Internal ID,SMILES,log RLM CLint
Mol1,CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12,1.392169149
Mol2,CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1,1.027920136
Mol3,CN(c1ncc(F)cn1)[C@H]1CCCNC1,1.027920136
Mol4,CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O,1.027920136
Mol5,CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1,1.629093448
Mol6,CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1,2.376374361
Mol7,CC(C)NCC(O)COc1cccc2ccccc12,3.318275952
Mol8,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,2.72806226
Mol9,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,3.2433
Mol10,CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1,3.192741081
Mol11,CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1,1.28368559
Mol12,COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1,2.138776216
Mol13,CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,2.365560985
Mol14,CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1,2.160423509
Mol15,Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,2.238813599
Mol16,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,2.2125152
Mol17,N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1,1.849836922
Mol18,CCCc1cc(N2CCc3c(nc(C4CC4)n3C)C2)n2ncnc2n1,2.25299858
Mol19,Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,2.208589142
Mol20,Nc1c(F)ccc2cnc(-n3ccc4ccncc43)cc12,3.372693144
Mol21,C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,1.435764759
Mol22,Cn1cc(Nc2nccc(N3CC4CCC(C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1,1.511656132
Mol23,[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,1.417438476
Mol24,C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1,3.161600362
Mol25,Nc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl,1.571266162
Mol26,Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O,1.637629802
Mol27,Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1,1.027920136
Mol28,O=C(Nc1cccnc1)c1ccnc(NC(=O)C2CC2)c1,1.436051275
Mol29,O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12,1.027920136
Mol30,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,2.607477542
Mol31,CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,2.281224324
Mol32,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1,2.322653372
Mol33,CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,2.272106283
Mol34,C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,2.758344821
Mol35,C=CC(=O)N1CCC[C@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,2.712971095
Mol36,CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,3.056338375
Mol37,CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1,2.715512815
Mol38,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1,2.53699252
Mol39,C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,1.027920136
Mol40,COc1ccccc1-c1cc(NC(=O)c2cccc(N3CCNC3=O)c2)[nH]n1,2.012702277
Mol41,Nc1ncc(-c2cccc(C(F)(F)F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1,3.177817186
Mol42,O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,1.572453363
Mol43,Fc1ccccc1-c1c[nH]nc1C1CCCN1Cc1ccc2ncccc2c1,3.213226004
Mol44,Cc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1,3.329049083
Mol45,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,1.409628842
Mol46,Cc1c(Cl)ccc2cc3n(c12)[C@@H](C)CNC3=O,1.847547983
Mol47,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCNC1,2.012651661
Mol48,Cc1nnc(CN(C)CC(C)Oc2ccc(Cl)c(Cl)c2)n1C,3.158486128
Mol49,COc1nn(C)cc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1,1.848847759
Mol50,COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1,1.027920136
Mol51,Cc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@@H](C)C2)s1,2.804398773
Mol52,Cc1ccc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)s1,3.182090951
Mol53,CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1,2.746011108
Mol54,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,2.077589539
Mol55,CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCO2)CC1,3.377908999
