CN(CC(=O)NC1CC1)C(=O)C1C2CC3CC(C2)CC1C3,2.665527522
CC(C)c1cc(C(=O)Nc2ncccc2Cl)no1,1.813487582
O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCCc1c[nH]cn1,2.776049981
CCN(C/C=C/c1ccc(F)cc1)Cc1nc(COC)no1,2.935639247
CNC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1,1.027920136
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O,2.397159315
Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)n1,3.495298993
N#Cc1ccc(Cn2cncn2)c(F)c1,1.027920136
O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1,1.246695495
Cn1cc(-c2cccc3c(C(N)=O)cccc23)cn1,1.628971005
Cc1nc2cc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)ccc2o1,3.04518093
N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1,1.027920136
O=C(CCc1ccc(Cl)cc1)N1CCCC(c2n[nH]cc2-c2cccc(F)c2)C1,3.512951347
CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12,2.684616489
O=C(c1cccc(N2CCNC2=O)c1)N1CCc2ccccc2C1,2.50742136
CC(C)(C)c1ccc(C2=NC3(CCNCC3)NC2=O)cc1,1.775457526
CCOc1cc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1OC,2.447449531
CCCCn1nc(-c2ccc(C)o2)nc1CNC,2.37857776
Cc1nnc(-c2cccc(C(=O)O)c2)o1,1.027920136
CC(C)Oc1cccc(C(C)NC(=O)c2ccnc(-n3cncn3)c2)c1,2.411877176
N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1,2.109244346
O=C(CN1CCc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1,3.070491144
CCOc1ccc(CC(=O)NCCn2cccnc2=O)cc1,1.04351946
c1ccc(-c2ccc(CN3CCCCCCC3)cc2)cc1,3.184623585
CC(C)(C)c1cc(NC(=O)c2cccc3cn[nH]c23)[nH]n1,2.245922093
N#CCCN(C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2,3.364089817
O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1,3.563233491
COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1OC,1.027920136
CCOc1ccc(Nc2ncccc2C#N)cc1,2.503695373
Nc1nc2ccccc2nc1N1CCCC1,2.527157978
Cc1ccnc(N2CCC(OCC3CCCC3)CC2)n1,3.771624148
Cc1ccn(CCC(=O)N2CCc3nc4sccc4c(=O)n3CC2)n1,2.383677159
COCC(=O)Nc1cc(C#N)cn1C(C)(C)C,1.18568378
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@H]1O,3.284991458
NCc1cccc(C(=O)N2CCCC2)c1,1.027920136
CNC(=O)c1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1,2.889505633
Cc1nc(C2CCNCC2)cc(N(C)C)n1,1.027920136
Cn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1,3.352950636
c1ccc2nc(N3CCCC4(CCNCC4)CC3)cnc2c1,2.694700821
CN(C)c1ccnc2sc3c(=O)n(N4CCCCCC4)cnc3c12,1.958769276
Cc1ccn(-c2ccc3[nH]c4c(c3c2)CCCC4=O)n1,2.709644718
CNC(=O)c1ccc(CN(C)c2c(F)cc(C#N)cc2F)cc1,2.375840953
Cn1cc(CN2CCN(c3ccccc3O)CC2)c(-c2ccncc2)n1,2.572999317
Cc1cc(-n2ccnc2)ccc1C(=O)O,1.027920136
O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)c1ccco1,2.006974917
COc1ccc(OC)c(-c2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c1,2.330373183
Cc1ccc(C)c(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1,2.110377561
Cc1cc(NCC2(c3ccncc3)CC2)ncn1,2.297381843
CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(F)c2)C1,2.992100431
CS(=O)(=O)N1CC(c2n[nH]c3ncccc23)C1,1.027920136
Cn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1,1.449940989
O=C(OCc1cc(Cl)ccn1)c1ccc2[nH]c(C(F)F)nc2c1,3.182590104
CN1C(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C(=O)C1(C)C,2.447496029
Cc1cccc2cc(C(=O)NCCCn3nnc4ccccc43)n(C)c12,3.14947407
CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1,2.017667614
O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F,2.641752644
CCOC(=O)N1CCc2cc(NC(=O)c3oc(C)cc3C)ccc21,2.072610128
O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCCCC1,1.966859486
CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,2.800315583
Cc1ccccc1-n1cc[nH]c(=O)c1=O,1.027920136
O=C(NCCN1CCc2ccccc2C1=O)c1ccncc1,2.380509717
COc1cc2cc(N)c(C3CCN(C(=O)C(C)(C)C)CC3)nc2cc1OC,1.63856912
O=C(Nc1cncc(Cl)c1Cl)c1cccc(-n2cccn2)n1,2.173218329
CCC(CC)NC(=O)c1ccc2ncsc2c1,1.311287539
CCCNC(=O)c1ccc(OC2CCN(C)CC2)cc1,1.54550504
CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,3.581057068
Cc1nccn1CCNC(=O)C(C)(C)C,1.027920136
CCOc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1,3.322280298
O=C(CN1CCC(c2ccccc2)CC1)N1CCNC1=O,1.813927752
Nc1nccc2c1ncn2[C@H]1C=C(CO)[C@@H](O)[C@H]1O,1.212986185
CCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC,3.34628039
CNC(=O)c1ccc(N(C)C2CCC2)nn1,1.605595915
CS(=O)(=O)Nc1ccccc1-c1ccncc1,2.000230115
O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1,1.027920136
CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2ccccc2O)CC1,2.897525378
C#Cc1cccc(N(CC(=O)NC(N)=O)Cc2cccs2)c1,3.205708492
CC(C)c1cnc(COc2ccc(Br)nc2)o1,2.99235908
Fc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1,2.447650986
O=C(Nc1cnn(-c2ncccn2)c1)C1CCCCC1,1.863905495
Cc1ccc(CCNC(=O)c2ccncc2)o1,1.718402031
COc1cccc(CNC(=O)C2(C#N)CCOCC2)c1,1.880390521
CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc(C(N)=O)c1,1.629715333
Cc1cc(Cn2cnc(C#N)c2C#N)c2ccccc2n1,1.564476685
Cc1nc(N2CCn3ccnc3C2)c2cnn(C)c2n1,1.027920136
O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1ccc(OC(F)F)cc1,3.244757178
Cc1cccnc1NC(=O)CCn1cnc2ccccc21,1.027920136
CCc1cc(-c2ccc(OC)c3nc(C)ccc23)nc(N2CCOCC2)n1,2.021474599
COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C,2.159945156
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,3.082243061
Cc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1,2.429548808
Fc1ccccc1-c1noc(-c2ccc(NCCc3cnccn3)nc2)n1,2.87459487
O=C(Nc1ccc(N2CCOCC2)nc1)N1CCc2sccc2C1,2.037753092
CC(=O)N1CC[C@H]2O[C@H]3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)cc4OC(C)(C)[C@@H]3C[C@H]2C1,1.027920136
Cc1cccnc1CNc1ccc(C#N)cc1F,2.207171016
CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,3.056338375
CCc1nccn1Cc1nc(N)nc(N(C)C)n1,1.239149265
Cc1nc(CN2C(=O)CN(C3CCCC3)C2=O)nc2ccccc12,2.91532859
Fc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1,2.818103112
CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1,2.376343324
Cc1nc(-c2cccc(C(N)=O)c2)sc1-c1ccc(F)cc1,2.595794834
NS(=O)(=O)C#Cc1ccccc1,1.027920136
O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2cccs2)cc1,1.027920136
CN1CCC(O)(CNS(=O)(=O)CC2CCCCC2)CC1,2.588020584
C=CCNc1ncc(-c2cnccn2)c(C2CC2)n1,2.865584809
CN(CC(=O)N(C)C)Cc1cc(C#N)ccc1F,1.58043455
COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1,2.519061069
O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1,1.472917269
c1ccc2c(N3CCn4c(nnc4C4CC4)C3)ncnc2c1,1.027920136
Cc1nccc(-c2cccc(NCC(=O)N3CCCCCCC3)c2)n1,3.311706192
Cc1cc(NC(=O)C2CCOCC2)sn1,1.027920136
COc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1ccn(C(F)F)n1,1.027920136
CN1CCC(O)(CNC(=O)C2CCCCCC2)CC1,2.661105317
Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1,2.90539755
Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1,2.020609853
c1ccc(CCc2n[nH]c(-c3cccc4cnccc34)n2)cc1,2.646264494
O=C(O)c1ccc(N2CCCC2)c(F)c1,1.159867847
N#CC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCCC1,2.906020253
CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21,1.303951634
CC(C)n1cc(CN2CCC(c3nc(N(C)C)no3)CC2)cn1,2.253820018
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O,1.482530584
O=C1CN(C(=O)c2ccc(Cl)cn2)CCN1CCc1ccccc1,2.698271097
Cc1cc(C(=O)N(C)Cc2ccccc2C)[nH]n1,2.37792519
Cc1ccc(C(=O)N(C)Cc2c(C)noc2C)cn1,1.027920136
Cc1nc(NC(c2nccn2C)C2CC2)c2sccc2n1,2.504394735
C[C@H]1NC(=O)N(CCc2nc(C(F)(F)F)cs2)C1=O,1.394924244
CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCCC3)C2)n1,2.039992793
O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2,2.675676628
CC(=O)N1CCC(C(=O)Nc2nccs2)(c2ccccc2)CC1,2.372663501
Cc1noc(COc2cccnc2C)n1,1.372249014
CN1C(=O)COc2ccc(NC(=O)CCN3C(=O)COc4ccc(Cl)cc43)cc21,3.066508924
N#Cc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1,3.304961189
Cc1ccccc1C(=O)Nc1nc(C)c(C)s1,2.447708306
CC(C)CC(=O)Nc1cccnc1N(C)C,1.762746065
Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1,1.541416977
CN(CCNC(=O)NC1CCOCC1)C1CCCC1,2.26421553
O=C(NCc1nncn1-c1ccccc1)C1CCCC1,1.087568476
Fc1ccccc1-c1c[nH]nc1C1CCCN1Cc1ccc2ncccc2c1,3.213226004
O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3F)N2C(=O)c2cccc3ncccc23)N1,2.602536368
Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1,3.253114742
Oc1ccccc1NCc1ccccn1,2.778411749
COc1cccc(C(=O)NCC(=O)Nc2cccc3c2CCCC3)c1,2.783220886
COC(=O)N1CC(NCc2c(C)nn(C(C)(C)C)c2C)C1,1.78651008
O=C(CSCCCn1c(=O)[nH]c2ccccc21)N1CCCCC1,2.880727296
O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1,2.627594211
Cc1nc(CNC2CCN(C(=O)C3CC3)CC2)cs1,1.027920136
COc1ccc(-c2nn(C)c3ccccc23)c(OC)c1OC,3.102548267
Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1,2.192308137
COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1,3.07726468
Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,2.779713345
Cc1cccc2cnc(C3CCN(C(=O)CCc4ccno4)CC3)cc12,2.862803776
CN(C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O,2.081919508
Cc1ccc(N2CCN(C(=O)c3c(C)nc4sccn34)CC2=O)cc1,1.50861051
O=C(C1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1,1.720804062
O=c1c2oc3ccccc3c2ncn1Cc1ccc(F)c(F)c1,2.896364705
c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1,2.664452988
COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cn1,3.061012684
O=C(CCCc1ccc(F)cc1)N1CCN(c2ccccc2)C(=O)C1,2.246656119
Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)sc1Br,2.902705466
Cc1ncccc1CNc1ccc(CC#N)cc1,2.561029791
Cc1ccc(F)c(N(C#N)Cc2nccn2C(F)F)c1,2.351605005
Fc1ccc(F)c2c(NCc3ccc(N4CCOCC4)nc3)ccnc12,2.178559709
COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1,1.90538567
COc1ccc2nc(C)nc(N3CC(O)(c4ccc(F)cc4)C3)c2c1,2.670159542
c1ccc(-c2nc(CSc3ccc(-n4cccn4)nn3)cs2)cc1,2.622862389
Cc1nnc2ccc(N3CCC4(CCCCC4)C3)nn12,2.778047731
O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCc1ncc[nH]1,3.522116889
O=C(CNC(=O)c1ccccc1Cl)Nc1cccc2c1CCCC2,3.26519625
Cc1cc(C(=O)NCC2CCN(c3ccc4ccccc4n3)CC2)cnc1C,2.67861943
COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1,1.027920136
COc1cc(OC)cc(N2CCC(NCC3(C)CCOCC3)CC2)c1,1.765072201
C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1,1.194764024
Cc1nc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2s1,1.585065737
Cc1ccc(=O)n(CCOc2ccc(Cl)c(F)c2)n1,2.799987373
CN1C(=O)COc2cc(NC(=O)C3CC=CC3)ccc21,1.967079734
CCCCCCNc1ncnc2[nH]ccc12,2.758597028
COc1cc(CN2CCC(c3ccnc(C)n3)CC2)ccc1F,1.867007611
COc1ccc(N)c(OCc2ccccc2)c1,2.849197603
O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)Cc2ccccc2)CC1,3.823444232
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,2.996752831
NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1.447778009
Cc1cc(-n2nc(C)cc2N)nc(C)n1,2.096068404
c1cc2cc[nH]c2c(CC2CN(C3CCCC3)C2)n1,1.905558437
Cc1ccc(C)c(S(=O)(=O)N2CCCN(C3CCC3)CC2)c1,3.331775402
Cc1cc(F)ccc1-c1nc(CCn2c(C)nc3ccccc32)no1,3.254089615
CC(C)n1cnnc1SCOCc1ccccc1,2.340824699
CN(C(=O)c1cncc(F)c1)c1cccc2ncccc12,2.128321709
Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CC3)ccc2o1,3.237082055
CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1,2.078300908
CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,2.281224324
CCCn1cnnc1CN(C)Cc1cc(C(C)C)on1,2.727588425
O=C(O)c1c2ccccc2nn1Cc1ccccc1,1.027920136
CCOc1cc2c(cc1CCC(=O)N1CCC(Cc3ncncc3C(N)=O)CC1)CCC2,3.217347844
O=C(Nc1nc2ccccc2[nH]1)c1ccncc1,2.036972044
CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3ccc(F)cc3F)CC2)OC[C@]1(C)O,1.188394071
O=C(Nc1ccc2sccc2c1)N1CCCN(C(=O)Oc2ccccc2)CC1,2.883941791
NCCn1cc(NC(=O)c2ccccc2)cn1,1.027920136
O=C(CN1CCCC(c2ccc3cn[nH]c3n2)C1)N1CCCC1,2.527646654
COc1ccc(Nc2ncnc3sccc23)c(OC)c1,2.781696508
Cc1cccn(Cc2cccnc2)c1=O,1.027920136
O=C(Cc1n[nH]c2ccccc12)N1CCCO1,1.499934395
O=C(CN1CCCc2ccc(F)cc21)N1CCNC1=O,1.787375449
CCCC1(CNC(=O)Cn2ccc(=O)cc2)CCC1,1.164174342
Cc1nccc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)n1,2.025911816
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1,3.399959639
Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1S(=O)(=O)N(C)C,3.587440541
CCCN(C(=O)c1ccccc1N)C(C)C,2.533638624
Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(-c2cccnc2)n1,2.618166334
CCN(CC)C(=O)CSCc1cncc(F)c1,2.921820644
Cc1ccc(C)c(OCCN(C)C(=O)c2ccc3c(c2)nnn3C)c1,3.011708702
CC(=O)Nc1ncc(CN2CCCC[C@@H]2C)s1,1.150111425
COc1ncccc1CNc1c(C#N)cnc2c(C)cc(F)cc12,3.095621898
Nc1ccc(Cl)c(NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1,2.846444126
Cc1cc2nc(CCC(=O)N3CCC(c4ccc(C(=O)N(C)C)c(N)n4)CC3)[nH]c2cc1C,2.505620661
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(Br)cc1,2.392746182
CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@H]2CO)CC1,1.469011559
CCS(=O)(=O)CC(=O)Nc1cc(C)ccc1C,1.027920136
Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1,2.667588357
O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(Cc3ccccc3)no2)CC1,2.933126745
COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2ncccc2Cl)CC1,3.2507417
O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1,3.335113337
Cn1nccc1C(=O)C1CCN(C(=O)c2cccs2)CC1,1.988902155
CCC1(O)CN(c2ncnc3c2c(Br)nn3C)C1,1.546530325
CCCc1noc(CN2CCN(c3ccccc3OC)CC2)n1,2.545714
CN(C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1,2.079155911
O=C(Nc1nnc[nH]1)c1ccc(C2SCCCS2)cc1,2.166616581
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,1.168025809
CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)nc2)CC1,2.54333533
Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1,3.143961093
CN1CCN(C(=O)C2(NC(=O)c3cc(Cl)c4c(c3)OCO4)CCCC2)CC1,1.576249182
Nc1ccc(CC(=O)Nc2ccccc2F)cc1,1.027920136
CCCc1ccc(C(=O)CSc2nncs2)cc1,3.099159728
CC(C)(C)c1cnc(CN2CCC(=O)Nc3cc(F)ccc32)o1,2.977713091
CCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1,3.396260039
Cc1cccc(C)c1NCc1noc(C2CC2)n1,3.186112058
Cc1ccc2oc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)cc2c1,3.099346334
CC(C)(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1,2.159338557
CC(C)(C)OC(=O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1,1.316263972
Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1,2.335342049
O=C(Cc1cccnc1)Nc1ncccc1Cl,1.492886051
CNC(=O)CC1CCN(c2ncccn2)CC1,1.027920136
COc1ncccc1CNc1ncnc2c1cnn2C,1.460085599
CC(C)c1c(-c2ccccc2)[n+]([O-])c2c([n+]1[O-])CCC2,1.155396774
Cc1cccc(-n2cnnc2CCCN2CCOCC2)c1,1.992668372
CC(C)c1nnc(NCc2cc(F)cc(F)c2)o1,2.046085259
Cc1noc(C)c1N(C)CCn1cncn1,1.584365152
CCCN(C(=O)c1c(CC)noc1C)C1Cc2ccccc2C1,3.37586837
C#CCNC(=O)c1cc(C(C)C)nn1CC,1.094610863
O=C(Nn1cnc2ccccc21)c1cc(Cl)ccc1F,1.027920136
CCN(CC)C(=O)Oc1cccc2cccnc12,2.275953681
Cc1cc(C)c(NC(=O)CN(C)c2ccc(C#N)nc2)c(C)c1,1.878946691
Cc1c(O)cccc1OCCN1CCOCC1,1.730119835
O=C(Nc1cncc2ccccc12)c1ncccn1,1.155578931
CON(C)C(=O)CCc1c(C)nn(C)c1C,1.451279719
CCCCN(C)C(=O)Nc1cc(C)ccn1,2.353716244
CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)C[C@@H]2C[C@@]1(C)O,2.441376169
O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1,1.027920136
CN(C)c1cnn(CCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c1,3.101228979
Brc1cnc(N2CCCN(c3ccccc3)CC2)nc1,3.753651376
COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1,2.551348732
CC(=O)NC1CCC(NCCc2c(C)cccc2C)CC1,3.055740984
Cc1nc(Cl)cc(Nc2ccc3c(c2)N(C)C(=O)CO3)n1,1.800428369
O=C(Nc1cccnc1)c1ccnc(NC(=O)C2CC2)c1,1.436051275
CC(=O)Nc1ccc(CNCCOc2ccc(F)cc2F)cc1,2.057768771
COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O,1.450787792
N#Cc1cnc2cc(F)cc(F)c2c1NC1CCN(CC(N)=O)CC1,1.437845653