Mol56,CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cc1,2.808125186
Mol57,CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(Cl)c2)cc1,2.813429526
Mol58,O=C1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cn2)CCN1,1.387407625
Mol59,O=C1NCCN(C(=O)c2ccc3nccn3c2)C1c1ccccc1C(F)(F)F,1.573811169
Mol60,Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)c1ccc2nccn2c1,1.442448411
Mol61,O=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl,1.968889034
Mol62,C[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@@H](C)O1,3.278679765
Mol63,CN1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2,3.037733185
Mol64,CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1,3.158208351
Mol65,OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3n2)c1)c1ccccc1,2.518683676
Mol66,Cc1ncsc1C(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cccc(Cl)c1,3.077711934
Mol67,OCC1CCCCN1Cc1ccc(Cl)c(Cl)c1,2.476100913
Mol68,CC(=O)N1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1,2.335620355
Mol69,COc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1,2.691249517
Mol70,c1ccc(Oc2cccc(CN(CCN3CCOCC3)Cc3cccnc3)c2)cc1,3.588207258
Mol71,COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(F)c4)[C@H]23)cc1,3.293540435
Mol72,Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12,1.719090867
Mol73,OCC1CCCCN1Cc1ccc(-c2ccccc2)cc1,3.346903123
Mol74,Nc1ncc(C(=O)NC2CN(C(=O)C3CC3)C2)c2ccc(-c3cccc(F)c3)nc12,1.470307565
Mol75,CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1,1.617409267
Mol76,Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3c2)o1,1.788882177
Mol77,Cc1ncsc1C(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1,2.761852694
Mol78,O=C(Nc1ccc2ccccc2n1)c1ccc(N2CCOC2=O)cc1,1.659098158
Mol79,O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21,2.9013079
Mol80,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,2.014996993
Mol81,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1,2.516764029
Mol82,CCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,3.159066443
Mol83,O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,1.28688292
Mol84,CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O,2.243926822
Mol85,CCN(C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1,2.771252261
Mol86,NCCN1CCN(C/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1,1.697299103
Mol87,Cn1c(C2CC2)nc2c1CCN(c1ncnc3ccsc13)C2,3.038396003
Mol88,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,2.199853869
Mol89,COc1nn(C)cc1C(=O)Nc1cccc2cnccc12,2.255957185
Mol90,CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(F)c2)C1,2.949896713
Mol91,Cc1ncc(CN2CCC(Nc3ccc4nnnn4n3)C(C)C2)s1,2.088001348
Mol92,Cc1nc(Nc2nccs2)cc(C2CN(c3ncccn3)C2)n1,1.870152152
Mol93,COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1Cl,2.759158477
Mol94,COc1ccc(CCCN2CCN(c3cnn(C)c3)C(=O)C2)cc1F,1.644537058
Mol95,Cc1noc(C(C)C)c1C(=O)N1CC(C)OC(c2ccccc2)C1,3.206827764
Mol96,CN(Cc1ccccc1)C1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C1,3.440209084
Mol97,Cc1c(F)cccc1NC(=O)CN1[C@H]2CCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1,3.037958084
Mol98,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,2.484587375
Mol99,O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1,2.280027186
Mol100,Cc1ccc(NC(=O)CN2[C@H]3CCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)cc1F,3.521284437
Mol101,CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC=CCC2)CC1,3.432739262
Mol102,COCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)NC(C)C)CC1,2.757490166
Mol103,COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,2.746921299
Mol104,C#C[C@@](C)(CC)NC(=O)c1cc(F)cnc1NC1CC(F)(F)C1,2.495928511
Mol105,Cn1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1,1.578593372
Mol106,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,1.027920136
Mol107,CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(F)cc2)C1,2.878798599
Mol108,CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(F)c2)C1,2.992100431
Mol109,CC(=O)Nc1ncc(CN2CCCC[C@@H]2C)s1,1.150111425