CN1CCC(Cc2cccc(-c3nccs3)n2)C1,3.306892099
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)c1,3.497596207
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,2.847664567
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1,1.283753383
O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1,2.389748889
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1,1.758465263
N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]12,1.027920136
Cc1n[nH]c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2,2.741363571
O=C(C1CCCN(c2ccc(Cl)nn2)C1)N1CCc2ccccc2C1,3.217462624
O=C(Cc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1,2.942157425
COc1ccc(-c2cccc(C3CCCN(C(=O)C4CCCC4)C3)n2)cc1,3.296850932
O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC1,2.658512217
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,1.027920136
CC(C)(C)n1ncc(OCc2ccc(OCCOCCO)nc2)c(Cl)c1=O,1.94509913
Cc1nc(NCCN2C(=O)CCC2=O)c2c(C)csc2n1,2.197906043
O=S1(=O)CCN(C2CCN(CC(F)(F)F)CC2)CC1,1.302850213
CCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1,1.299572667
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,2.033480049
Fc1ccc(CCNc2ncnc3ncccc23)cc1,1.905542243
C[C@@]12CCCN1C(=O)[C@H](C1CCCCC1)NC2=O,1.317143662
CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)c1C,3.172363536
CCCc1cc(CNC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)on1,1.95595219
COc1cccc(CN2CCc3nc(-c4cnc(C)cn4)nc(O)c3C2)c1,1.582256592
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CCn3ncc4ccccc43)C2)n1,3.36208683
Cc1ncccc1NC(=O)OC(C)(C)C,1.32417953
O=C(NCc1ccc(CO)c(F)c1)Nc1ccccc1,1.317080886
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,1.975441
CON(C)C(=O)c1cc(C)ccc1NS(C)(=O)=O,1.027920136
CCN(CC)C(=O)N1CCCN(C(=O)N(CC)CC)CC1,2.843747147
CCOC(C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.879800964
O=C1c2ccccc2C(=O)N1CCNc1ccc(F)cc1,2.789224529
CS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1,1.991101974
O=C1CCCN1c1ccc(NCc2ccccn2)nc1,1.027920136
CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1,1.635905772
CC(C)(C)c1nnnn1CC(=O)NC12CC3CC(CC(C3)C1)C2,2.714415269
CC(C)CCCNC(=O)c1[nH]ncc1Br,2.870509832
Cc1cc(C(=O)N(C)C2CCSCC2)c(=O)n(C)c1C,1.751132774
Cc1noc(C)c1COc1ccc2ncccc2c1,2.528250614
O=C(NCCc1ccc2c(c1)OCO2)N1CCc2sccc2C1,3.095081786
COC(=O)C1=NOC2(CCN(CCCCCF)CC2)C1,2.853308145
O=C(Cc1cn2ccccc2n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.589565377
CCc1cc(=O)[nH]c(SCCCCC2CCOCC2)n1,2.457488281
Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1,1.027920136
Cc1cc(C)cc(Oc2cc(C#N)ccn2)c1,2.330279811
CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc21,3.969621762
Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)no1,2.108632666
CN(Cc1cccc(C#N)c1)Cc1ccccc1C#N,3.625142096
Cc1cc(Nc2nnc(C)s2)cc(C2CN(C(=O)Cc3csc(C)n3)CCO2)n1,2.013241816
O=C1CNC(=O)N1CCCN1CCc2sccc2C1,1.456563395
CCOc1cccc(CNCCc2c[nH]c3ccccc23)c1,3.122647009
N#Cc1ccc(-c2cccc(CN)c2)s1,2.745975253
CNC(=O)c1cnc(/C=C/c2csc(-c3cccs3)n2)s1,2.335905004
C=CC(=O)N1CCC[C@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,2.712971095
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2ccnc2)nc1,3.220411988
O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1,3.122454593
Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2,2.432674319
CSc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1,3.42412161
CN1CC(=O)N(CCCC(=O)Nc2cccc(C#Cc3cccs3)c2)C1=O,2.86787684
CCONC(=O)Cc1coc2c(C)c(C)ccc12,3.024431891
Cc1ccc2nc(C)c(-c3nc(C)nn3CCO)cc2c1,1.284566077
COc1ccc(OCc2n[nH]c(-c3ncoc3C(C)C)n2)cc1,2.710964809
CC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cn2)CC1,1.402398959
Clc1cnc(Oc2ccc3cn[nH]c3c2)nc1,1.43907994
O=C(NCC1(N2CCCCC2)CCCC1)c1cnn[nH]1,1.027920136
CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1c1ccc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)cc12,1.958473097
CCOc1ccnc(NCCCc2nc3cc(F)ccc3[nH]2)n1,3.515722344
NC(=O)c1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,2.917721815
N#CCSCC(=O)NC1CCCCCC1,1.582370217
O=C(NC1CCCCC1)C1CCN(c2ccncc2Cl)CC1,2.41001085
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,2.971121777
COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1,2.280808203
Cn1c(C2CC2)nc2c1CCN(c1ncnc3ccsc13)C2,3.038396003
COc1ccc2ccccc2c1CNC(=O)c1cnc(C2CC2)nc1,2.645033982
Fc1cc(-c2ccncc2)ccc1CNc1ncccn1,2.377051137
Cc1c(C(=O)NC2CCN(CC3CCCCC3)CC2)cnn1C,1.027920136
Cc1csc(NC(=O)c2cccc(C)c2C)n1,2.961711002
Cn1c(SCOCc2ccccc2)nnc1C1CC1,2.433529826
Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1,2.468468443
COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1,1.919411166
CCN(CC)CC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1,1.499824496
Cc1cc(C(=O)NCCC2=CSC3=NCCCN23)c2cccc(C)c2n1,2.463613817
CCc1[nH]nc(NC2CCN(C(C)C)CC2)c1C,2.211571695
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,3.038249682
Cc1csc(NC(=O)c2ccc(-c3ccncc3)cc2)n1,2.484480639
Cc1ccncc1NC(=O)Cc1ccc(F)cc1,1.309012349
Cc1cc(C)nc(Nc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc2)n1,2.072025522
Cc1cc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)on1,2.103960996
Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1,3.401049172
CC(C)c1nsc(N2CCC(Nc3cccnc3)CC2)n1,2.60535246
CCc1[nH]nc(NC2CCC(C(=O)OC)CC2)c1C,2.471828379
Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,1.510558414
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,2.339360001
CC(C)n1cnnc1-c1cccc(N2Cc3ccc(Br)cc3C2=O)n1,1.744605875
CC(=O)N[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O,2.219951086
Cc1nc(C2CCN(CC(N)=O)CC2)no1,1.027920136
NS(=O)(=O)N1CCN(Cc2c(F)cccc2N2CCCC2)CC1,3.108690491
Cc1ccc(OCc2nc3cc(N)ccc3[nH]2)cc1,1.691108027
Cc1cc(F)ccc1C(=O)NCc1ccc(O)c(O)c1,1.923616999
CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12,2.714295384
Cn1cc(C2CCN(CC(=O)N3CCc4sccc4C3)CC2)cn1,2.09887206
COc1cc(CCNC(=O)c2nc3cccc(C)n3c2F)cc(OC)c1,2.914215125
CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1,1.504959933
Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCCCC1,1.877163941
CCCNC(=O)c1ccnc(N(C)C)c1,1.92171248
CN(C)c1ccncc1CN1CCN(c2ccc(C(N)=O)cc2)CC1,1.027920136
COc1ccccc1-c1nn(-c2ccccc2)cc1CO,2.57334512
O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc2C1,3.500597596
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O,2.028742009
COCCN(C)c1ccc(CN2CCc3nn(C)c(=O)cc3C2)cn1,1.341691662
CN(C(=O)C1CCN(c2ncccn2)CC1)C1CCCCCCC1,3.589768031
Cc1cnc(NCC2(CO)CCCC2)nc1N(C)C,3.020552695
O=C(COc1cccc(-n2cncn2)c1)N1CCc2ccccc21,2.526855987
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1,1.950321033
Cc1ccc(-c2noc3nc(C)cc(C(=O)O)c23)cc1,1.027920136
CCCn1cnnc1CN(C)Cc1ccc(C(F)(F)F)nc1,1.469983926
Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,2.487220417
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1,1.393627842
CC(C)N(C)S(=O)(=O)NCCCc1nc2cc(Cl)ccc2[nH]1,3.398339897
CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1,1.027920136
Cc1cc(OCc2ncc(C(C)(C)C)o2)nn1C,2.816379854
O=c1cc2c(n[nH]1)-c1cnc(N3CCCCC3)nc1CC2,2.039826404
c1cc(CNc2ncc(-c3cnccn3)c(C3CC3)n2)ccn1,3.117910332
O=C(NC1CC1)c1cccnc1Oc1ccccc1,1.06807449
COc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(Cl)cc1Cl,2.646507631
COc1ccncc1NCc1ccc2c(c1)OCCO2,2.75575979
O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1,2.788388292
O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCc2ccccc2C1,3.004011237
COc1ccc2nc(CN3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1,2.800172495
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)oc(C)c1C,2.086619618
Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1,1.027920136
Cn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1,2.360875405
CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1,2.471762431
Cc1cc(NC(=O)CCc2cnn(C)c2)c2ccccc2n1,1.397592434
COCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)NC(C)C)CC1,2.757490166
CN(C)C(C)(C)CNc1ncnc2ccccc12,2.466869103
CC(C)Oc1ccc(C2(C(=O)NC3CCS(=O)(=O)CC3)CCCC2)cc1,2.321453434
CCN(CC)C(=O)N1CCC(C(=O)O)CC1,1.027920136
O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1,2.595374955
COc1cccc(OC)c1-c1ccc(OCCN2CCCC2)cc1,3.360202297
O=C(Cc1ccc2c(c1)CCC2)Nc1nc2ccccc2o1,3.188676267
Nc1nn(C(=O)Cc2ccc(F)cc2)c2cccc(F)c12,1.798761104
Cc1ccc(C#N)c(NCc2ccccc2-n2ccnc2)n1,2.793372647
COCCS(=O)(=O)N1CCC2(Cc3ccccc3C2)C1,2.950686561
O=C1NCCCCC1NC(=O)N1CCc2sccc2C1,1.671635597
CCONC(=O)c1sc(C)nc1C,1.027920136
Cn1c(=O)oc2cc(NC(C3CC3)C3CC3)ccc21,2.268596691
CNCCN1CCC(OCc2ccccc2)CC1,2.154019011
CCOc1ccc(-c2ccccc2NC(=O)COC)cc1,3.62353676
Cc1cc(C)c2[nH]c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c(C)c2c1,3.281688408
COc1ccc(-c2ccc(CN(CCN3CCOCC3)Cc3cccnc3)cc2)cc1,3.199491614
O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCCO4,1.027920136
COc1ccc(CNCc2cccc3ccccc23)cc1,2.792058836
Cc1ccc(C(=O)NCC#Cc2ccccc2)cn1,1.274134748
CC(=O)N(CC(N)=O)c1ccc(C)cc1,1.631200171
O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCNC1,2.535463753
COc1ncnc(C)c1-c1cccc(OC(C)C)c1,3.025720705
CCNC(=O)c1ccnc(-c2ccc(F)c(C)c2)c1,3.029882321
CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cnn(C)c1,2.128295853
CCn1ccc2cc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)ccc21,2.415362368
Cc1c(C(=O)NCCc2cc3nc(-c4ccco4)ccn3n2)cnn1C,2.237995893
c1ccc(Cc2cccc3cc4c(nc23)OCCNC4)cc1,3.048037621
N#Cc1ccc(OCCn2cccn2)cc1,1.027920136
COc1cc(-c2cnc(NC3CC3)nc2-c2cccs2)nc(OC)n1,2.686076509
CCc1nc2ccccc2n1CC(=O)N1CCNC(=O)C1,1.027920136
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,2.098307926
O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccnc2)CC1,2.781462396
Cn1cncc1CCNC(=O)[C@H]1CC1(C)C,1.027920136
CCOC1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1,2.591440833
Cc1nc(NCc2scnc2C)n(C)n1,1.027920136
O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1,1.896779666
Cn1nccc1C(=O)NCCc1cc2nc(-c3cccs3)ccn2n1,2.751771641
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,2.150962029
O=C(Cn1ncc2ccccc21)Nc1ccc2c(c1)CCO2,2.323165439
COc1cccc(F)c1NC(=O)N1CCC(N2CC=CC2)CC1,2.560247466
CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1,2.172588338
COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12,2.625246581
CC1(C)Cc2cc(CN3CCC4(CC3)NC(=O)N(Cc3ccccc3)C4=O)ccc2O1,2.468611667
Cc1ccccc1COC1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1,2.575491514
CCc1noc(C2CCC(NCC3CCC(F)(F)CC3)CC2)n1,2.379492251
O=C(CC1c2ccccc2CCc2ccccc21)NCCN1CCOCC1,3.305804777
Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCCC1,1.027920136
Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1,2.340313212
COc1ccc(CNC(=O)CCSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)cc1,2.392191039
Cc1ccc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)cn1,1.882877294
Cc1nc(C)c(C)c(NCc2cc(-c3ccc(F)cc3)no2)n1,2.384555906
CC(C)CN(Cc1cnn(C)c1)C(=O)c1cccc(-c2cnccn2)c1,3.676246468
O=C(Nc1ncccc1OC(F)F)C1CCCCC1,3.038994297
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)C)cc2)CC1,3.298423152
CC(C)c1noc(CN(C)C2CCCC2)n1,2.817506534
Cc1ccc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)cc1C,3.41640083
CC1CCC(N(Cc2nnc(C3CCC3)o2)C2CCC(O)CC2)CC1,3.208045043
c1ccc(-c2ccc(Cn3ccnc3-c3cc4n(n3)CCCNC4)cc2)cc1,2.600990311
CC1(C)COCCN1Cc1cnn(-c2ccccc2)n1,3.02917754
CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@@H](O)CC4)c3)c2C1,2.032219736
O=C(O)c1ccccc1-n1cnc(CN2CCCC2)c1,1.027920136
CCc1nnc(Oc2cccnc2)c(C#N)c1CC,1.333507729
CCOc1ccccc1CNCCc1c[nH]c2ccccc12,3.335979142
O=C(NC1CCCC1)C(=O)c1ccc2c(c1)CCC2,2.957847591
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2,2.556304914
CCN1CCCN(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1,2.457959064
Cc1nc(-c2ccccc2)nc(O)c1C,1.735087664
Cc1ccc(C(=O)NCCc2csc(C)n2)cn1,1.051846838
CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.027920136
Cc1cccc(Oc2cc(CN)ccn2)c1C,2.721654835
Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)c2c(C)nn(C)c2n1,1.875477986
O=C(CSc1ccc2c(c1)OCCO2)NC1CCCC1,3.765053253
CSCCc1nc(-c2cc(C)nc3cc(F)ccc23)n(CCO)n1,2.166385705
CC(C)CCNC(=O)c1ccc2ccccc2n1,2.805974993
CCc1ccc(-c2nccn2Cc2c(C)nn(CC)c2C)o1,3.480109321
Cc1nn(C)c2ncnc(N(C)Cc3cccc(Cl)c3)c12,2.814166324
CCc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)s1,2.021900133
N#CCCCN1CCN(c2cc(C#N)ccn2)CC1,2.255197704
Cn1c(=O)n(C)c2cc(CN3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)ccc21,2.033885953
c1cc(-c2noc(CN3CCOCC3)n2)ccn1,1.474667812
Cc1cc2ccccc2n1CC(=O)N1CCc2ccc(O)cc2C1,2.658493149
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCOCC3)C2)cc1,2.764442906
Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3CCCCCC3)c2C)n1,2.919948425
Cc1cc(C)c(-n2cccn2)c(-c2cn(C[C@@H]3CCCO3)nn2)c1,2.704983974
CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1,2.148278664
Cn1cc(CN2CCCC(c3ccnc(Nc4cnccn4)c3)C2)cn1,2.253381626
COc1cc(C)cc(OC)c1-c1ccc(OCC(N)=O)cc1,2.403695195
Cc1cc(C)cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1,2.430890608
O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1,3.584599974
COCCN(C)c1ccc(CN2CCOC3(CCCC3)C2)cn1,2.801295294
CC1=CCN(C(=O)c2cc(C)nc3cc(C)cc(C)c23)CC1,3.329441815
Cc1ccc(C)c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,3.288203602
Cn1cc(CN2CCc3nc4ccccc4c(=O)n3CC2)cn1,1.298460069
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1,1.451479405
CCCS(=O)(=O)c1nc(NC2CC2)cc(-c2ccc3c(ccn3C3CC(C)(C)NC(C)(C)C3)c2)n1,2.09095251
CONC(=O)c1c(C)nn(C)c1Cl,1.027920136
CNC(=O)CN1CCCN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1,1.943123377
CCc1nnc(NC(=O)Cc2cccc(F)c2)s1,1.882649742
Cc1nc2ncc3c(n2n1)CCCC3=O,1.027920136
Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C,3.295722319
Cn1cc(Nc2nccc(N3CC4CCC(C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1,1.511656132
Cc1cc(Oc2cnccn2)ccc1N,1.494418988
Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2[nH]c(C#N)cc12,2.235889367
N#Cc1nc(-c2ccccc2)oc1NCc1ccc2c(c1)OCO2,2.849160111
CCSCc1nc(N)c2ccccc2n1,2.081602912
c1cncc(-c2nnc3n2[C@H]2CN(Cc4cccs4)C[C@H]2CC3)c1,2.535470081
CSCC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1,2.98222011
Cc1ncn(Cc2noc(-c3ccccc3O)n2)c1C,2.683729479
O=C(CCNc1ncccn1)N1CCc2ccccc2C1,2.164453981
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(OCC3COC3)cc2n1,1.858140016
CO[C@@H](C(=O)Nc1cc2c(C)cc(=O)oc2cc1C)c1ccccc1,2.408757078
N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)c1,3.301600935
CC(c1ccccc1)N1CC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O,2.657034807
Cc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1,1.451187525
O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCCc2ccccc21,3.223718093
CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC,2.562956293
CCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1,1.587542601
CSC1(CNc2cncc(Cl)n2)CCOCC1,2.722796752
CC(=O)Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1,2.641757598
Cc1ncc(CCN2C(=O)NC3(CCCC3)C2=O)s1,1.803218051
Cc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1,3.597022606
Cc1cc(C(=O)NCCc2ccccn2)c(C)s1,2.365796748
Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1,1.027920136
Cc1nc(O)c2c(n1)CN(Cc1ccccc1)CC2,1.027920136
Cc1nc(C)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)s1,1.704476544
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12,2.034439941
Cn1c(=O)n(Cc2cccc(OC(F)F)c2)c2cnccc21,2.32059697
COc1cc(OC)cc(-c2c(C)ncnc2OC)c1,2.030190734
c1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1,1.32362331
CC(C)(C)NC(=O)NCCn1nc2c(cc1=O)CCCC2,2.020725804
CSc1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,3.669126847
O=c1c2cccc(C(F)(F)F)c2ncn1C1CCCC1,2.500527371
O=C(Nc1ccc2c3c(cccc13)CC2)c1ccnc(-n2cncn2)c1,2.215182677
c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,1.683758266
CCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,3.004767908
CN(Cc1c(F)cccc1Cl)C(=O)C1(C#N)CCCC1,3.098164526
CN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4cccs4)n3)C2)c1,3.559495825
N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1,1.849836922
Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1,1.027920136
O=C(CCc1cn[nH]c1)NCCCn1cc(Cl)cn1,1.446148676
CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1,2.818199492
CN(C)c1ccc(-c2ccc(COCc3cccs3)cc2)nn1,2.613046473
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1,2.516764029
COc1ccccc1-c1cc(C(C)(C)C)nc(-c2ncccn2)n1,2.228346454
CC(C)CC(=O)NCC(=O)N1CCCC1,1.027920136
CS(=O)(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1,2.44421192
Cc1nccc(NC(=O)c2ccc(Cl)nc2Cl)n1,1.182072104
COC(=O)c1cccc2c1CCCN2C(=O)c1ccccc1,3.310941925
Cc1cc(C)nc(N2Cc3ccccc3C2=N)n1,3.066215194
CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1,2.675280542
Cc1csc(CCNc2ncccc2C#N)n1,2.942744984
CC(C)CCNC(=O)CSc1nc2ccccc2[nH]1,3.043819913
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,2.607477542
Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,1.874377435
Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,2.034720679
O=C(c1ccc(O)nc1)N1CCN(c2ncccn2)CC1,1.027920136
Cc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1,2.407188583
Cc1cccc(N(C)Cc2cnc(N(C)C)nc2)n1,3.248238669
CC(C)NCC(O)COc1cccc2ccccc12,3.318275952
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccn1,2.217615529
Clc1ccc(-c2ccc(CNCC3CCCO3)o2)c(Cl)c1,3.019742553
Cc1cc(-c2cnn(CCNC(=O)c3sc(C)nc3C)c2C2CC2)on1,2.088444417
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,1.593894982
COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)cc1,2.950275747
CSCC(=O)N1CCN(C(=O)CSC)C2(CCCCC2)C1,2.938697809
N#Cc1ccc(C(=O)N2CCCO2)nc1,3.007036027
CCn1nc(CNC(=O)C2CCOCC2)c2ccccc21,2.051025111
Cc1cc(C)nc(CNC(=O)CC2CCNCC2)n1,1.027920136
O=C(NCC1(Sc2ccccc2)CC1)c1ccc(=O)[nH]n1,2.753397659
CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OC,2.187043863
O=C(O)Cc1ccc(Oc2ccncc2)cc1,1.027920136
Clc1ccc2c(NCCN3CCOCC3)ncnc2c1,2.329078398
CS(=O)(=O)NCc1cc2n(n1)CCN(C1Cc3ccccc3C1)C2,1.441930675
CCCNC(=O)C1(Cc2ccccn2)CCOCC1,1.027920136
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)COc2ccc(F)cc2)n1,2.388197148
COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(C)cc4)on3)CC[C@@H]2O)c1,3.025956001
COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1,1.419162396
Cc1oc2ncnc(NCc3cc(F)cc4c3OCOC4)c2c1C,3.309033241
O=C(NCCc1ccc2c(c1)OCO2)C1CCCC1,2.778333616
O=C(c1cc(F)ccc1O)N1CCN(C2CCOCC2)CC1,2.30227247
CCCn1ncc(CN2CCC(c3ncc[nH]3)CC2)c1C,2.69734139
CC(=O)N1CCCN(Cc2c(C)nn(C)c2Cl)CC1,1.640908565
Cc1oc2ccccc2c1CNc1nnc(-c2ccncc2)o1,2.149366932
Cc1ccccc1-c1nc(Cn2ccnc2C(C)C)c(C)o1,3.43425888
COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1noc(C)n1)C2,2.973013259
CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1,1.497593031
O=C(NCCc1cn2c(n1)CCCC2)c1ccccn1,1.426202103
Cc1cc(Br)ccc1CN(C)C(=O)CO,1.455819024
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,1.702215059
CCCn1cc(CNC(=O)CN2CCCC2)cn1,2.403156568
Cc1ccc(OCCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1,3.188219542
Cc1sc(NC(=O)CN2CCOC(C3CCCO3)C2)c(C)c1C,2.267669121
CCOC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1,2.595324234
Cc1ccc(OCC(=O)Nc2cc(C)on2)nc1,1.027920136
CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1,2.715512815
NC(=O)COc1ccccc1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1,3.027327179
c1ccc(CO[C@@H]2CCC[C@H]2n2cc(-c3nccs3)nn2)cc1,3.479500594
Oc1ccc(-c2noc(-c3cccnc3)n2)cc1,1.899426505
CNC(=O)Cn1ccc2cc(OC)ccc21,1.999652425
CCc1cc2c(N(C)CCO)ncnc2s1,2.142730385
CC(C)(C)c1nc(Cn2nnc3ccccc3c2=O)no1,2.076582194
O=C(Cn1ccnc1)NCc1ccccc1F,1.027920136
Cc1ccc(C2=NC3(CCN(Cc4ccc(F)cc4)CC3)NC2=O)cc1,2.825713605
CCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,2.421750312
Cn1nccc1CC1CCN(C2CCCC2)CC1,2.410927313
O=C(Nc1ccn(CC(F)F)n1)NC1CCN(C2CCCC2)CC1,1.027920136
COc1ccc2c(c1)CCCN(C(=O)NCCc1ccccn1)C2,3.144810126
CCCC(=O)Nc1ccc(C)c2ncccc12,1.449200609
COc1cccc(CN(C)c2cc(N3CCCC3)ncn2)n1,3.649253348
CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n21,2.433891387
O=c1cc(CN2CCCCc3ccccc32)[nH]c2ccnn12,2.682066517
CS(=O)(=O)Cc1ccn(-c2ccccc2)n1,1.027920136
c1csc(Cc2nc(-c3cnccn3)no2)c1,1.907610188
Cn1cc(CNc2ncccn2)c(C(C)(C)C)n1,2.559899447
COc1cc(CN(C)C(=O)Nc2cccc(C)c2C)ccc1O,2.135615992
Cc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3F)nn2)cc1,3.038174513
Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N(C)C)n1,2.563052513
CN1CCC(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1,1.027920136
CC(C)(C)c1nc(O)c2nnn(C3CCNCC3)c2n1,1.027920136
Cc1cccn(Cc2ccccc2F)c1=O,1.783167226
CN(Cc1ccc(N)nc1)c1nc2cc(F)ccc2o1,1.764101376
CC(C)(O)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1,1.843743412
O=C(O)c1cc(Cl)cc2cccnc12,1.027920136
CCCn1ncc2[nH]c(C3CCCCC3)nc21,1.922611292
CCCc1cc(-c2nn3c(C4CCCC4)nnc3s2)n(C)n1,3.347750248
Cc1ccccc1OCCCNc1cc(Cn2c(C)nc3ccccc32)nc(N)n1,3.327467852
COc1ccccc1-c1nc(C(=O)O)cs1,1.027920136
Cc1cc(C(=O)Nc2cccc3ncccc23)on1,1.044304519
CC(C(=O)Nc1ccccc1)N1CCCN(c2nccs2)CC1,3.304632684
CN(c1ncc(F)cn1)[C@H]1CCCNC1,1.027920136
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F,1.346613012
CC1(C)CCN(C(=O)NCCOc2cccnc2)C1,1.680553059
CCc1ccccc1-c1cn(CCc2cnccn2)nn1,2.461999462
CSc1ncccc1C(=O)Nc1ccc(N2CCCCC2=O)cc1,1.251516552
O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cn1,1.691982757
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(C#N)c1,2.117890801
Cc1nc(C)c(CNc2cnn(-c3ccccc3)c2)s1,2.0950612
Fc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12,3.332564892
Cc1nc2cc(NC(=O)CCc3c(C)noc3C)ccc2o1,1.894609555
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2Cl)CC1,3.553730633
Cn1nc(-c2cc(F)cc(F)c2)cc1N,1.687858793
C#CCN1CCN(Cc2nc(O)cc(C(F)(F)F)n2)CC1,1.027920136
CN(C)C(=O)C(C)(C)NC(=O)OC(C)(C)C,1.385945713
Cc1ccc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)s1,3.182090951
Cc1noc(C)c1CSC(=N)N1CCOCC1,1.027920136
CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1,2.646919084
N#Cc1c(Cl)nc(N)n1-c1ccccc1,1.44294987
CC(=O)NCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1,1.467030635
Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)n1,3.388510958
CCC(=O)Nc1sc2c(c1C#N)CCC2,2.580826935
COc1ccccc1NC(=O)CN1CCCN(c2nc(C)cs2)CC1,3.290326493
CCOc1ncccc1-c1nc(C)cc(NC)n1,1.41715603
Cc1nccn1-c1cncc(N2CCN(CC3CCCC3)C(=O)C2)n1,2.732459703
CCOc1ccc(OCCN2CCN(C(C)=O)CC2)cc1,1.242093984
COc1ccc(C(=O)c2ccc(C)cc2)c(OC)c1,3.478520755
CN(C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12,3.253160083
Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)sc3C)CC2)no1,1.971507782
CCN(Cc1ccccc1)C(=O)c1cccnc1N,2.23981482
CC(C)NC(=O)CN(C#N)c1ccccc1,1.027920136
Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12,2.279532347
CN(C)c1ncncc1NC(=O)c1ccc(C(F)(F)F)nc1,1.027920136
COCCNc1ncnc2ccsc12,1.36078269
Cc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1C,2.425750988
COc1ccc(OC)c(Cn2cnc3cn(C)nc3c2=O)c1,1.7059321
Cc1noc(C)c1-c1cc(-c2ccccc2Cl)nc(C2CC2)n1,2.160243372
CN(C)C(=O)CCNc1ccnc2ccc(Cl)cc12,1.863685612
Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCC1,2.50408193
CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCC1,2.030356805
CN(C)C(=O)Cn1cc(C(=O)O)ccc1=O,1.027920136
CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(F)cc1F,3.294209101
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)C2CCCC2)n1,2.396668271
COc1ccccc1OC1CCN(Cc2ccccc2C#N)CC1,3.177943478
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)O)N(C)C1,1.946098397
O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1,1.719480446
Cc1nc2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)ccc2n1C,1.393452355
O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12,3.061235655
Cc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)cn1,2.401515993
O=C(CSC1CCCC1)N1CCC(n2ccnn2)CC1,2.139529622
O=C(O)CNc1nc(-c2ccccc2)nc2ccccc12,1.467815215
Cc1nc(O)cc(C2CCN(c3cnccn3)CC2)n1,1.304081029
CCCN1CCn2nc(-c3nc4cc(OC)ccc4[nH]3)cc2C1,2.447564217
O=C(O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1,1.027920136
CCCN(Cc1ccccc1)C(=O)CC1(N)CCC1,2.860404493
CCn1nc(C2CCCC2)nc1-c1ccncc1,2.567680258
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3)C2)n1,2.821966583
C[C@@H](NC(=O)N1CCC2(CCOCC2)CC1)c1ccc(F)cc1,2.375389236
CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\O)[nH]2)cc1,2.232536175
COCCc1nc(-c2cnc(C3CC3)nc2)n(Cc2ccc(F)cc2)n1,3.01474183
CC(C)=CCOc1cccc(C(=O)NN2CCOCC2)c1,2.770149948
CC(C)Cn1cnc2c1c(=O)[nH]c(=O)n2CC(C)C,1.868850077
CC(C)(C)N1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1,1.815119306
CCN(CC#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2,2.598360375
Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1,3.5569184
CC(=O)N1CCC2(C=Cc3cc(C)c(C)cc3O2)CC1,3.00812048
CC(C)c1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1,2.57847417
Cc1cccc(C)c1CNC1(CCO)CCOCC1,1.871018039
O=C(CCN1C(=O)CCC1=O)Nc1cccc2ncccc12,1.027920136
Cn1cc(C(=O)O)c(C2CCCCC2)n1,1.027920136
Cc1nc2ccccc2c(N)c1C(=O)/C=C/c1ccccc1,2.9648011
CC(C)Cc1n[nH]c(-c2ccc(N3CCN(C)CC3)cc2)n1,2.373252312
COC(=O)C1=NOC2(CCN(CCC(C)(C)C)CC2)C1,2.478225852
Cc1cc(Cl)n(-c2ccc(C#N)cc2)n1,2.491841954
COc1cc(F)c(NCC(=O)Nc2ccc(C)cc2)cc1OC,2.42911571
O=C(NC1CCCC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,2.666326999
Cc1ccc(=O)n(CC2(O)CCN(Cc3ccc4ccccc4n3)CC2)n1,1.954541587
CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1,3.02332367
Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)CCO4)cc12,1.683101096
Cn1nc(N)c2ccc(Br)cc21,1.976611303
Cc1ccc2[nH]c(CNC(=O)c3ncoc3C)nc2c1C,2.387647835
O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1ncc(Cl)cn1,1.575441879
COc1ccccc1/C=C/CN1CCCC2(C1)OCCO2,3.337657494
COc1cccc(CN2CCc3nc(-c4cnccn4)nc(O)c3C2)c1,1.424407899
O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3ccsc3)no2)CC1,2.419407167
Cc1cccc(CNC(=O)Cn2c(=O)oc3cccnc32)c1,1.027920136
Cc1cc(N(C)C)nc(N(C)Cc2csc(C)n2)n1,2.833233197
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)c2oc3ccc(Cl)cc3c2C)n1,2.924283422
Cc1cc(-c2cccc3ccnn23)nc(N2CCCC2)n1,3.203646343
Cc1nc(CCNc2cnccc2C#N)cs1,2.591743357
O=S(=O)(c1cn[nH]c1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,2.59522167
Cc1ccc(NC(=O)OCC(F)(F)F)cn1,1.547122159
CN(Cc1cnccn1)Cc1nc(N)c2ccccc2n1,2.661308081
C1CCC(OCc2noc(C3CC3)n2)CC1,2.570284855
CCC(=O)Nc1ccc(F)c(NC(=O)N2CC=C(C)CC2)c1,1.836083478
Nc1ccccc1OCCn1ccnc1,1.485352261
CC1CCC(O)(CSc2nncn2C(C)C)CC1,2.33018642
CN(C(=O)c1cccc(C(=O)O)c1)c1ccccc1,1.027920136
O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCO4,1.459543258
O=C(C1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1,3.181841302
CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1,2.671385411
CCCn1ncc(CN2CCC(c3cc4cccnc4[nH]3)CC2)c1C,2.303200379
Cc1nn(C)c2nc(N3CCN(C)C[C@@H]3c3ccccc3)sc12,2.704210593
COc1ccc(C)cc1-n1ccc(C(=O)NC(C)C)n1,2.524216914
CCNc1ccnc(N(C)Cc2nc3ccccc3n2C)n1,2.637424681
Fc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1,2.792201119
Cc1nn(C)c(C)c1CCC(=O)N1CCN(C)Cc2ccccc21,2.44494058
COc1ccc(-c2c(C)n[nH]c2C)cn1,1.717878449
CC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C,1.027920136
C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,1.027920136
Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccc(F)cc4C)cc32)cc1,3.38298213
Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1,1.795024484
O=c1oc2cccnc2n1Cc1cnn(-c2ccccc2)n1,1.803805231
CC(C)c1cccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1,3.623332729
COc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC(C)C,3.375901268
Cc1ncsc1C(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cccc(Cl)c1,3.077711934
COc1ccc(CN(C)c2ncncc2Br)cc1O,2.325086493
Cc1cc(Br)cn(Cc2ccc(C#N)cc2F)c1=O,2.009990242
c1cnc(NCCc2cccc3cccnc23)nc1,2.943789222
CON(C)C(=O)c1cccc2c(C)c(C)[nH]c12,2.291526465
Cc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1,3.369321078
CCc1nc(CN2C(=O)COc3ccc(F)cc32)cs1,3.096984358
Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc32)cc1,3.35375207
N#Cc1ccc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1,1.835290964
Cc1cc(C)n(-c2cc(Nc3ccccc3C)ncn2)n1,2.456921453
CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2,2.184980864
CCN(C(=O)c1cc(NC(C)=O)ccc1F)C1CCCC1,3.34388635
CCNC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1,1.027920136
CSc1nnc(CCCNc2cc(C)ccn2)n1C1CCCC1,3.508117314
Cc1nc(C)c(C(=O)NCc2ncoc2C)s1,1.027920136
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(\C)[C@H]1OC(N)=O)C2=O,1.866807
CSc1ccccc1S(=O)(=O)NC1CCC(CN(C)C)CC1,2.64349413
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,1.927252276
CN(CC(=O)Nc1ccncc1)C1CCCC1,2.594630077
CN(C)CCN(Cc1ccccc1)Cc1ccccc1O,3.140291785
O=C(c1nccc2ccccc12)N1CCC(COc2ccccn2)CC1,3.733402884
COc1nc2c(cc1CNC(=O)N1CCC[C@@H]1CO)C(=O)N(C1CCCC1)C2,1.839320894
CC(=O)Nc1ccccc1CN1CCC(c2nnc3ccccn23)CC1,2.058422228
C/N=C(\NC#N)NCCSCc1nc[nH]c1C,1.027920136
Cc1ccc(OCc2noc(-c3ccsc3)n2)cn1,2.309430005
Cn1c(CNC(=O)Cc2ccccc2)nc2ccccc21,1.952506693
Fc1cccc(CN2CCN(c3ncccn3)CC2)c1,3.048810681
CCc1noc(CN2CCCN(C(C)=O)c3ccccc32)n1,2.931718674
Cn1ccc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)n1,2.118800235
O=c1c2ccccc2nc2n1CCN(Cc1ccc(F)cc1)CC2,2.75236579
OCCC1(CNc2ncc(Br)cn2)CC1,1.913294507
COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2CN2CCCC2)cc1,2.442799493
COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CC2)cc1,2.425389105
CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C,2.91951792
Cc1nc(CS(C)(=O)=O)sc1C(=O)Nc1ccccc1,1.027920136
Cc1cnc(CNC2(c3nccs3)CCCC2)cn1,2.389173175
CN(CCc1ccccn1)c1cnc2ccccc2n1,2.935338453
Cc1cc(C)n2nc(C)c(C(=O)NCC3CC3)c2n1,2.02382017
CC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1,1.788111782
O=C(NCCN1CCc2ccccc2C1=O)c1ccon1,1.750438964
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCNC1,2.012651661
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1,2.591679978
Cc1ncccc1CNc1nnc(C(C)(C)C)s1,1.284566077
N#Cc1cccnc1Nc1cnn(Cc2ccccc2)c1,2.929307528
CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)COc2ccccc21,2.015812259
Cc1cccc(NC(=O)C(=O)c2c(C)nn(C)c2C)n1,2.36398783
Cc1ccc2c(c1)c(Cn1ccnc1-c1cccc(C)n1)nn2C,3.28260127
COc1cc2nc(N)sc2cc1OC,1.098920479
CCc1nnsc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,2.1507902
Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)O)c12,1.027920136
NCCCc1nc(-c2ccncc2)cs1,2.378399718
Cc1nc(N2CCc3c(ncn3C)C2)c2c(C)c(C)sc2n1,2.816373226