Mol110,O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3F)N2C(=O)c2cccc3ncccc23)N1,2.602536368
Mol111,CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,2.339360001
Mol112,CC(O)(C#Cc1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2)c1nccs1,2.514890272
Mol113,COCCc1noc(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n1,3.302756139
Mol114,Cc1[nH]nc2c1C1(CCCCC1)CC(=O)N2,1.659202877
Mol115,Cc1oc2ccccc2c1CNc1nnc(-c2ccncc2)o1,2.149366932
Mol116,O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1,2.73638694
Mol117,C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2cccc3ncccc23)oc1=O,3.033483668
Mol118,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,3.082243061
Mol119,O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)C2CC2)c1,1.880241776
Mol120,CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O,1.915521189
Mol121,CC1CN(C(=O)c2cccnc2N2CCOCC2)CC(c2ccccc2)O1,2.743158424
Mol122,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,1.027920136
Mol123,Cc1cc(Nc2cnccn2)cc(C2CCCN(CC(=O)N3CCCC3)C2)n1,1.994000227
Mol124,Cc1cccnc1Nc1cccc(C2CCCN(CC(=O)Nc3nccs3)C2)n1,2.765263869
Mol125,CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnn(C)c2)CC1,3.097606757
Mol126,CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(Br)cc1,2.392746182
Mol127,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1,2.827400293
Mol128,CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2Cl)C1,2.747637831
Mol129,Cc1cc(N2CCCC2c2cc(CCC(=O)O)cc(C)n2)ncn1,1.027920136
Mol130,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,1.180527283
Mol131,O=C(CN1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCC1,3.058701926
Mol132,COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC,2.187091855
Mol133,Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Cl)cc3)sc2n1,3.188084374
Mol134,COCCNC(=O)c1ccnc(C2CCNCC2)c1,1.206123964
Mol135,COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl,2.123093413
Mol136,CC1(CNC(=O)c2cncc(C3CCNCC3)n2)CCCO1,1.32842038
Mol137,Cc1cc(N2CCCC2)nc(C2CCCN(C)C2)n1,2.519927699
Mol138,O=C1NCCSc2c1sc1ccc(O)cc21,1.978326627
Mol139,CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21,2.048927103
Mol140,CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1,1.247948729
Mol141,Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,1.027920136
Mol142,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,1.958473097
Mol143,O=C1CCC(=O)N1Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1,3.144807014
Mol144,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(Cl)c(Cl)c1,2.445191505
Mol145,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,1.856221212
Mol146,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,2.800315583
Mol147,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,1.407560849
Mol148,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,1.598024072
Mol149,COc1cc(Nc2cc(-c3cccc(C#N)c3)ccn2)ccc1N1CCN(C)CC1,2.296616933
Mol150,COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,1.027920136
Mol151,CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1,1.559511632
Mol152,O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1,1.027920136
Mol153,CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F,2.338270185
Mol154,C[C@@]1(c2ncncc2F)NC(=O)c2cc(-c3cn[nH]c3)ccc21,1.542707193
Mol155,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1.775967056
Mol156,CC(C)(C)OC(=O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1,1.316263972
Mol157,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,1.027920136
Mol158,Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(CC3CC3)n2)cc1C(F)(F)F,1.861122024
Mol159,NS(=O)(=O)C#Cc1ccccc1,1.027920136
Mol160,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1,2.591679978
Mol161,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1,2.50806218
Mol162,C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,3.308929409
Mol163,CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,2.439157361
Mol164,N#CN1CCC[C@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1,1.833892616
Mol165,CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12,2.901441974
Mol166,Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1,1.693999396
Mol167,CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1,2.348908172
Mol168,COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1,3.525185185
Mol169,c1ccc(-c2ccc(CN3CCCCCCC3)cc2)cc1,3.184623585
Mol170,CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2Cl)CC1,3.553730633
Mol171,CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2)CC1,3.264134452
Mol172,Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CC(=O)N(C)C)cc1,3.383449292
Mol173,O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)N1CCCCC1,2.926789889
Mol174,Cc1ccccc1-c1nc(Cn2ccnc2C(C)C)c(C)o1,3.43425888
Mol175,CCc1nc2cc(-c3c(OC)cccc3OC)ccc2o1,3.575702918
Mol176,O=C(C1CCC(O)CC1)N1CCCN(c2ccc(F)cc2)CC1,2.313915707
Mol177,CCn1ncnc1-c1[nH]cnc1-c1ccccc1,1.681621079
Mol178,Cc1nnc(NCCc2ccc3c(c2)OCO3)c(C#N)c1C,2.970806966
Mol179,Cc1nc(N2CCn3ccnc3C2)c2cnn(C)c2n1,1.027920136
Mol180,Cc1cc(CN(C)Cc2cscn2)no1,1.397000918
Mol181,Cc1occc1C(=O)NCC(=O)Nc1nc2cc(Cl)ccc2n1C,2.290499837
Mol182,CCNC(=O)c1ccc(CS(C)(=O)=O)cc1,1.314920056
Mol183,c1ccc(-c2noc(NC3CC3)n2)cc1,2.250100263
Mol184,Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc12,1.027920136
Mol185,CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1,2.355369136
Mol186,O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccn1,2.652403974
Mol187,COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)s2)c1,1.684324614
Mol188,O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)O,2.309415096
Mol189,CCN1CCC(CNC(=O)c2cc(C)nc3cc(F)ccc23)CC1,1.027920136
Mol190,COc1ccc(CCC(=O)N2CCCNCC2)cc1,1.027920136
Mol191,Cc1cc(-c2cnn(CCNC(=O)c3sc(C)nc3C)c2C2CC2)on1,2.088444417
Mol192,O=C(CSc1nc2nc(O)cc(O)c2s1)c1ccc(-c2ccccc2)cc1,2.105738342
Mol193,C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1,1.194764024
Mol194,CN(C)c1ccc2c(c1)OCCN2C(=O)NCc1cccnc1,2.872877942
Mol195,O=C(NCc1ccc(CO)c(F)c1)Nc1ccccc1,1.317080886
Mol196,CCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1,3.134906696
Mol197,O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2O)CC1,2.10436418
Mol198,COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1OC,3.03685317
Mol199,CSCC(=O)N1CCN(C(=O)CSC)C2(CCCCC2)C1,2.938697809
Mol200,CCCCNC(=O)c1cccc2ncccc12,1.446832188
Mol201,COc1cccc(OCCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1,2.546181012
Mol202,Cc1ccc(C(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1F,1.347583686
Mol203,COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1C,2.771466214
Mol204,Cc1cc(OCC(=O)N(C)C2CCCCCCC2)no1,3.345284314
Mol205,CC(C)CNc1nnc(SCc2ccncc2)s1,2.800070653
Mol206,COc1c(C)cccc1CN1CCC(O)(c2ccc(F)cc2)CC1,3.106687484
Mol207,Cc1nn(-c2ccc(C(=O)O)cc2C#Cc2ccccc2)c(C)c1C,2.774355626
Mol208,Cc1cc(C)nc(Nc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc2)n1,2.072025522
Mol209,CCc1nc2ccccc2n1CC(=O)N1CCNC(=O)C1,1.027920136
Mol210,O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(CC1CC1)C2,2.575853791
Mol211,CCN(C/C=C/c1ccc(F)cc1)Cc1nc(COC)no1,2.935639247
Mol212,CC(=O)Nc1ccc2nc(C)cc(O)c2c1,1.027920136
Mol213,O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1,3.335113337
Mol214,CC1CCN(CCNC(=O)c2ccncc2)CC1,2.690079071
Mol215,CCN1CCC(N(C)c2ncnc3c2cnn3C)CC1,1.567955163
Mol216,CN(CC#N)C(=O)c1cccc(CN2CCCC2)c1,2.508392339
Mol217,Cc1cc2nc(CCC(=O)N3CCC(c4ccc(C(=O)N(C)C)c(N)n4)CC3)[nH]c2cc1C,2.505620661
Mol218,O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1,1.246695495
Mol219,CNC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1,1.05095946
Mol220,COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2C1,3.365992559
Mol221,O=C(CCOc1ccccc1)N1CCCC1,1.93230123
Mol222,c1ccc(-c2n[nH]c(C3CCN(c4ccccn4)CC3)n2)cc1,2.64325325
Mol223,COc1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1,2.717138541
Mol224,CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1,1.497593031
Mol225,COc1ccc(CN2CCC(c3nc(C(C)C)no3)CC2)c(F)c1,3.233032935