O=C(NCCCn1ccnc1)N1CCC12CCC2,1.444591226
O=C(CCCOc1ccccc1)N1CCCC1,2.469131012
Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,2.208589142
Cc1n[nH]c(C2CCN(C(=O)NC3CCN(c4ccc(F)cc4)CC3)CC2)n1,1.583720068
CN1CCC(n2ncc3[nH]c(-c4ccc5ccccc5c4)nc32)CC1,2.967422537
Cc1cc(CSCc2c(C)noc2C)no1,3.281587592
Cc1ccccc1-n1c(CC2CCN(C(=O)C3CC3)CC2)n[nH]c1=O,1.428750149
Cc1cc(N(C)C)nc(-n2cnc(C#N)n2)n1,1.898648406
COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1,2.138776216
CC(C)c1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1,3.251088983
CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2,2.413735517
CCc1nc(CNc2ccc(C#N)nc2)cs1,2.035977764
CN(CCC#N)Cc1cc(C#N)ccc1F,1.027920136
Cc1[nH]nc(CCC(=O)NCCCOC2CCCC2)c1C,3.382484243
Cc1ccc(-n2cc(C(=O)NCCN(C)C)nn2)cc1C,2.276638703
CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(Cc4cccs4)C3)c2n1,2.99962113
Cc1cc2nc(Sc3nnc(C)n3C)c3ccccc3n2n1,1.543732888
O=C(CN1CCc2ccccc21)N1CCNC1=O,1.210586025
CC(C)CC(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)NC(C)C)CC1,2.841433307
CC1CCN(C(=O)c2n[nH]c3ccccc23)CC1,2.96168017
Cc1ccc(-c2cnc3ccccc3n2)cc1N,2.307496038
N#CCc1ccc(OCc2ccncc2)cc1,2.571881118
Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1,2.210449618
CCCC(=O)N1CCC(c2cccc(C)n2)CC1,2.645975102
O=C(Cc1ccc(F)cc1)NCCn1cccnc1=O,1.355125725
Cc1ccnc(NCc2cccnc2)n1,1.217904874
COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC,1.70588081
O=C(CN1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCC1,3.058701926
COc1nccnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1,2.47454696
Nc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl,1.571266162
O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,1.572453363
CCCCNC(=O)c1ccc2c(c1)nnn2C,1.027920136
Cc1ccccc1-n1nc(C(C)(C)C)cc1N,1.027920136
O=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl,1.968889034
O=C(NCCc1ccc2c(c1)OCO2)Nc1ccncc1,1.43611492
Cc1cccc(OCC(=O)Nc2ccn(C)n2)c1,2.680598368
O=C(O)c1cc(/C=C/c2csnn2)nc2ccccc12,1.027920136
Cc1cnc(N2CCSCC2)nc1N1CCSCC1,3.421202842
Cn1cc(-c2nnc(NCc3ccc4ccccc4c3)o2)cn1,1.665796678
Cc1ccc(F)c(-c2noc(N)c2C)c1,2.466183772
C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1,2.506747142
O=C(COc1ncnc2ccccc12)NC12CC3CC(CC(C3)C1)C2,2.669835492
C[C@@]1(c2ncncc2F)NC(=O)c2cc(-c3cn[nH]c3)ccc21,1.542707193
COc1cccc(OCCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1,2.546181012
C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)CCc1ccccc1,3.552021768
Cc1nccc(-c2cccc(-n3ccnc3C(C)C)c2)n1,2.698558098
C#CCOc1ccc(C(=O)NN2CCCC2=O)cc1,1.027920136
Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1,2.247907013
N#Cc1cccnc1NCCc1ccc(F)cc1,3.062367604
C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O,2.195542665
O=C(O)c1ccc(CCC(=O)N2CCc3c(F)cc(F)cc3C2)cc1,1.027920136
Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Cl)cc3)sc2n1,3.188084374
CON(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1,2.537113581
CCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,2.338910472
CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O,2.20306826
Cc1ccc(-n2cc(C)cn2)c(NC(=O)CN(C)C)c1,2.639512387
Cc1ccc2nc(CN(C)Cc3cccc(Cl)c3Cl)cc(=O)n2c1,3.678935993
COc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1,2.691249517
Cc1ccnc(NC(=O)CN2CCCC2=O)c1,1.027920136
Cn1c2cc(S(C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21,1.695507944
Cc1cc(C(=O)O)nn1-c1ccccn1,1.027920136
N#Cc1cc(F)c(N2CCN(CCO)CC2)c(F)c1,1.027920136
Cc1ccc(CN)c(-n2cc(Cl)cn2)n1,1.437433444
CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1,1.247948729
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c12,1.027920136
C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1,3.319202281
CC(=O)N1c2ccccc2C[C@H]1C(=O)O,1.027920136
O=C1CSc2ccc(C(=O)Nc3cc(C4CC4)n[nH]3)cc2N1,2.382882966
COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)s2)c1,1.684324614
Cc1nn(C)c2nc(-c3ccncc3)cc(C(=O)O)c12,1.027920136
CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1,2.99170398
NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl,1.152288344
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1,1.28368559
COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1,1.511789811
Cc1noc(Cc2ccc(C)c(O)c2)n1,1.717678823
Cc1cc(CCCC(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)ccc1F,2.90742426
CN1CCC(CNc2nccc3cccnc23)CC1,3.182323047
CCCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)n2ncnc2n1,2.261824114
c1ccc(OCCN2CCN(c3ncccn3)CC2)cc1,2.712684208
CN1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1,1.040087843
CCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1,2.638016249
CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC=CCC2)CC1,3.432739262
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,1.027920136
Cc1n[nH]c(C)c1CCCN(C)c1cncc(C(=O)N(C)C)n1,2.723184667
O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)C1CCCCC1)C2,3.041562816
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,1.180527283
Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n1,2.548213699
O=C(CC1CCCC1)NCc1nnc2n1CCC2,1.027920136
Cc1cc(C)n2nc(C)c(C(=O)NCCc3nnc(C)s3)c2n1,1.519565501
CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1,2.223550451
CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12,2.094921611
O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1,3.399066496
Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cn1,1.027920136
c1ccc(-c2noc(NCC3CCC3)n2)cc1,2.87011057
Cc1ccc(O)c(CN2CCC(c3nc4ccccc4o3)CC2)n1,2.360602879
CCCc1ccc(-c2cccc(C(=O)N3CCN(CC(N)=O)CC3)c2)cc1,2.849214197
COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(F)c4)[C@H]23)cc1,3.293540435
O=C(NCC1CCC1)c1ccc(-n2ccnc2)nn1,1.701403906
CC(=O)N1CCCC(C(=O)N2CCc3c(cccc3C(C)C)C2)C1,2.704202011
COCC1CCN(c2noc(-c3cccs3)n2)CC1,2.511771098
COc1ccc2c(c1)CN(c1nc(C)cc(C)n1)CC2,2.684467433
CCONC(=O)c1cncn1-c1ccc(F)cc1,1.027920136
Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1,2.296487488
Cc1cc(NC(=O)CN(C)CCOc2ccccc2)on1,2.793825993
Oc1cncc(/C=C/c2nc(-c3ccncc3)no2)c1,2.378980809
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,3.566639684
O=C(Cc1c(F)cccc1Cl)Nc1cccc2cnccc12,2.458865888
O=C(CSC1CCCC1)NCCn1nc2c(cc1=O)CCCC2,3.073010809
FC(F)(F)c1nccc(NCCSc2nc3ccccc3o2)n1,2.873189771
CC(C)c1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1,2.662133321
NCCc1cnn(Cc2ccccc2)c1,1.027920136
Cc1ccc2nc3c(c(C(=O)NCc4cnn(C)c4)c2c1)CCCC3,1.869654071
O=C(Cc1cccc(I)c1)N1CC(CO)C1,1.027920136
Cc1noc(C2CCN(CC(N)=O)CC2)n1,1.473282548
O=C(CCCc1nc2ccccc2[nH]1)N1CCCC1,1.929541533
Cc1nc(CCN2C(=O)NC(C)(C)C2=O)cs1,1.336939794
Cc1ccc2occ(CN3C[C@H]4CCCN4C[C@H]3C)c(=O)c2c1,2.980279322
Nc1ncc(-c2cccc(C(F)(F)F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1,3.177817186
Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1,1.027920136
CC(=O)N1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)c2ccccc21,2.514669922
CN(C)CCSc1nnnn1-c1ccc(Br)cc1,3.239850821
CN(Cc1cscn1)c1nc2c(cc1C#N)CCC2,3.073361239
Cc1cccc(NC(=O)c2ccc3ccccc3c2)n1,2.320545072
O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@H]3CCC[C@@H]3C(=O)O)cc2)cc1,1.375736752
COCC1(CNS(=O)(=O)c2ccccc2)CCC1,2.998378797
O=C(c1ccc(F)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1,2.124628105
CCOc1ccc2nc3c(cc2c1)CN(CCOC)C(=O)O3,2.333197307
Cn1ccc2c(C(=O)Nc3ncn(Cc4cccnc4)n3)cccc21,1.490295665
CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1,2.375154963
Cc1noc(OCC(=O)N2CCCCCC2)n1,1.027920136
CC(C)C(=O)N1CCC(Nc2ncnc3ccsc23)CC1,1.283323848
Nc1nc(N2CCN(CC3CCCC3)C(=O)C2)cc(-n2cccn2)n1,3.062005174
CC1CN(C(=O)c2cccnc2N2CCOCC2)CC(c2ccccc2)O1,2.743158424
CC(=O)NCCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1,2.858805992
CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21,2.061022496
CC(C)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1,2.784010711
CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1,2.374445884
Cc1cnc(-c2nc(NCc3ccccn3)ncc2-c2onc(C)c2C)cn1,3.015880513
Cc1nc(NC2(c3cccc(Cl)c3)CC2)c2c(C)noc2n1,2.405223381
CN(c1ncc(Br)cn1)C1CCS(=O)CC1,1.410541048
O=C(NC[C@]1(O)CCN(Cc2cccs2)C[C@H]1O)c1c[nH]cn1,1.027920136
O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,3.650157389
Cc1ccnc(NC(=O)c2ccnc(C)n2)c1,2.754764081
O=C(CN1CCCC1=O)NCC1(CO)CCCC1,1.027920136
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1,1.667508987
Cc1cccnc1Nc1cccc(C2CCCN(CC(=O)Nc3nccs3)C2)n1,2.765263869
CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1,2.705213494
CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2Cl)C1,2.747637831
CN(CCn1cnc(C#N)c1C#N)c1ccccc1,3.024705633
Cc1cccc(OC2CN(C(=O)Cn3c(C)nn(-c4ccccc4)c3=O)C2)c1,2.011912839
CC1(C)CC(CC(=O)NCCn2ccnn2)CC(C)(C)N1,1.027920136
C#CCN1CCN(C(=O)CCS(C)(=O)=O)CC1,1.027920136
CN(CC1(CO)CCC1)C(=O)CCN1CCCCC1=O,1.662889988
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCCNc2ccccn2)[C@@H]1O,3.30226186
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,1.027920136
CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O,2.243926822
CC(C)c1nc2c(n1C)CCN(c1ncnc3ccccc13)C2,2.6042509
Cn1ncc2c(NOCc3ccccc3)ncnc21,1.695858019
Cc1cc(C)cc(C(=O)Nc2c(C#N)cnn2C)c1,1.904017301
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1,1.027920136
CC(C)c1nccn1Cc1nc(-c2cccs2)no1,3.285472917
CC(C)C(=O)N1CCn2nc(CNC3CCc4ccccc4CC3)cc2C1,2.311870363
COc1cccc(Cn2cnc3c(c2=O)COCC3)c1Cl,2.139690222
Clc1cnc(NCC2(c3ccncc3)CC2)nc1,2.673481697
O=C(NCCN1C(=O)CSC1=O)c1cc(Cl)c2c(c1)OCO2,1.919015298
CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1,2.946536266
O=C(NC1(c2ccccc2)CCC1)c1cc(C2CC2)on1,2.283452753
COc1ncccc1C(=O)Nc1nc(C)nn1C,1.027920136
CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1,1.49363926
Cc1nccc(N(C)Cc2nc(-c3cccnc3)no2)n1,2.300630261
CN(C)C1CN(c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)C1,3.434142543
N#Cc1cccnc1NCCc1cn2c(n1)CCCC2,3.387243316
NC(=O)c1cnn(Cc2cccc(F)c2)c1,1.027920136
Cn1ncc2c1CCc1sc(NC(=O)c3cccnc3)nc1-2,1.950165189
CC1CCN(C(=O)CCn2ccc3ccncc32)CC1,3.293048379
Cc1cn[nH]c1C1(C)CCN(Cc2cnn(C)c2)CC1,1.898319212
CC(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1,1.905758114
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C(=O)C3)c12,1.317290104
Oc1ccc2nc(/C=C/c3csnn3)ccc2c1Cl,2.380290855
CC(C)CN1C(=O)C(=O)N(Cc2ccccn2)C1=O,1.453944862
CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1,2.355369136
CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21,1.739065768
COc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1,2.229205572
Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1,1.772336379
Cn1c(=O)n(Cc2cccnc2)c(=O)c2ccc(C(F)(F)F)nc21,1.922798094
Cc1cc(C(=O)NC2CCN(c3ncnc4sc(C)c(C)c34)CC2)on1,2.566037781
CCc1cc(CNC(=O)NC2CCN(CC3CCCCC3)CC2)on1,1.905153405
CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,1.407560849
COC(=O)N[C@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1,1.822965298
Fc1ccc(CNc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,3.652460244
COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1,2.989325652
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2ccnc2)nc1,1.66669578
O=C(NCCc1csc(N2CCCC2)n1)N1CCSCC1,2.945556715
C#CCNC(=O)Cc1coc2cc(OC)ccc12,2.263446689
COc1ccc(NC(=O)C(C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,3.286232753
COc1ccccc1C(=O)/C=C/c1ccccc1C(F)(F)F,3.138438493
Cc1nc(-c2ccncc2)cc(N2CCC(CO)CC2)n1,1.567379308
N#Cc1ccc(CN2CC(n3cccn3)C2)cc1,1.316138156
CCCc1cc(O)nc(SCC(=O)N2CCN(C)CC2)n1,1.027920136
Cc1ccc(C(=O)C2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)c(C)c1,2.971105995
CN(C)S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1,2.981805021
Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C)cc(O)c4c3)CC1)O2,2.075857061
CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCCCC1,2.768789005
Cn1cc(C(=O)N2CCC(CC(=O)O)CC2)cn1,1.027920136
CN(CCc1ccncc1)c1ncccc1C#N,2.741716366
O=C(Cc1ccc(Cl)cc1)NCc1ccncc1,1.555360509
COc1cccc(Cc2nc3sc4c(c3c(=O)[nH]2)CCSC4)c1,3.450775794
O=C(CCc1ccco1)Nc1ccccc1OC(F)F,2.919639696
COc1cccc(C)c1C(=O)N[C@H](CO)CCSC,2.869796522
CN(Cc1ccccc1)C1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C1,3.440209084
Cc1noc(C)c1CS(=O)(=O)C1CCCc2ccccc21,3.146576988
N#Cc1cccc(CN2CCOC[C@H](O)C2)c1,1.079325987
COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(F)cc1F,3.301822511
COc1ccc(-c2nc(CC(N)=O)sc2C)cc1.Cl,2.045510741
Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCc3cnn(C)c3C)c2)o1,3.138216778
CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@@H]2O)CC1,1.986426848
CCc1cnc(CCNc2cncc(Cl)n2)s1,2.932178385
COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1,3.345169574
CCc1nc(C)cc(N2CCCC3(CCNCC3)CC2)n1,1.027920136
CN(C)CC(C)(C)CNc1cn[nH]c(=O)c1Br,1.642889703
COc1ccc(-c2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)[nH]c2C(N)=O)cc1,1.59601398
O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1,2.85820082
O=C1CCCN1c1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)cc1,2.036225549
O=C(O)c1csc(Cc2ccc(Cl)cc2)n1,1.027920136
Cc1cc(C)n(-c2ccc(CNC(=O)C3CCC3)cn2)n1,2.756963037
Cc1ncsc1-c1cncc(CC2CCCN(C)C2)n1,2.032151179
CCCn1cc(CN2CCC(c3nc(N(C)C)no3)CC2)cn1,2.163831985
CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2,2.363551219
CCOc1cccc(NS(C)(=O)=O)n1,1.027920136
Cc1nc(CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(NC2CCCC2)n1,3.38371001
Cc1cccc(-c2cccc(C(=O)NCCC3(O)CCCC3)c2)n1,3.46334627
CC(=O)NCCOc1ccc2ccccc2n1,1.94992157
Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1,2.973620083
O=C(NC1CCCCC1)C1=CCN(C(=O)C2CC2)C1,1.473720477
O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1,2.781370867
CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCO2)CC1,3.377908999
CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ncccn4)CC3)ccc2c1N,2.047259287
Cc1cccc(NC(=O)c2cncn2-c2ccccc2)n1,2.217476048
C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,3.308929409
Cc1noc(NCc2c(C)nn(C)c2C)n1,1.027920136
O=C1C(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1c1ccccc1,2.143732823
CN1CCN(C(=O)c2cc(Br)cnc2Cl)c2cnccc21,1.958238877
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,1.764766252
CCCc1cc(CNS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)on1,3.397385147
Nc1nc2ccccc2n1C1CCCC1,1.942628031
Cn1ncc2cc(-c3ccnc4[nH]ccc34)ccc21,2.838213549
CC1CCN(Cc2ccc(NC(=O)c3ccccn3)cc2)CC1,1.208763733
c1ccc(CCn2cnc3c2CCN(c2ncccn2)C3)cc1,3.399640153
Cc1cc(C)n(CCNC(=O)NC2CCOCC2)n1,1.027920136
O=C(NCc1nnc2n1-c1ccccc1CC2)c1ccc2ccccc2c1,2.713096391
CN(C)c1ncn(-c2cccc(N)c2)n1,1.404611383
COCCN1CCOc2nc3c(C)cccc3cc2C1,2.945691092
Cc1ccc(C(=O)C(=O)Nc2c(C)nn(C)c2C)cc1,2.062220862
COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)Nc3ccccc3)C1)CC2,1.813761073
Cn1cc(C#N)cc1-c1nc(C2CC2)nn1CCc1ccccc1,3.271445916
COc1c(N)ncnc1N1CCCC(C)(C)CC1,3.082971969
CCOC(=O)c1c(C)n(C)c2ccc(O)cc12,2.220701567
Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)nc1,1.548119052
Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccc(Cl)cc3)CC2(C)C)n1,3.324075423
COc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccccc1)C(C)C,3.622840034
Cc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C,3.42223599
O=C1OCCN1CCN1CCC(c2cc3ccccc3[nH]2)CC1,2.688189264
N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F,3.224952911
N#CC1(C(=O)NCC2(C3CC3)CC2)CCCCC1,3.034711859
CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1,3.158208351
CCn1ncc(CN(C)C(=O)c2ccc(-c3nc(C)cc(C)n3)cc2)c1C,2.444113528
CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCOC2=O)CC1,1.027920136
Cc1cnn(C2CN(CC3(O)CCCCC3)C2)c1,3.277879333
CN(C)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1,1.839905218
Cc1c(C(=O)Nc2cnccn2)cccc1-c1ccccn1,2.695383599
Fc1cc(-c2noc(C3CCN(C4CC4)CC3)n2)cc(F)c1F,2.771893804
Cc1ccnc(C2CCN(C3CCCC3)CC2)n1,2.92820222
COc1cccc(C(=O)Nc2nccs2)c1,2.781770449
CN(C)c1nccc(N2CCN(CCCCCF)CC2)n1,3.159829375
Cc1cc(NC(=O)C2CCN(c3ccncc3Cl)CC2)no1,2.268631787
Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12,1.719090867
O=C(CCOc1ccccc1)N1CCCC1,1.93230123
CCCn1cc(CNc2ncccn2)cn1,1.752086879
O=C(NCCCn1ccnc1)N1CC2(CCCC2)c2ccccc21,2.873165344
Brc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)o1,1.613704432
COc1ccccc1CC(=O)NC1CCN(C)CC1,1.736850481
CC1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1,2.498096801
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.027920136
O=C(C1CC1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.366900885
O=C(c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc12)N1CCOCC1,3.303574442
CN(C)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1,1.027920136
CCc1ncnc(N(C)Cc2ccc(N)nc2)c1F,1.645648201
CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1,2.742175043
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2,2.118145634
Cc1cccc(NC(=O)CSc2nncs2)c1,2.443677521
Cc1ccncc1-c1ccc(-c2ccn[nH]2)cc1,1.818120277
COCC(C)(C)C(=O)N1CCCC2(CCNCC2)CC1,1.027920136
CS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1,1.787956123
O=C(c1ccccc1N1CCOCC1)N(Cc1ccccn1)C1CCCCC1,3.584255442
CCCn1ncnc1-c1ccccc1SC,2.883842495
CN(Cc1nncn1C)C1CCN(c2ccccc2F)CC1,1.951439522
CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl,2.417979595
O=C(NC1CCCCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1,3.278355239
Cc1ncsc1C(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1,2.761852694
COCC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1,2.184282491
Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)n1,3.045559233
Cn1cnnc1NC(=O)c1cnn2c1CCCC2,1.027920136
CC(C)Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCC1,1.449786847
Cc1noc(C)c1CCC(=O)Nc1cccnc1,1.50711343
CC1(CNC(=O)N2CCN(Cc3ccon3)CC2)CCCC1,2.488994654
CN1CCNc2nc3ccccc3nc21,2.156709635
CN1[C@@H]2CC[C@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,3.037733185
CN(CCC1CCCCC1)C(=O)c1ccon1,2.987719878
Cc1c(Cl)ccc2cc3n(c12)[C@@H](C)CNC3=O,1.847547983
Cc1ccc(C#N)c(NC(=O)CCc2ccccc2)n1,2.379923426
CCCN(CC)c1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1,2.488679012
CC(C)c1noc(-c2ccc(N)cc2)n1,2.198013415
O=c1[nH]c2ccccc2n1C1CCN(Cc2nnsc2Cl)CC1,2.92712748
COc1cc(OC)c2c(=O)cc(CCC(=O)O)oc2c1,1.027920136
COc1cccc(-c2nc(C(=O)O)cs2)c1OC,1.027920136
Cc1cc(C(=O)N(C)Cc2ccsc2)no1,2.382701283
COCC(=O)Nc1nc(C)c(C)s1,1.852949412
CCc1nc(N2CC(CO)C2)c2ccsc2n1,1.698917886
Cc1ncsc1C(=O)N1C[C@@H]2CCCN(C(=O)c3scnc3C)[C@@H]2C1,1.040444098
CC(=O)N1CCN(CCNC(=O)N2CCc3sccc3C2)CC1,1.870163865
CCNc1nc(-c2cccnc2)nc(C)c1C,1.843768306
O=C(NCC#CCN1CCc2ccccc2C1)NCc1ccc(F)cc1,2.736404471
CN(C)C(=O)OCCN1CCC(c2c[nH]c3ncccc23)CC1,2.006089348
NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1,3.134704191
Cc1cc2cc(C(=O)N(C)CCC(=O)O)oc2cc1C,1.027920136
O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1,3.294946991
CCN(CC)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.371104822
COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1,1.399414105
CCCNC(=O)CSc1nc2cc(C)ccc2[nH]1,3.073910717
COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)c1,2.761214951
C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2cccc3ncccc23)oc1=O,3.033483668
Cc1ccc(C(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1F,1.347583686
O=C(Nc1cccc2cnccc12)c1cccc(F)c1,2.119028122
Cc1cc2occ(CC(=O)NC3CCN(C)CC3)c2cc1C(C)C,2.609339306
O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(Cc3ccccc3)cccc12,2.549043745
Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1,3.002522426
Cc1nc(C)c2c(C)c(C(=O)N(C)CCN3CCCC3)sc2n1,1.891040997
O=C(NCC1CC1)c1ccc(-n2ccnc2)nc1,1.365600288
CCNC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@H](CO)O[C@@H]2S1,1.027920136
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1,3.377925553
Cc1cc(N(C)C)nc(-n2ccnc2)n1,1.919475578
O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(CC1CC1)C2,2.575853791
COc1ccnc(N2CC(O)(C3CC3)C2)n1,1.412191655
CCC(=O)NCc1ccnc(N(C)C)c1,1.027920136
CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12,2.901441974
COc1ncnc2c1CN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2,2.322562459
COc1ccc(CCCN2CCN(c3cnn(C)c3)C(=O)C2)cc1F,1.644537058
Cc1nonc1C(=O)Nc1cccnc1N(C)C,2.238031041
CCCn1cc(NC(=O)Nc2ccc(N3CCSCC3)cc2)cn1,2.907583862
Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)c1,3.360073047
CCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1,3.134906696
CN(CC1(O)CCCC1)c1ncccn1,2.120001074
CCOC(=O)c1cccnc1SCc1cccnc1,3.099884622
CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C,2.189796205
CC(C)(C)n1cc(CNc2cccnc2)cn1,1.61992771
COc1ccc(=O)n(Cc2noc3c2CCCC3)n1,2.431087014
O=C(NCc1cccs1)c1cccnc1,1.027920136
Cc1cc(Cl)c(OCCCN2CCNCC2)c(Br)c1,2.66329376
O=C(c1n[nH]c2c1COCC2)N1CCC2(C=Cc3ccccc32)CC1,2.939548704
CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,2.392375069
CCOc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1,1.729375404
Cc1cc(Nc2nnc(C)s2)cc(C2CN(C(=O)c3c(C(C)C)noc3C)CCO2)n1,2.178170885
CC(=O)N1CCC(CNc2nccc3cccnc23)CC1,1.907266213
NCc1ccc(-n2cnc3ccccc32)cc1Cl,1.557001634
c1cnc(-n2cccn2)c(CNC2CCCC2)c1,1.605434345
CCN1CCC(CNC(=O)c2cc(C)nc3cc(F)ccc23)CC1,1.027920136
Cc1ccccc1C(=O)N1CCC(O)(Cn2ccnc2C)CC1,2.001279283
Cc1nnc2ncc(-c3cccc(-c4ccnn4C)c3)cn12,1.49159979
CS(=O)(=O)CCc1nc(C2(c3ccccc3)CC2)nn1-c1ccccc1,2.118403625
Cc1cccc(NC(=O)c2cccc3ncccc23)c1,2.189032477
COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)cc1,1.880859305
CC(=O)N[C@H]1CCN(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)C1,2.916352865
O=c1[nH]c2cnccc2n1Cc1ccccc1,1.680553059
O=C(O)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1,1.249736305
O=C(CC1CCN(c2ncc(Cl)cn2)CC1)N1CCOCC1,1.671108018
CCN1CCC(Nc2ncnc3c2cnn3C)CC1,1.340265601
COc1ccc(CCn2c(C3CC3)n[nH]c2=O)cc1,2.563022817
CC1(C(=O)O)CCN(Cc2ccccc2)CC1,1.027920136
CC(=O)N1CCC(c2ccc(C(=O)O)cn2)CC1,1.027920136
COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1,3.09247396
Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1,1.027920136
CC(=O)Nc1cccc(CN2CCCN(C(C)=O)c3ccccc32)c1,2.96343978
N#Cc1ccc(OC2CCNCC2)cc1,1.027920136
CN1C(=O)[C@H]2CN(CC3=CC[C@H]4C[C@@H]3C4(C)C)C[C@H]2C1=O,3.379188723
COc1cccc([C@@H](C)n2cnc3cn(C)nc3c2=O)c1,1.827265857
CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1,2.654183283
N#Cc1cccc(CN2CCN(CCO)CC2)c1,2.100518731
CCn1nc(CNC(=O)c2nc(C)c[nH]2)c2ccccc21,2.372549326
CC(C)(C)CC(=O)N1CCC(OCCCN)CC1,1.027920136
O=C(CC(=O)N1CCCC1)N1CCCC1,1.027920136
COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1OC,3.03685317
O=C(Nc1nncs1)c1cccnc1,1.027920136
C#CCOc1ccc(OC)cc1C(N)=O,1.8650862
COc1ccc(CN2CC(c3ccncc3)C2)cc1Cn1cccn1,2.599287965
O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,1.241745653
CN(C)c1nc(N)nc(Sc2ccccc2)n1,2.807417983
Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccncc4)CC3)c2c1C,2.448822219
Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)CC1,1.156458285
Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2ccncc2C)n1,2.865972879
COc1ccc(NC(=O)CN2CCCC2)cc1,3.268166648
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCCNS(C)(=O)=O)[C@@H]1O,2.12715017
N=C(N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1,1.027920136
O=C(NCc1cnn2cccnc12)c1ccccc1-n1cnnc1,1.027920136
CC1(C)CCCN1C(=O)c1c(F)cc(C#N)cc1F,1.842971001
Clc1ccc(NCc2ccoc2)nn1,1.027920136
OCCN1CCC(c2ccncn2)CC1,1.546258799
COc1ccccc1C(=O)NCc1nc(C)cc(N2CCCCC2)n1,3.02141714
Cc1nc(C(C)C)sc1C(=O)Nc1nc(C(C)(C)C)cs1,2.600216849
Cc1cc(OCc2ccnc(Cl)c2)nnc1C,1.712464498
CCOc1ccc(-c2csc(N)n2)cc1,2.528736778
COc1ccc(-c2ccc(CN(CCN(C)C)Cc3ccncc3)cc2)cc1,2.667448283
CCOc1cc(N2CCc3nc[nH]c3C2)ncn1,1.890856771
c1ccc(-c2nccc(NCc3nnc4n3CCCCC4)n2)cc1,2.6510773
O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](O)C1,2.703739201
CC(C)Nc1ccc(-c2cc3c(cc2CO)OCCO3)cn1,3.757414175
O=C1CN(C(=O)c2ccc(F)cc2)CCN1,1.027920136
CN(C)Cc1ccc(-c2ccccc2C(=O)O)cc1,1.027920136
CCC(C)(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1,3.006561448
Cc1cc(CN2CCN(c3ncccn3)CC2)on1,1.961392615
COc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1,2.389036663
CCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,3.159066443
CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cn(C)nn1,2.462612097
CC(C)(C)c1cc(NS(=O)(=O)c2cccc(F)c2)cc(C(C)(C)C)c1,2.485189486
CNC(=O)c1ccc(N2CCCC2)nc1,1.764295715
O=C(c1cc(F)ccc1F)N1CCN(C(=O)C2CC2)CC1,1.295984701
CC(C)CCn1ccc(NC2CCN(C(C)C)CC2)n1,2.181168765
Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1,2.570413333
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1,2.040163077
Cc1ccc(=O)n(CCOc2cc(F)cc(Br)c2)n1,2.954910808
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1,1.230448921
O=C(c1ccc(-c2ccncc2)cc1)N1CCC(O)(CN2CCCC2)CC1,1.880870733
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1,3.167441401
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,2.04821644
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,1.862783943
COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1,3.293288066
c1ccc(-c2noc(NC3CC3)n2)cc1,2.250100263
Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1,2.50573588
CC1CCC(CNC2(CCO)CCOCC2)CC1,3.078732968
c1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1,1.755951041
CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2,2.43117392
COc1ccc(CN2CCC(c3cc[nH]n3)CC2)cn1,2.011096563
Cc1nc2ccccc2n1CCNc1ncccn1,2.476375075
Cc1cccc(C(=O)N(C)CCc2cnccn2)c1,2.150455552
CN(C)c1ncc(CN2CCC(Cc3ccc(F)cc3)CC2)s1,3.409779319
CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1,1.559511632
COc1nc2c(cc1CNC(=O)N1CC[C@@H](O)C1)C(=O)N(C1CCCC1)C2,1.027920136
Cc1nsc(NCc2cncs2)n1,1.226135722
Cc1nnc(NCCc2ccc3c(c2)OCO3)c(C#N)c1C,2.970806966
CN(Cc1ccc(N)nc1)c1ncccn1,1.357401175
O=C(CN1CCSC1=O)Nc1ccccc1F,1.027920136
CCc1cc(-c2ccc(OC)c3ncccc23)nc(N2CCOCC2)n1,1.979156696
COCC1(C(=O)N(C)Cc2ccc3ccccc3n2)CCC1,3.620792936
c1ccc(N2CCOCC2)c(CNc2cc(N3CCCC3)ncn2)c1,3.181840445
O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1coc(-c2cn[nH]c2)n1,2.714584561
C1CN(c2nc3c(c(N4CCSCC4)n2)SCC3)CCS1,3.183513834
CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1,1.814447379
COc1ccc(OC)c(S(=O)(=O)NCCC(=O)Nc2ccccc2C)c1,2.789264041
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1,2.591536507
O=C1CCC(=O)N1Cc1nc(Cc2ccccc2)cs1,2.16201447
Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)nc1,3.12093635
N#CCN1CCCN(Cc2ccc(C#N)cc2)CC1,2.426488489
Cc1cccc(O[C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)c1,2.846643238
Cc1cc(C)cc(OCCN(C)C(=O)NCCN2CCCCC2=O)c1,3.114870416
COc1cncc(-c2ccnc3[nH]ccc23)c1,2.021267879
OC1(Cn2nnc(-c3cccnc3)n2)CCCCC1,2.151700732
Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,2.224209228
O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,1.598024072
COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1,3.202609543
Cc1noc(C)c1C(=O)N1CCCN(c2ccc(F)cc2)CC1,2.753002846
Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1,1.974971994
O=c1c2cccnc2ncn1[C@H]1CCN(Cc2ccccc2)C1,2.208779845
Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Br,1.989467616
COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,2.746921299
CN(C)c1ccnc(NC(=O)c2cnsn2)c1,2.446835293
CCCCOc1ccc(C(=O)NCc2cc(C)on2)cc1,2.624314074
Cc1ccc(CNC/C=C/c2ccccc2)cn1,2.61324333
CC1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.013243501
COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)c(OC)c1,2.91044777
COc1nn(C)cc1C(=O)Nc1cccc2cnccc12,2.255957185
O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2,2.217328623
Cc1cnccc1-c1cnc(N(C)C)nc1-c1ccco1,3.352055299
NC(=O)CN1CCC(Oc2cccc(F)c2)CC1,1.854700676
O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)C2CC2)c1,1.880241776
Cc1cc(C(=O)NC(C)(C)C#N)nn1-c1ccc(F)cc1,1.294201601
CNC(=O)CCc1nc(-c2ccccn2)no1,1.027920136
O=C(C1CC1c1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.076226338
CCC(CC)NC(=O)c1ccc(C#N)c(C)n1,1.699013432
Cc1cc(C)cc(OCCN(C)C(=O)NCCS(=O)(=O)N(C)C)c1,3.039175688
CCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1,1.305566314
Cc1nccc(-c2cccc(NCC(=O)N(C)c3ccccc3)c2)n1,2.602668663
Cc1cc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cnc1C,2.049679216
c1ccc(C(c2ccccc2)c2noc(Cn3cnc(C4CC4)n3)n2)cc1,3.178832542
COc1cccc(C(=O)N(C)CC(F)(F)F)c1OCCCN,1.914142097
O=C1CCC(=O)N1Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1,3.144807014
COc1ccccc1-c1cc(NC(=O)c2cccc(N3CCNC3=O)c2)[nH]n1,2.012702277
CCCC(=O)Nc1ccc(-n2cccn2)nc1,1.502577322
O=C(NN1CCOCC1)c1ccc(Cl)c(Cl)c1,1.027920136
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1,2.701906309
Cc1ccsc1C(=O)NCc1ccc2c(c1)OCCCO2,2.978817107
COCC1(CNC(=O)c2ccc(-n3cccn3)cc2)CCC1,2.691908606
NC(=O)C1(CCCc2ccccn2)CCNCC1,1.925827575
O=C(Nc1ccc(Cl)nc1)NC1CCN(C2CCCC2)CC1,1.027920136
COCCN(C)C(=O)c1ccc(-c2cccc(-c3noc(C)n3)c2)cc1,1.87602144
CC(C)NC(=O)CN(C)c1ccc(Cl)c(C#N)n1,1.940247458
CN(C)c1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1,2.589451384
COCCCNc1ncc(-c2cc(C)no2)c(C(C)C)n1,3.77518235
Cc1ccc(CNC(=O)c2cccs2)cn1,1.027920136
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,1.417438476
Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,2.238813599
Cc1ccnc2[nH]c(CSCc3ccccc3)nc12,2.810902938
CN1N=C(SCc2ccc(Cl)cc2Cl)Sc2c1cnn(C)c2=O,3.276576911
Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,1.027920136
O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@H](Oc2ccccc2F)[C@@H](O)CC1,2.777962291
CCN(C)S(=O)(=O)N(C)Cc1cnc2ccccc2c1,3.364869049
COc1cccc(C)c1C(=O)N(C)CCCn1cccn1,2.699194911
CCCc1nn(CCCN2CCCCC2)c(=O)o1,3.203114514
O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,2.008417048
COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1,1.655196081
Cc1ccc(C(=O)N(C)Cc2ccccn2)c(O)c1,2.680768685
COc1cc(C#N)ccc1Cn1ccnc1C(C)C,2.219733806
N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)c1,3.168006931
Cn1cc(CCNc2cncc(Br)c2)cn1,2.0416374
O=C1CC(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccccc1,3.1082077
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,2.084995734
COCc1nn(CCCN2CCCCC2)c(=O)o1,2.568772974
NC(=O)Cn1cc(-c2ccc(F)cc2)cn1,1.027920136
O=c1c(CO)cc2cc3c(cc2n1Cc1ccccn1)CCC3,3.069236918
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1,1.818423855
O=c1oc2cccnc2n1Cc1ncc(-c2ccc(F)cc2)o1,1.027920136
c1cc(-c2nnc(NCc3cncs3)o2)ccn1,1.96109347
C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21,1.535711754
Cc1noc(C2CCN(CCc3ccccc3)CC2)n1,2.651511578
Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1,1.494405076
Brc1nnc(N2CCC(OC3CCCC3)CC2)s1,3.492200892
O=C(Nc1cccc(Cl)c1F)c1cccc(N2CCCC2=O)c1,2.951315658
O=C(Nc1cc[nH]n1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1,1.728118306
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,2.72806226
COc1cccc(Oc2ccc(NC(=O)CN3CCCCC3=O)cn2)c1,1.8853386
CC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,2.418869481
COc1ccnc(N2CC(n3nc(C)cc3C)C2)n1,1.645540161
CCn1c(CN2CCCCCC2)nc2ccccc2c1=O,3.350809136
CN(Cc1cnn(C)c1)c1ncnc2c1oc1ccccc12,2.703378228
CCc1cc2c(OCC(=O)N3CCCC3)ncnc2s1,2.775980878
O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.449672284
Cc1oc(C)c(C(=O)Nc2ccn(C)n2)c1C,1.971651518
Fc1ccc(-c2cc(C3CCNCC3)ccn2)cc1,1.027920136
Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1,2.696723243
CC(C)N1CCN(CCCSc2ccccn2)CC1,3.034584343
Cn1c(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)cc(=O)n(C)c1=O,1.501552187
Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1,2.897800774
CCOc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cn1,2.025297671
O=c1cc(-c2cc(F)c(Cl)nc2Cl)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12,1.286950216
CC(C(=O)Nc1ccccc1)N1CCCC(c2nc3ccccc3o2)C1,3.477423636
Cn1cc(NC(=O)c2cnn3cccnc23)c(C2CCCCC2)n1,2.274889527
Cc1noc(CC2CCN(Cc3cccnc3)CC2)n1,1.689104542
Cn1ncc2c(Oc3cccc(Oc4ccccn4)c3)ncnc21,2.56717346
COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(C)=O,1.988170861
c1nc(Nc2ccc3c(c2)OCCCO3)c2sccc2n1,3.196558892
Cc1cccc(N(C)C(=O)COC2CCCC2)n1,2.300606352
O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccncc1,2.116690743
CCN(CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1,2.493877504
Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1,2.696490064
COc1cc2cc(N)c(C3CCNCC3)nc2cc1OC,1.027920136
Cc1nc(O)cc(C2CN(C3CCCCC3)C2)n1,1.027920136
Cc1cccc(NCCN2C(=O)CCC2=O)n1,1.697891616
CCNC(=O)C1CN(c2cccc(C#N)n2)C1,1.027920136
CCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1,2.738503885
COCc1ccccc1COC(=O)c1ccc(C)nc1,3.346358648
COc1cccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1,2.799777382
COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,2.519096556
COc1cc2nc(/C=C/c3cocn3)sc2cc1OC,1.871993017
O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1,3.340824501
CN(Cc1ccncc1)Cc1cc2ccccc2nc1O,2.345599152
CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,2.947691967
Cc1ccc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)cc1,2.821762374
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,3.76762999
c1ccc2nc(NCCn3ccnc3)cnc2c1,2.64485791
N#CC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1,2.701927877
Cc1ncc(-c2ccccn2)c(CCNC(=O)C2CCCC2)n1,1.957583345
O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccncc3)ccc21,2.272414868
COc1ncccc1NC(=O)c1cccc(C)n1,2.26479658
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1,2.544740609
NC1(c2nc(-c3ccsc3)no2)CCCCC1,2.650205496
Cc1ccc(CCNc2ccc(C#N)nc2)cn1,1.653983907
COc1ccc2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2c1,2.815961405
CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O,1.887257114
COc1cc(CNc2nc3ccccc3nc2C)ccn1,2.093680784
OCC1CCCCN1Cc1ccc(Cl)c(Cl)c1,2.476100913
CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1,1.364475949
CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,2.884571081
COCCc1noc(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n1,3.302756139
CCCN(C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,1.647901076
O=C(OCC1CCSCC1)c1cccc(-n2cccn2)n1,3.342119161
O=C(c1ccc(O)cc1)N1CCN(c2ncnc3c2CCC3)CC1,2.251536021
COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2C1,3.365992559
CCC(=O)N(C)CC(=O)Nc1cccc(F)c1,1.084719232
COCc1ccc(-c2nc3c([nH]2)c(C)nn3C2CCCCC2)o1,2.685304538
CN(Cc1cnc2ccccc2n1)S(=O)(=O)N1CCCCCC1,3.760281616
Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)no1,1.652922888
C#CCN1CCC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1,1.921166051
CC(=O)NC1(C(=O)N2CCCN(c3cccnn3)CC2)CCCCC1,1.320997417
Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C)n1,1.213358354
Cc1nc(-c2ccccc2)c(C(=O)Nc2cc(Cl)cc(Cl)c2)s1,2.361487964
CCc1cc(CNC(=O)Nc2ccc(N3CCSCC3)cc2)on1,3.155026758
CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1,2.89352708
Cc1csc(Cc2nc(-c3ccc(O)cc3)no2)n1,2.458749618
Cc1ccc(CCC(=O)Nc2nccc3sccc23)o1,3.057528416
Oc1cc(F)ccc1-c1nc(-c2ccncc2)no1,2.524105197
Cn1c(CNC(=O)Cc2cccc3ccccc23)nc2ccccc21,3.20146677
CN(C)c1ccnc(NCc2ccc(F)cc2)n1,3.251684932
Cn1nccc1C(=O)C1CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1,1.990796
CCCC(=O)Nc1ccc(C(=O)N(C)C)cc1,1.704605172
Cc1csc(NC(=O)CCc2ccncc2)n1,1.656059852
CC1CC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.208543468
C[C@@H](c1ccccc1)N(C)C(=O)NCCN(C)CCO,3.058071307
C=CCn1cnc2c(Cl)cc(-c3ccc(C(=O)NC4CC4)o3)cc21,2.059729985
COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1,3.247109216
COc1ccnc(N2CCCN(Cc3ccccc3C)CC2)n1,3.370785387
CN(C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ncc(-c2ccccc2)n1C,2.445604203
O=C(CN1CCCN(c2nccs2)CC1)Nc1cccc(Cl)c1,3.290218758
CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)C1CCOCC1,2.72053057
O=C1CCCN1CCCc1nc(Cc2c(Cl)cccc2Cl)n[nH]1,2.581408016
Cc1ccccc1S(=O)(=O)Nc1c(C)ccnc1Cl,2.288787846
CN(NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1,3.279867166
CCCCNc1nc2c(cc1C#N)CCC2,3.364486456
COc1ccc2nc(C)nc(N3CC(CO)C3)c2c1,1.132771829
OC[C@@H](c1ccccc1)n1cc(CCc2ccccc2)nn1,2.84132818
O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1,2.71009112
Cc1nc(Cn2ncc3ccccc3c2=O)cs1,2.010897548
CCc1ccc(-c2nccn2CC(=O)Nc2ccc(C)cc2F)nc1,2.795620753
CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1,1.300552009
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,1.831594655
CCCN(CCC1=CCCCC1)C(=O)c1cc(C(F)F)n[nH]1,3.298136445
c1ccn2cc(CSc3ccc(-n4cccn4)nn3)nc2c1,2.799210931
Cc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@@H](C)C2)s1,2.804398773
COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1,2.131021661
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)n1,3.325415529
Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c2c1CCC2,3.496669962
CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12,2.517313366
Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC(Cc2ncncc2C(N)=O)CC1,3.067908864
CCOC(=O)c1cc2ccccc2n1CC(=O)c1ccc(F)cc1,3.277170803
COCC(=O)Nc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1,1.884115362
CNC(=O)Cc1cccc(OCCN2CCCCC2)c1,1.757995427
CCN(Cc1cnn(C(C)C)c1)C(=O)NCCC(C)(C)OC,2.211504986
O=C(c1ccncc1)N1CCC(c2cnccn2)CC1,1.027920136
CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn(C)n1,2.615611317
CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1,2.861773297
Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2F)nc1,2.014104526
Clc1cccc(-c2nnc(Cn3cnc4ccccc43)o2)c1,2.086188927
Cc1cc(C(=O)NCC2CC2)n2nccc2n1,1.874510808
COc1cccc(-c2cccc(N)n2)c1F,2.411279544
CN(CCc1ccccc1)C(=O)CC#N,1.027920136
CCCCN(C)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1,2.724528179
CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1,2.292880475
CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,1.409628842
CN1CCCN(c2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CC1,2.319788729
Cc1cccnc1NC(=O)c1csc(-c2ccccc2)n1,2.664205582
Cc1nc(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n[nH]1,1.147707234
O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,1.027920136
O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2O)CC1,2.10436418
Cc1ccc(C)c2c(O)cc(CN3CC(c4ccccn4)C3)nc12,3.021670479
CN1CCN(c2cccc(C#N)n2)CC1,2.790511755
Cn1ccnc1CCNC(=O)c1cccc2cccnc12,2.175720503
O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCC2)C1,1.924418858
O=C(NCCc1ccccc1)c1cnccn1,1.463071381
Cc1cc(C(=O)N2CCOC(C)(C)C2)cc(C)c1OCc1cccnc1,3.337597415
O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(-c3ccccc3)cccc12,2.564489707
Cc1cc2c(=O)n3c(nc2s1)CCNCC3,1.829020585
Cc1ccc(CNC(=O)c2cccnc2)n1C,1.027920136
CC(C)c1cc(N2CCc3[nH]nc(C4CC4)c3C2)n2nccc2n1,2.580433409
Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccccc2)CC1,2.324414164
Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,1.960475918
N#Cc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1,1.828569678
O=C(NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccon1,1.027920136
COCCc1n[nH]c(-c2ccc(N3CCN(C)CC3)cc2)n1,1.698848385
Cc1nc2ncccn2c1C(=O)N(CC#Cc1ccccc1)C1CCCC1,3.667165383
CCn1ncnc1-c1[nH]cnc1-c1ccccc1,1.681621079
CC(C)N(C(=O)Cn1cccc2cc(-c3ccco3)nc1-2)C(C)C,3.251663037
O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccn1,2.652403974
CCn1cnnc1CN(C)C1CCN(c2ccccc2F)CC1,2.531992103
Cc1nn(C(F)F)c(C)c1CC(=O)NCCNC(C)(C)C,2.403123954
N#Cc1cc(Oc2ccc3c(c2)CCC3)ncn1,2.4522757
[2H]c1nc(C)nc([2H])c1-c1cc(NC[C@@H](C)c2cccc3c(C(=O)NC)ccnc23)ncn1,1.947002154
COCCc1nsc(Oc2ccc(C)cc2Br)n1,3.662283814
CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(F)c2)C1,2.949896713
Cc1ccc(Cn2nc(C)c(C(N)=O)c2Cl)cc1,2.554136493
NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1.23299611
Cc1nc(NCC(C)(C)c2ccccc2)n(C)n1,2.370975449
Clc1ccc2[nH]c(COc3ccccc3)nc2c1,2.528736778
CCC(C)(C)N1CCN(C(=O)NCCc2cc(C)no2)CC1,2.437779092
Cc1cnn(Cc2nc(Cn3cccn3)no2)c1,1.027920136
CCn1nccc1-c1cc(C)nc(N2CCCC2)n1,2.599547947
O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,1.155093008
Cc1nnc(-c2ccccc2-c2ccc(O)cc2)s1,2.599016893
COC(C)(C)C(=O)Nc1ccnc(C(C)(C)C)n1,2.023737939
Cc1cccc2sc(NC(=O)C(C)(C)C)nc12,2.31700345
CCc1cnc(CN2C(=O)NC3(CCC3)C2=O)o1,1.715351413
O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1cnc2c(c1)CCC2,2.456939652
COc1ccc(Cc2ncnn2-c2ccc3c(c2)OCO3)c(OC)c1,3.482677107
CN(CC1(CO)CCCC1)C(=O)CCN1CCCCC1=O,2.051198845
O=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCC1,3.3586478
C[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,1.027920136
O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1,3.289148638
COc1ccc(NC(=O)c2snnc2C)c(OC)c1,2.259519818
O=C(CCCc1cc(Cl)sc1Cl)N1CCC(O)CC1,2.869850442
COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1C,2.771466214
O=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1,2.888995627
Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N2CCN(C)CC2)n1,3.664309735
CN(c1ncnc2c1cnn2CCO)C1CCCCC1,1.889178401
CCS(=O)(=O)N(C)c1ccc(N(C)C)cc1,3.474097618
Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1,2.468424138
CN1CCN(CCOc2ccccc2N)CC1,2.115344196
N#Cc1ccccc1Cn1nnc(-c2ccccc2)n1,2.324819331
Cn1ccc2c(NC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)cccc21,2.890300272
COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C,3.471998625
CCc1oc2c(-n3cnnc3)cccc2c1C,2.229033884
CCCc1noc2nc(-c3ccncc3)cc(C(=O)O)c12,1.258254054
Fc1cccc(N2CCCC2)c1CN1CCN(Cc2ccon2)CC1,3.538634048
CN(C)c1cc(CNC(=O)C2CCOCC2)ccn1,1.027920136
CCOc1ccc2[nH]c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c(C)c2c1,2.974696793
COc1cccc(Cc2cnc(N)s2)c1,2.449390451
COc1ccc(CCC(=O)N2CCCNCC2)cc1,1.027920136
CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1,3.192741081
CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1,2.180696337
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,2.014996993
COCC(=O)Nc1ccc(C)c(NC(=O)[C@H](OC)c2ccccc2)c1,1.652720034
COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,2.508843375
CCc1ccc(CC)c(C(=O)CSc2nncs2)c1,3.189669385
CCSCCC(=O)NCCn1nc(C)c(CC)c1C,3.187317062
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,1.368621544
Brc1cc2c(cc1Cn1cncn1)OCCCO2,2.357932942
O=c1c2sccc2nc2n1CCN(Cc1cc(F)ccc1F)CC2,3.339392405
Cc1nccc(-c2cccc(NCC(=O)NCc3ccccc3)c2)n1,2.814836026
N#Cc1ccccc1CN1C(=O)CCC1=O,1.310480891
Cc1c(F)cccc1NC(=O)CN1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12,3.037958084
CCCc1cc(C)nc(O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C,2.370840491
OCc1nnc(SCCSC2CCCCC2)n1C1CC1,2.862259024
Cc1noc2ncnc(N3CCCN(C(=O)C4CC4)CC3)c12,2.171749849
CN(c1nc2ccccc2o1)C1CCN(C2CCOCC2)CC1,2.067584114
O=c1oc2cccnc2n1Cc1ccccn1,1.027920136
Cc1ccccc1NC(=O)Cn1nnc(C2CC2)n1,1.710726474
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1,2.339971885
Cc1ccc2cc(C(=O)N(C)CCC#N)[nH]c2c1,2.087809802
Cc1nc(NCc2ccc(F)cc2)n(C)n1,1.027920136
Cc1ccc(CN(C)c2ncnc3c2cnn3C)o1,2.348384704
Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1,2.094792451
CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1,2.539204109
Cc1nnc(N2CC[C@H](O)C2)c(C#N)c1C,1.027920136
O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)O,2.309415096
Nc1cncc(-c2ccc(CN3CCCCC3)cc2)c1,1.750816843
COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2cccs2)c1C,2.68463624
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12,1.027920136
Cc1cc(N2CCN(CC3CCN(C(=O)CC(C)C)CC3)CC2)n[nH]1,1.027920136
CC1CCC(O)(CSc2nnnn2C2CC2)CC1,2.549866086
CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1,2.320391417
COc1cccc(CN(C)c2ncnc3c2CN(C)CC3)c1,2.261343771
Cc1ccc(-c2ccc(=O)n(Cc3ccncc3)n2)cc1,3.380312565
Fc1cccc(CCNCc2cc(-c3ccccc3)cn3nnnc23)c1,3.236257298
Cc1ccc(NC(=O)CN2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1F,3.521284437
CC(C)(C(=O)NCc1ccccn1)c1ccccc1,2.139107371
CN(Cc1cnc2ccccc2n1)S(=O)(=O)N1CCCC1,3.203587918
COc1ccc(N2CCCN(CC3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.706922509
O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccncc1,1.751710104
CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C,2.873374086
Cc1noc(CCNc2ncnc3ccccc23)n1,1.974810944
Cc1noc(NCc2ccc(F)cc2C)n1,1.834395268
Cc1c(C(=O)NCc2cnc(N(C)C)n2C)sc2ccccc12,2.502078725
NC(=O)Cn1ccc(-c2ccccc2)n1,1.027920136
CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,2.180916867
COc1cc(C(=O)O)c(N)c(OC)c1OC,1.027920136
Cc1cc(C)c2ccc(C(=O)N3CCN(c4ncc[nH]c4=O)CC3)cc2n1,1.727378569
Cn1nc(-c2cn(Cc3ccc(CO)cc3)nn2)c2c(Cl)cccc21,2.278977548
Cc1nnsc1CN(C)c1ccc2cc[nH]c2n1,2.533792388
CN(C)C1(CNC(=O)Cn2ccc(=O)cc2)CCCCC1,1.207957343
Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnc(C)o2)cc1,3.320933329
Cc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)c(O)cn1,1.027920136
CON(C)C(=O)Cc1c(C)[nH]c2ccccc12,1.847554152
CCNc1cc2c(nn1)CCN(C(=O)Cn1ccc3ccccc31)C2,1.969178197
O=c1c2ccccc2nnn1CCOc1ccc(F)cc1,2.09252415
COc1ccccc1C(=O)CSc1nncn1C1CC1,2.6651277
CCNC(=O)c1ccc(-c2cc(C)cc(OC)c2OC)nc1,1.969075613
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,1.856221212
O=C(Cc1ccc2c(c1)OCCO2)NC1CCCCCC1,2.967200121
CCN(C(=O)c1cccc(-n2cccn2)c1)c1ccc(C#N)c(Cl)c1,3.313590955
Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1,2.016092742
O=C(NCCc1cccc2cccnc12)C1CCCCC1,2.957114776
CCc1cc(N(C)Cc2ccc(N)nc2)nc(C)n1,1.027920136
Cn1ccc(CN2C(=O)c3ccccc3C2=O)cc1=O,1.082390378
Cc1ccc(NS(C)(=O)=O)c(C(=O)N(C)c2ccc3ccccc3c2)c1,3.042626302
O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1,2.906852008
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,2.122412495
Cc1nc(-c2ccc(C)c(O)c2)n(C(C)(C)C)n1,2.091737283
Cc1ccc(S(=O)(=O)N2CCOc3ccncc32)cc1,3.320042791
N#CCCCN1CCC(c2c[nH]c3ccccc23)CC1,3.238583242
NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O,2.832521686
CCN(CC)Cc1cnc(NC(=O)c2ccccc2)s1,2.284299862
CCCn1cnnc1Cn1ccnc1-c1ccc2occc2c1,1.218929185
O=C1CCC(=O)N1CCN1CCCCc2ccccc21,3.167644557
OCCCCCn1cc(-c2ccccc2-c2ccco2)nn1,2.370720288
O=S(=O)(c1cccnc1)N1CCC2(Cc3ccccc3C2)C1,3.705029888
CCc1nc(NC(=O)c2ccccc2F)sc1C,2.164834477
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,1.978150832
CCN(CC)C(=O)c1ccc(NC(C)=O)cc1,1.409070438
Cc1ccc(OCN2CCCCC2=O)nc1,1.027920136
Cc1cccc(NCCc2cn3c(n2)CCCC3)n1,2.987222361
Cc1ccc(C)c(NC(=O)c2cccc(-c3ncon3)c2)c1,2.215211783
Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C,3.423961951
CCN1CCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)c2ccccc21,2.393736608
Cc1ccc(F)cc1C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1,1.789756932
O=C1N=C2C=CC=CN2C12Cc1ccccc1C2,1.027920136
Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1,1.688019161
OCC1CN(c2nc3cc(F)ccc3o2)C1,1.236159231
O=C(NCc1ccc(-n2cncn2)nc1)c1csc2c1CCCC2,2.293210028
Cn1ccnc1-c1noc(NCc2ccccc2)n1,2.285167845
Cc1ccccc1CSc1ccc(-c2ccccn2)nn1,2.729890168
NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1,1.947340579
Cc1cc(C(=O)Nc2ncccc2C)c2ccccc2n1,1.765996201
Cc1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,2.859452942
CN(Cc1nnc(C2CC2)n1C)C(=O)C1C2CC3CC(C2)CC1C3,2.97812891
Cc1cc(C)n2ncc(C(=O)Nc3cccc(C(=O)O)c3)c2n1,1.027920136
O=C(c1cccnc1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,3.102705655
CCc1nnc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1,1.51913204
Cn1ccc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1,2.022605682
Nc1ncccc1OCc1cccc(Cl)c1,2.857942493
NC(=O)CN1CCC(CCc2ccccc2)CC1,2.663650051
CCc1nnc(N2CC(N(C)C)C2)c(C#N)c1CC,2.113451988
N#Cc1ccccc1-c1ccc(-c2nccn2-c2cccnc2)o1,2.856567586
CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12,3.310521897
Cc1sc2ncnc(OCC(=O)NC3CCCCC3)c2c1C,2.576675294
c1cnc(NCc2cnc3ccsc3c2)nc1,1.72381675
Cc1cccc(-c2ncc(CNCc3ccccc3-n3cccn3)cn2)c1,3.537610206
O=C1CCCN1CCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1,1.818911775
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C,3.377411795
Cc1cccc(NC(=O)CN(C)c2ncccc2F)n1,2.606319011
O=C(NCCc1ccc(O)c(O)c1)Nc1ccccn1,2.172144462
Cc1ccc(CN(C)Cc2c(C)noc2C)o1,3.104535933
O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl,2.103919973
O=C(CSc1nc2nc(O)cc(O)c2s1)c1ccc(-c2ccccc2)cc1,2.105738342
CN1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1,2.678538409
C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1,2.504950428
COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3cnccn23)cc1,3.289164929
COCCCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1,1.991832778
COCCCNc1nnc(-c2ccncc2)s1,1.924542885
COc1ccc(-c2cc(C(C)(C)C)nc(-c3ncccn3)n2)cc1,1.877739821
CCC(CC)NC(=O)c1cc(C)nc2onc(C)c12,1.027920136
CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1,2.752265157
CC(C)c1noc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1,2.274859546
O=C(CCn1ccc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.736240288
O=C(COC(=O)c1cc(O)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1,2.264647954
CCCS(=O)(=O)NC1CCN(Cc2ccc(C)c(OC)c2)CC1,2.901865724
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)/C=C/C=C/c3ccc(C(F)(F)F)cc3)ccc2N1C,2.642548601
O=c1c2ccccc2cnn1Cc1cccc(OCC(F)(F)F)c1,1.710091967
O=C(COCC1CC1)N1CCCc2ncccc21,1.832681319
CC(C)C[C@@H](C(N)=O)n1ccnc1-c1cccc2ccccc12,3.149882061
Cn1c(=O)n(C2CCCC2)c(=O)c2c(F)cccc21,2.618293953
N#Cc1ccc(C(=O)Nn2cnnc2)cc1,1.027920136
CNCc1cc(NC)nc(C2CCCN2C(=O)COc2ccccc2OC)n1,1.654147652
COc1ccc(OCc2n[nH]c(-c3n[nH]c4c3CCC4)n2)cc1,3.028671682
O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1,1.882689573
Cc1cc(C#N)cc(N2CCc3c(ncn3CCc3ccccc3)C2)n1,3.53502295
CCCc1ncncc1C(=O)NCc1nncn1CCC,1.588350153
N#Cc1ccc(CCC(=O)Nc2ccncc2)cc1,1.780230877
Cc1nn(C)c2nc(C(C)C)cc(C(=O)O)c12,1.027920136
Cc1ccc2[nH]c(C3CCN(C)CC3)nc2c1,2.835418497
c1ccc2c(c1)CN(c1cnc3ccccc3n1)CCN2,2.797649026
COc1ccccc1-n1ncc2c(=O)[nH]c(SC(C)c3ccccc3)nc21,3.070244878
CC(=O)Nc1ccccc1OCCOc1ccc(Cl)cc1,2.822593009
COc1ccc(CCCNc2nnc(C)o2)cc1,2.180283615
c1cnc(NCc2cccc3cnccc23)nc1,2.250007471
CNC(=O)Cc1csc(-c2ccc(C)cc2)n1,3.002748188
Cc1ccc(C)c(S(=O)(=O)N2CCCN(CCn3cccn3)CC2)c1,3.304158864
Cc1cc(SCc2ccc(Cl)nc2)nc2ccccc12,3.139084987
Cc1csc(N(C(=O)c2ccc(-n3cncn3)c(F)c2)C2CC2)n1,2.333148909
CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC,2.320447486
O=c1c2cccnc2ncn1[C@H]1CCCc2ccccc21,2.075134368
c1ccc(Cc2n[nH]c(CSc3ccccc3)n2)cc1,3.120964292
O=C(NCc1cc(F)cc(F)c1)c1ccccn1,1.713036691
COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1,3.197581289
Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)c1ccc2nccn2c1,1.442448411
CCCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.536810866
C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1,2.759221236
CN(C)c1cncc(-c2ccc(C(=O)NC(C)(C)C)cc2)n1,2.683949828
Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1,2.487877603
CCOc1ccc2c(c1)cc(CN1CCSCC1)c1nn(C)c(=O)n12,2.780831967
Cc1cccc(OC2CCN(CC(N)=O)CC2)c1,1.827317568
Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1Cl,3.018893476
CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)O,1.594237812
Cc1cc(-c2nc(N(C)C)no2)cc(O)n1,1.501114059
Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NS(=O)(=O)CC(C)C)[C@H]3c3ccc(Cl)cc3)ccc12,2.97487261
CN1CCc2ccc(C(=O)NCCC(=O)Nc3cccnc3)cc21,1.937758543
CCc1nnc2n1CCN(C(=O)c1ccccc1Oc1cccnc1)C2,1.873518228
COc1cccc(OCCCn2cncc2-c2cc3c(cc2OC)OCCCO3)c1,2.026757912
COCc1noc(CNC(=O)N(C)[C@@H](C)c2ccccc2)n1,1.802855789
CC(=O)N(c1ccc(C)cc1)c1nc(Cn2ccnc2)cs1,2.322802099
CCCOc1c2c(nc3cc(C4CCOCC4)nn13)CCC2,1.206744944
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,1.701272404
COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1,2.714752111
CC(C)(C)c1csc(NC(=O)C2CC2)n1,1.949546129
O=C(NCc1ccc(O)c(O)c1)c1ccc2ccccc2n1,2.497681405
O=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1,3.036170009
Cc1nn(C)c(C)c1CCC(=O)N1CCCc2ncccc21,2.652671722
CC(C)(C)C(=O)N1CCC(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1,2.45996062
O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(-c2cnco2)cc1,2.277641298
Cc1cc(C(=O)NCC2CCC3(CC2)OCCO3)[nH]n1,1.996362796
Cc1nc(C#N)c(C#N)n1Cc1csc(-c2cccs2)n1,3.231910288
COc1ncc(-c2cccc(N(C)C)c2)c(OC)n1,3.348596113
Cc1ccc(Cn2nc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,2.830243405
CN1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1,1.307709923
c1cc(CC2CCNCC2)c2cccnc2c1,2.149302267
Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)O,1.027920136
Cc1ccc(-n2c(S)nnc2-c2ccc(O)cc2)c(C)c1,2.111060782
CC(C)N1CCN(CCCSc2ncc[nH]2)CC1,1.939813674
Cn1cc(C(C)(C)NC(=O)C#Cc2ccc3c(c2)OCO3)cn1,1.70814885
Cc1cnn(CC(=O)NCCCn2cc(Cl)cn2)c1,1.674291502
COc1ccc(-n2c(Cn3cnc(C#N)n3)nc3ccccc32)cc1,2.821992756
O=C(Nc1ccc(COC2CCCC2)cc1)N1CCC(CO)CC1,2.517033502
COCC1(CNC(=O)c2cc(Cl)cnc2O)CCC1,2.676555528
C/C(=C/COc1c2occc2cc2ccc(=O)oc12)CO,2.645545073
O=C(CN1CCCC(c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1,2.695767901
CC(C)(C)c1nccc(NCc2ccncc2)n1,2.873938755
O=c1c2sccc2nc2n1CCN(Cc1ccc(F)cc1F)CC2,3.163096047
COc1cc(C)nc(N2CCN(c3ccc4ccccc4n3)CC2)n1,2.808135319
Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1,2.93863929
CCC(=O)N(C)c1ccccc1C(=O)O,3.052677785
N#CCCn1ncnc1-c1cccc(C#N)c1,1.027920136
COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)c1C,1.713498943
CCOc1cc(N2CCOC3(CCCC3)C2)ncn1,2.800129146
O=C(NC[C@]1(O)CCN(Cc2cscn2)C[C@H]1O)c1c[nH]cn1,1.629083246
CC(=O)Nc1cccc(OCC(=O)N2CCCCC2)c1,2.098847848
Cc1csc(N2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)n1,2.025907724
Cc1nsc(Nc2ccccc2)c1C#N,2.893243406
CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1,1.027920136
Cc1cc(C)c2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cc2n1,1.224714305
CC(C)(C)c1cc(C(=O)CSc2nnnn2-c2ccccc2)cc(C(C)(C)C)c1O,1.746517539
COc1ccc(N)cc1N1CCOC1=O,1.027920136
CCc1nnc(N2CCCO2)c(C#N)c1CC,2.166868036
Cc1[nH]nc2c1C1(CCCCC1)CC(=O)N2,1.659202877
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N,1.379740501
Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCCCC3)cccc2c1=O,2.025756315
CCc1c(C(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)[nH]c2ccc(C)cc12,3.111775834
O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1,2.824888272
CCc1nnnn1Cc1noc2c1CCCC2,1.782852287
O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1,2.855272561
O=C(O)c1ccccc1-c1ccc(CN2CCCCC2)cc1,1.734535813
Cn1cc(Br)cc1C(=O)N1CCc2nn[nH]c2C1,1.641464195
Cc1cccc2cc(C(=O)NCCSc3nccn3C)n(C)c12,2.861604896
Cc1nn(Cc2csc(-c3cccs3)n2)c(N)c1C#N,2.588775756
CCn1c(SC)nnc1C1CCN(C)CC1,1.027920136
CN(C)c1ccnc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1,2.649213122
CC(=O)N1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1,1.523304145
O=C(NC1CCCC1)c1cc(C2CC2)nc2ccccc12,2.14486053
CCN(CCO)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1,1.027920136
CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1,1.027920136
C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1cccs1,2.912121578
CS(=O)(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.027920136
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1,2.123668742
CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1,2.903508879
Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,2.058813073
Cn1nc(C2CCNCC2)c2cccnc21,1.559343951
O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1,1.605778955
CC(=O)c1ccccc1-c1cccc(C(=O)NCCCN2CCCC2)c1,2.870664872
CC(C)Oc1ccc(C#N)cc1NC1CCN(C)CC1,2.000815707
c1ccc(CC2=NCCN2)cc1,1.027920136
CN(C)S(=O)(=O)CCCN1CCc2ccccc2CC1,2.855173763
Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,1.729496866
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,2.397602865
CCC(C)(C)N1CCN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1,2.201618312
O=c1c2ccncc2ncn1[C@H]1CCN(Cc2ccccc2)C1,2.901184144
CSc1cccc(-c2ccccc2-c2nnc(C)o2)c1,3.391068553
Cc1cc(C)c2c(C(=O)N3CC4(CNC(=O)N4)C3)cc(C)nc2c1,1.487279816
C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,1.796504952
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1,1.953865958
CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1,2.231273298
Nc1nnc(-c2ccc3c(c2)OCCO3)o1,1.788309812
COCC(=O)Nc1cccc(-n2cccc2)c1,2.111430552
c1nn(C2CCOCC2)cc1Nc1ncc2nnn(-c3ccc4cn[nH]c4c3)c2n1,2.883853277
Cn1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cn1,1.027920136
Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4cccc(C)c43)c2n1,2.459891338
COc1cc(F)ccc1-c1ncccc1NC(=O)C(C)C,1.410321618
Cc1ccc2nc3c(c(C(=O)NCc4nnc5n4CCC5)c2c1)CCCC3,1.458954957
c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1,2.415384063
CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1,2.264328967
Clc1snnc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,3.159559373
OC1(Cc2nc(-c3ccsc3)no2)CCCCC1,3.01570546
Cc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1,2.502889848
Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1,2.488759353
CN1CCC(N(Cc2cccnc2)C(=O)NCCCc2ccccc2)CC1,3.058604413
COc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1,1.667714385
O=C(C1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1,3.652849871
O=C(O)c1cnn(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1,1.027920136
CC(c1nnc(-c2cccs2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.435559307
COc1cccc(Oc2ccc(NC(=O)CN3CCOCC3)cn2)c1,2.140545751
NCCOc1cccc(CC(=O)N2CCC(F)(F)CC2)c1,1.027920136
O=C(c1cccs1)N1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1,2.177813437
Cc1noc(-c2ccccc2C(=O)O)n1,1.027920136
CC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1,1.775544917
COc1cccc(CN2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1,2.994858913
O=C(Nc1ccccc1-n1ccnc1)c1cccs1,1.593784333
Fc1c(CN2CCC(c3nnc4ccccn34)CC2)cccc1OC1CC1,2.077785645
Nc1ccccc1-c1nc(C2CCCCCC2)no1,3.117681196
CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1,1.650822153
Cc1nc(Nc2nccs2)cc(C2CN(c3ncccn3)C2)n1,1.870152152
Fc1ccc(F)c(-c2nc(C3CCOCC3)nn2-c2cccnc2)c1,1.862375899
COc1cc(OC)c(OC)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,1.027920136
COc1cc2nc(CN3CCC(CO)CC3)[nH]c(=O)c2cc1OC,1.027920136
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2)CC1,3.264134452
CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1,2.827400293
Cc1nnnn1CCN(C)c1ccccc1,2.344040372
Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCO4)cn2)n1,2.024374822
O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)N1CCOCC1,1.027920136
Cc1nc2ncc3c(n2n1)CC(C)(C)CC3=O,1.027920136
Fc1ccc(F)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,2.611558691
c1ccc(-n2cc(CNc3ncccn3)cn2)cc1,2.258009568
CSCc1c(C(=O)NC(C)C)oc2ccccc12,2.564701564
N#Cc1cnc2ccccc2c1OCCO,1.10404303
CC1(C)CN(CC(=O)NCC#N)c2cccc(Cl)c21,2.64729395
CC(=O)NC1(C(=O)N2CCCN(C3CC3)CC2)CCC(C)CC1,1.907669281
Cc1cc(C(=O)NCC2(c3ccccc3)CC2)on1,2.037653547
COCC(C)(C)CNC(=O)C1(Cn2cccn2)CC1,2.2738505
CCCn1ncc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc21,2.461072127
O=C(Nc1ccccn1)c1cccc2ccccc12,2.144885418
Cc1cc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)sc1C,2.981010403
COc1ccc(F)cc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.172893239
CC1(C)[C@H]2CC=C(CN3CCC4(CCC(=O)N4)CC3)[C@@H]1C2,2.292278229
CN(CCOc1ccccc1)CC(=O)NCCc1ccccc1,3.73427484
CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O,2.557970122
CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCNC[C@@H]3C[C@H]21,2.010800125
CCOc1ncccc1-c1cc(Cl)ccc1O,2.815365197
O=C(c1cccs1)N1CCCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)C1,3.690644678
Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)c(C)n1,1.602135986
O=C(CSc1ccccn1)N1CCSc2ccccc21,3.805995088
CN1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)C12CCCCC2,3.323269224
CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)cn1,1.057932227
Cc1n[nH]c(C)c1Cc1ccc(NCCC(C)C)cc1,2.684802289
O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1,2.003908383
Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1,2.255494421
CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1,1.617409267
O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1,2.830240837
COCCc1nc(-c2ccccc2-c2ccccc2)n(CCO)n1,2.260912913
O=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1,3.149464835
Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1,1.696504915
COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl,2.123093413
COc1ccc(C)cc1-c1cccnc1O,1.423180315
Cc1ccc2c(c1)cc(CNCCc1ccccc1)c1nnnn12,3.249146973
Cc1cccc(NCCc2cc(F)cc3c2OCOC3)n1,3.714726815
Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(NC2CCCC2)n1,1.958625989
Cc1ccsc1-c1nsc(NC(=O)CN(C)C)n1,2.738890703
COc1ccc(OCC(=O)N2CCN(C)CC2)cc1,2.124425967
Cc1ccc(C(=O)Nc2ccccc2C#N)cc1,2.237164067
CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O,1.027920136
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1,3.35585976
O=C(CCn1nnc2ccccc2c1=O)Nc1ccncc1,1.928226813
COc1cc2c(cc1NC(C)=O)oc1ccccc12,1.804391618
O=C(NC1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1,2.089092256
OC1CCN(c2nccc(-c3cccs3)n2)CC1,2.817179158
Cc1nc(N2CCOc3ccccc3C2)c2cnn(C)c2n1,2.434540163
Cc1cccnc1CN1CCC(O)(c2ccccc2)CC1,2.834842076
CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1,2.839462963
CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1,2.289501996
COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1,1.692000366
CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(C(F)(F)F)c1F)C2,2.37697822
Cc1nnc(NCc2cccnc2)c2ccccc12,1.711326287
O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccccc2)C1,2.958203016
CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1,1.960570659
Clc1cnc(NCC2(CN3CCCC3)CC2)nc1,2.128648012
O=C(NCc1ccc2c(c1)OCCO2)c1sccc1C1CC1,3.36540093
NC(=O)CN1CCC(COc2ccccc2C(F)(F)F)CC1,3.044293538
C[C@@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.80926672
CNc1cc(C)nc(-c2ccnc3c2ccn3C)n1,1.914776706
CCc1cc(=O)[nH]c(SCCN2CCCCC2)n1,2.64412137
COCCNC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1,2.547935844
COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cnc(C)o2)CC1,2.454536935
COc1ncc(C(=O)NCc2cnn3cccnc23)cn1,1.027920136
CCc1cnc(NCc2ccc(CN3CCCC3)cc2)nc1,2.464419494
COc1ccc(Cc2noc(-c3cccc4c3OCC(=O)N4)n2)cc1,2.170892158
Cn1c(=O)c2c(nc3n2CCN3Cc2c(F)cccc2Cl)n(C)c1=O,2.163510221
O=C(O)c1cnn(-c2ccncc2)c1C(F)F,1.027920136
CC1(C)CN(C(=O)C2(C(=O)N3CC(C)(C)C3(C)C)CCC2)C1(C)C,3.082351577
O=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1,2.571648283
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,2.758344821
Cc1cnc(-n2cnnc2)c(-c2cccc(Cl)c2Cl)c1,2.218672021
N#Cc1ccnc(Nc2ccc(F)cc2)c1,2.267950412
Cc1cccc(NC(=O)c2ccccc2-c2ccccc2)n1,2.836297525
N#Cc1cc(N2CC(CO)C2)nc2ccc(Cl)cc12,2.084236573
CCc1cnc(C)nc1-c1ccc(-c2ccn[nH]2)cc1,1.875188638
OCc1cnnn1-c1cncc(Cl)n1,1.027920136
COCC1(CNS(=O)(=O)c2ccc3[nH]cnc3c2)CCC1,2.934497441
CSc1ncccc1C(=O)Nc1ccc(-c2nnc(C)[nH]2)cc1,1.644162759
Fc1cc(CCNc2ncnc3sccc23)c2c(c1)COCO2,3.447841197
CCn1nccc1CNc1nnc(-c2ccc(OC)cc2)o1,1.881755446
Cc1cc(C)c(CC(=O)N2CC(CO)C2)c(C)c1,1.192316505
O=C(Cn1cc(NCc2cccc(Cl)c2)cn1)N1CCOCC1,1.856849679
CNc1ncnc2c1ncn2[C@H]1CC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)[C@H](O)[C@H]1O,1.298547435
CSC1(CNc2cc(C)nc(C)n2)CCOCC1,1.881664204
CN(C)c1ccc2c(c1)OCCN2C(=O)NCc1cccnc1,2.872877942
CC(C)Cc1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)n[nH]1,2.453306106
O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1,1.027920136
COc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccc(Cl)cc1,1.872097974
Cc1cc(NC(=O)[C@H](C)N(C)C)c2ccccc2n1,2.03661692
O=C1CC[C@H](O)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1,2.653160395
Cc1cc(C(=O)N(C)c2nc3ccccc3s2)cc(O)n1,1.207311151
CC(C)c1nnc(CNc2ncc(Br)cn2)n1C,1.027920136
CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,2.272106283
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3F)C2)n1,2.705097036
Cc1cc(Nc2ccc3c(c2)oc(=O)n3C)nc(C2CC2)n1,2.201683828
COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1Cl,2.759158477
O=C(Nc1ccccc1)Nc1ccccc1,1.960965202
CN(CC#N)C(=O)c1cccc(CN2CCCC2)c1,2.508392339
Cc1[nH]nc(CCC(=O)NCCCOC2CCCCC2)c1C,3.639721403
CN(c1ccccc1N)S(C)(=O)=O,1.381494133
CC(=O)NC1CCN(Cc2cccc(-c3cccnc3)c2)CC1,1.626494345
Cc1ccc2cccc(OCC(=O)N(C)c3ccccc3)c2n1,2.683415402
Cc1nccc(-c2cccc(NCC(=O)NCC(=O)N3CCCC3)c2)n1,1.209032197
CSc1ccc(C)c(C(=O)NCCN2CCC(C)CC2)c1,3.242039762
CC(=O)Nc1cnn(CC2CCN(C)CC2)c1,1.027920136
C[C@H](c1nc(=O)c2cnn(C3CCOCC3)c2[nH]1)N1CC(Oc2ccccc2)C1,2.206599228
COc1ccc(-c2ccc(CNc3ccc(CN4CCC(C)CC4)cc3)cc2)cc1,1.517341079
O=C(CCn1cncn1)N(CC#Cc1ccccc1)C1CCCC1,3.130409361
COC(=O)c1cc(F)c(C)c(NC(=O)CCCc2ccccn2)c1,3.224233848
Clc1ccc(CSc2nc(-c3ccccc3)c[nH]2)cn1,3.458937447
O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(n2cccc2)CC1,2.437874177
O=C(Nc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21,2.062675977
O=C(C1CCC1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1,3.676817937
Fc1cccc2c1CN(Cc1c[nH]nc1-c1cccnc1)CC2,3.094119498
Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1,2.220152562
C[C@@H](CO)Nc1nc(C(F)(F)F)nc2[nH]cnc12,1.027920136
C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,2.772600387
Cn1ncnc1NCc1cc(F)cc(F)c1,1.027920136
Cc1ccc(Nc2ccnc(Nc3ccc(C)cc3)n2)cc1,2.678859671
N#CC1(NC(=O)CN2CCOCC2)CCCCCC1,1.816638945
O=C(NC1CC1)c1cccc2cccnc12,1.494919503
O=C(NCc1nnc2c(O)nccn12)C1CCCC1,1.027920136
O=C(Cc1cccc2ccccc12)NCc1nnc2n1-c1ccccc1CC2,3.238495478
Cn1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1,1.578593372
O=C(Cc1ccc(Cl)c(Cl)c1)N1CC(n2ccnn2)C1,1.714052997
Fc1ccccc1CN1CCN(c2ncccn2)CC1,2.902895597
C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1,2.82465617
Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1,2.702888717
CC(C)c1nc(/C=C/c2cnn(C)c2)ncc1C(=O)O,1.027920136
O=C(c1cccc(Nc2ncccn2)c1)N1CCOCC(Cc2cccc3ccncc23)C1,3.217539478
CC(C)COc1ccc(C(C)(C)NCc2nnc(C3CCC3)o2)cc1,3.487681399
CC(=O)NC1CCC(NCCSc2ccc(C)cc2)CC1,2.698079657
Cc1ccc(C)c2nc3c(cc12)CNCCO3,2.369666622
Cc1ccc(-c2cnn3c(O)cc(Cn4cccn4)nc23)cc1,2.351527688
Nc1c(F)ccc2cnc(-n3ccc4ccncc43)cc12,3.372693144
CC(C)Oc1ccc(CCNC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)cc1,2.692272178
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,1.027920136
C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,1.027920136
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1,2.897660624
Cc1nnc2ccc(NCCOC3CCCCCC3)nn12,2.954687674
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F,1.954932007
C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,2.495082047
CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1,2.684593146
Cc1n[nH]c(-c2c(C)c3cc(F)ccc3n2C)n1,2.499054421
Cc1cccc(C)c1OCC(=O)N(C)C1(C#N)CCC1,2.674191278
N#Cc1cccc(CNCc2ccccn2)c1,1.481084152
c1ccc(-n2ncc3c(-n4ccnc4)ncnc32)cc1,2.575138175
COc1cc2c(c(OC)c1OC)CCNC(=O)C2,1.027920136
Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,1.027920136
CCCCc1c(C)[nH]c2nc(N(Cc3cccs3)C(C)=O)nn2c1=O,1.908216853
CC(=O)NCC1CCN(C(=O)c2ccc(C)nc2)CC1,1.027920136
Cc1cc(F)ccc1NC(=O)Cn1cncn1,1.027920136
CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21,2.500914016
O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC(Oc2cccnc2)CC1,3.320450809
COc1ccc(CN(C)C(=O)Nc2ccccc2)cc1F,2.808804935
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,1.165562747
Cc1ccc(-n2ccnc2-c2ccoc2)c2cccnc12,2.762359664
COC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,2.19830236
COc1cccc(NC(=O)C2CNC2)c1,1.773925339
CN(CC(=O)NC1(C#N)CCCC1)c1ccccc1,2.697531848
Cc1cc(NC2CCCC2)nc(C2CCNCC2)n1,1.395308916
Cc1cnc(C(C)(C)NCC(=O)N(C)C)s1,1.320644711
CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO,2.152526835
CC(COc1ccccc1Cc1ccccc1)N1CCCCC1,3.459669714
N#CCn1ncnc1-c1cccc(C#N)c1,1.705709801
c1ccc(NCc2ccc3c(c2)OCCCO3)nc1,3.851427568
COc1ccc2nc(C)c(C(=O)Nc3ccccc3N3CCCC3)cc2c1,2.993340984
CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1,2.746011108
Cn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)ccc1=O,1.027920136
Cc1cnn(Cc2cc(F)ccc2F)c1N,1.027920136
CC(C)c1nnc(CN2CCN(c3nccs3)CC2)o1,2.086754788
Cc1nc(C)n(-c2ccccc2NC(=O)c2cc(C#N)cn2C)n1,2.211553018
CCc1ccccc1NC(=O)Cn1nc(C)cc1C,1.977476673
O=C(C(c1ccccc1)c1ccccc1)N1CCOCC(Cc2ccc3cnccc3c2)C1,2.81471827
COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1,2.774065649
Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(C)(C)O)n1,1.027920136
Nc1c(C(=O)NCC2CCCO2)sc(=S)n1-c1ccc(Cl)cc1,1.965121856
Cc1c(C(=O)Nc2ccc(CO)cc2)nnn1Cc1ccc(Cl)c(Cl)c1,1.706068842
COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1O,1.027920136
O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1,1.367616792
CCN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCCC2)CC1,2.860599702
CCc1ccc2nc(C)cc(C(=O)N3CC(c4cccnc4)C3)c2c1,2.81682505
COc1cc(CCNC2CCC3(CC2)OCCO3)ccc1F,3.350642001
Cc1ccnc(N2CC(O)(c3ccc(F)cc3)C2)c1C#N,3.560187091
Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1,2.701628419
O=C(NCc1ccccn1)c1ccc(F)cc1Cl,1.027920136
CS(=O)(=O)NC1CCCN(c2nc3ccccc3o2)C1,1.626165793
CC(C)(C)n1ncc(C(=O)N2CCCn3ncnc32)c1C(F)(F)F,2.574546325
CNC(=O)c1cn(C)nc1CC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1,1.37794338
Cc1csc2nc3n(c(=O)c12)CCNCC3,2.357198971
CC(C)(C)C(=O)N1CCC(CN(CC(N)=O)C2CCCC2)CC1,3.148166599
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)C2CN(Cc3ccc(Cl)cc3)C2)n1,1.452920564
CC(C)CN(c1ncnc2c1cnn2C)C1CC1,2.538211671
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CC(=O)N(C)C)cc1,3.383449292
Clc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cn1,1.824529338
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,1.027920136
Cc1nccc(-c2cccc(NCC(=O)Nc3ccc(F)cc3)c2)n1,2.482729271
Cc1cc(N(CCO)CCCO)ncc1Br,2.679317037
N#Cc1ccc2nc(NCCn3ccnc3)ccc2c1,1.736141429
COc1ccc(CN2CCC(c3nc(C(C)C)no3)CC2)c(F)c1,3.233032935
c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1,1.853436583
Cc1ccc(CC(=O)Nc2nc(C)no2)cn1,1.027920136
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21,1.152288344
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,2.396649106
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccccc1F,3.254931209
CN1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1,3.203969854
O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1,2.603805599
COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F,2.573176894
CC(C)c1nc2c(n1C)CCN(c1ncnc3ccsc13)C2,2.753205281
Cc1cc2nc(CCC(=O)N3CCc4n[nH]cc4C3)[nH]c2cc1C,2.278222981
C#CCNC(=O)Cc1coc(-c2ccccc2)n1,2.150805545
CC(C)(O)CCn1cc2cc(NC(=O)c3ccn(C(F)F)n3)c(OCC3COC3)cc2n1,1.124927879
Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1,3.281457223
Cc1noc2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,2.575872243
CCCNC(=O)c1c(C)nn(-c2ccccc2)c1C,3.313825265
Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCCC3)cc1,2.259804048
N#CC1(NC(=O)c2ccc3c(c2)OCO3)CCCC1,1.811963552
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,1.027920136
CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1,3.31341266
CC(C)CCN1CCc2nc3cc(C4CC4)nn3c(O)c2C1,1.481456961
CCc1nc(CN2CCC(=O)Nc3cc(F)ccc32)n[nH]1,1.207795885
CC(C)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1,1.715351413
CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,1.41575771
C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21,1.032256026
OCc1ccc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)cc1,2.057521569
CN(C)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cn1,2.565557405
Cc1nnc(CN(C)Cc2cnn(C)c2C)s1,1.301724312
CSCc1csc(NC(C)=O)n1,2.394859516
CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,2.439157361
CN(Cc1nc2c(s1)CCCC2)c1cnccn1,3.106013674
Cc1nnc(COc2cccc(-n3ccnc3)c2)n1C1CC1,1.219348717
C#CCNC(=O)c1ccc2c(c1)OCO2,1.536823483
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,2.160423509
CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,2.886557838
O=C(CSCCc1ccccn1)Nc1ccccc1,3.427032427
Cn1ccnc1CNc1cc(Br)ccc1-n1cccn1,2.463495823
CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1,2.348908172
O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,3.142284948
COC(=O)[C@@H]1C[C@H](O)CN1CCc1ccccc1F,3.528063335
Cc1nccn1CCCN1C(=O)SC(C)(C)C1=O,1.919046696
CCn1nc(Cc2ccc(OC)cc2)nc1Cc1sc(C)nc1C,2.366940067
O=C(NC[C@]1(O)CCN(Cc2ccsc2)C[C@H]1O)c1c[nH]cn1,1.027920136
Cc1ncsc1CCN1C(=O)NC2(CCCC2)C1=O,2.235679919
O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1,1.037346804
O=c1c2oc3ccccc3c2ncn1Cc1ccc(Cl)cc1,2.957348165
O=C(CNc1cc(N2CCCC2=O)ccc1F)N1CCCCCC1,2.594275397
C=CCN(Cc1cccnc1)c1nc(C)nc2sccc12,3.170271986
Cc1ccc(C(=O)Nc2ncccc2C)s1,1.53879987
c1ccc(C2(CNc3nc4ccccc4o3)CCOCC2)cc1,3.530841697
O=c1[nH]nc(CCCN2CCOCC2)n1-c1cccc(Cl)c1,1.449061647
CN(Cc1ccc(Br)o1)C(=O)CN1CCCC1=O,1.222560409
CS(=O)(=O)CCNC(=O)N1CC2(CCCC2)c2ccccc21,2.284187009
Cc1cc(Nc2ncccn2)cc(C2CCCN(CC(=O)Nc3ccc(F)cc3)C2)n1,2.658694277
O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1nccs1,2.709309826
Cc1cc(NC(=O)c2ccc(NC3CC3)nc2)[nH]n1,1.191283301
C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,1.435764759
O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,2.739014285
CN(C)C(=O)COc1ccc(N)c(F)c1,1.027920136
Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1,1.735023717
C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2,1.551718299
Cc1ccc(-c2ccc(N(C)CCO)nn2)c(-n2cccn2)c1,1.902051869
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,2.226256974
Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl,1.289455166
O/N=C1/CCCc2c1cnc1ncnn21,1.027920136
Cc1nc2n(c1CN1CCN(c3ncccn3)CC1)CCCC2,3.072682506
CCc1nnc(NC(=O)Cc2c(C)noc2C)s1,1.027920136
CCC(Nc1cnn(C)c1)c1ccc2c(c1)OCCO2,2.521183865
O=C([C@@H]1CCCN1C(=O)NC(c1ccccc1)c1ccccc1)N1CCCCC1,2.937915395
Cc1ncsc1-c1nc(CNc2cc(F)cc(F)c2)no1,2.82022117
CCCN(C(=O)c1ccc(COC)o1)c1nc2c(s1)CCc1c-2cnn1C,1.9493968
N#CC1(NC(=O)C2CCCCCC2)CC1,1.027920136
Cc1cc(C(=O)Nc2nnc3n2CCCC3)n(C)n1,1.056752441
O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(F)c(F)cc21,3.295658567
Cc1cnn(CCNC(=O)C2(Cn3cccn3)CC2)c1,2.03343984
Cc1cc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1Cl,3.160701073
CN(CCO)C(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1,1.734551819
Cc1nc(NCc2sccc2C)n(C)n1,1.33383001
CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1,2.836996561
O=C(NCc1nc(-c2cnccn2)n[nH]1)C1Cc2ccccc2C1,1.278845022
OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1,2.091336276
CCc1c(C)nn(CCNC(=O)CCc2cnccn2)c1C,2.811035153
CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1,1.750824551
Cc1cccc(-n2c(S)nnc2CNc2ccc(F)cc2)c1,2.274009979
COc1ccncc1NCc1cscn1,1.404765318
CC(=O)N1CCN(C(=O)CS(=O)(=O)C23CC4CC(CC(C4)C2)C3)CC1,2.47457754
CN(C)C1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1,2.941385201
c1nc(NC2CCN(C3CC3)CC2)c2sccc2n1,1.906157193
Cc1ccc(-c2cc(NC(=O)CN3CCOCC3)on2)cc1,1.85115435
Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2c(C)noc2C)n1,2.762027009
COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CC2,2.849634972
CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1C#N,1.027920136
Cc1cc(C(=O)N(C)CCCC2CCCC2)cc(C)n1,3.752342439
CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(Cl)c2)cc1,2.813429526
Nc1nccc2ccc(-c3cccc(F)c3)cc12,2.897845283
Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1,1.693999396
Cc1ccc(-c2nc(CN3CCOCC3)n(Cc3ccc(F)cc3)n2)o1,3.144640514
CCOCCNC(=O)c1cccc(-c2cc(F)ccc2OC)c1,2.913366617
O=c1n(Cc2ccccn2)nc2n1-c1cc(Cl)ccc1C1=NCCN12,1.680598368
CC(=O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1,1.721967164
CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1,3.474071815
OC1(c2cccnc2F)CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1,2.230987623
CONC(=O)c1cn(-c2ccc(Br)cc2)cn1,2.665532212
Cc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1C,1.798906038
Nc1ccc(Oc2ccccc2F)nc1,1.417604535
Cc1ccc(F)cc1NCc1csc(-c2cnn(C)c2)n1,2.604095313
O=C(Nc1ccc2ccccc2n1)c1ccc(N2CCOC2=O)cc1,1.659098158
COc1ccc(C)cc1S(=O)(=O)NCCC(=O)Nc1ccccc1C,3.333076707
Cn1c(=O)c(C(=O)CSc2nc3ccccc3n2C)c(N)n(Cc2ccccc2)c1=O,3.380791722
CN(Cc1cccc(C#N)c1)Cc1cnn(C)c1,1.027920136
CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1,2.552634152
O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccn2)CC1,2.080686
Cc1ccc(CCNc2nc(C)cc(C)n2)cn1,2.283733046
Cc1cccc2ncn(CCc3ncc[nH]3)c(=O)c12,3.350864511
NCCN1CCN(C/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1,1.697299103
CC1(C)O[C@@](C)([C@H]2CC3(CCNCC3)CO2)CC[C@@H]1O,1.027920136
O=S(=O)(NC[C@H]1CCCN1)c1ccc(OC(F)F)cc1,1.537403484