Mol226,Cc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1C,2.425750988
Mol227,CCNC(=O)C1CN(c2cccc(C#N)n2)C1,1.027920136
Mol228,O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccccc2)C1,2.958203016
Mol229,CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)Cc3ccccc3)CC2)cn1,2.74931418
Mol230,c1ccc(CO[C@@H]2CCC[C@H]2n2cc(-c3nccs3)nn2)cc1,3.479500594
Mol231,Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1,2.973620083
Mol232,NCc1cccc(C(=O)N2CCCC2)c1,1.027920136
Mol233,Cc1ncsc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,2.714158691
Mol234,Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)nc1,1.548119052
Mol235,O=C(NCc1cnn(-c2ccccc2)c1)C1CCC1,2.066966643
Mol236,CNC(=O)c1ccc(N2CCCC2)nc1,1.764295715
Mol237,Cc1cc(C)nc(N(C)CC(=O)NC2CC2)n1,1.364006614
Mol238,Cc1cc(C(=O)Nc2cccc3ncccc23)on1,1.044304519
Mol239,CN(c1ncnc2c1cnn2CCO)C1CCCCC1,1.889178401
Mol240,NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O,2.832521686
Mol241,CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)nc2)CC1,2.54333533
Mol242,Cc1cc(OCc2ncc(C(C)(C)C)o2)nn1C,2.816379854
Mol243,Clc1cccc(CNc2nc(C3CC3)no2)c1,2.218144096
Mol244,Cc1ccc(-c2nc(NCc3ccco3)ncc2-c2cc(C)no2)cn1,2.691941269
Mol245,O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,3.094085578
Mol246,COc1nc(C)nc(N(C)Cc2nccs2)c1C,2.706250814
Mol247,O=C(c1ccc2c(c1)OCO2)N1CCC(c2n[nH]c(C3CC3)n2)CC1,1.649529566
Mol248,CN(Cc1cccc(C#N)c1)Cc1ccccc1C#N,3.625142096
Mol249,CN1CCN(Cc2noc(Cc3ccccc3)n2)c2ccccc21,3.300817574
Mol250,COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CC2)cc1,2.425389105
Mol251,O=C(c1cccnc1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,3.102705655
Mol252,CNC(=O)c1ccc(N(C)C2CCC2)nn1,1.605595915
Mol253,CC#CCNc1ccc(-n2cnnn2)c(C)c1,2.116617705
Mol254,Nc1nc2ccccc2nc1N1CCCC1,2.527157978
Mol255,CCn1c(=O)n(CC)c2cc(N)ccc21,1.300921408
Mol256,Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccccc2Cl)n1,3.001873841
Mol257,COc1ccccc1C(=O)NCc1nc(C)cc(N2CCCCC2)n1,3.02141714
Mol258,CCc1nnc(NC(=O)Cc2cccc(F)c2)s1,1.882649742
Mol259,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1F,3.040661666
Mol260,Cc1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,2.859452942
Mol261,O=C(CN1CCCN(c2nccs2)CC1)Nc1cccc(Cl)c1,3.290218758
Mol262,COc1ccccc1NC(=O)CN1CCCN(c2nc(C)cs2)CC1,3.290326493
Mol263,CC(C)(C)c1cc(NC(=O)c2cccc3cn[nH]c23)[nH]n1,2.245922093
Mol264,Cc1ccccc1OCCCNc1cc(Cn2c(C)nc3ccccc32)nc(N)n1,3.327467852
Mol265,COc1ccc(-c2cccc(C3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1,3.345796839
Mol266,O=C1CCCN1CCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1,1.818911775
Mol267,Cc1noc(C)c1C(=O)N1CCCN(c2ccc(F)cc2)CC1,2.753002846
Mol268,COCC1CCN(c2noc(-c3cccs3)n2)CC1,2.511771098
Mol269,NC(=O)COc1ccccc1-c1ccccc1,1.878757262
Mol270,Cc1nc(C)c(C)c(NCc2cc(-c3ccc(F)cc3)no2)n1,2.384555906
Mol271,Cc1cccn(Cc2cccc(F)c2)c1=O,1.857248042
Mol272,C[C@@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.80926672
Mol273,Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1,2.487877603
Mol274,Cc1ccc(-c2cn(CC3CCN(Cc4c[nH]c(C)n4)CC3)nn2)cc1,1.510451171
Mol275,Clc1ccc2c(Oc3cccnc3)ncnc2c1,1.671839052
Mol276,CC(C)(C)c1csc(NC(=O)C2CC2)n1,1.949546129
Mol277,Cc1ccc(C(=O)Nc2ncccc2C)s1,1.53879987
Mol278,CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCOC2=O)CC1,1.027920136
Mol279,COc1ccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)cc1,2.945827395
Mol280,O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1,3.584599974
Mol281,O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1,2.802245411
Mol282,O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12,3.061235655
Mol283,CN(CC(=O)NC1(C#N)CCCCC1)c1cccc(C#N)c1,2.845618261
Mol284,Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1,2.702888717
Mol285,CN(CCC1CCCCC1)C(=O)c1ccon1,2.987719878
Mol286,CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1,2.180696337
Mol287,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12,2.32151351
Mol288,COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O,2.397159315
Mol289,O=C(O)c1ccc(N2CCCC2)c(F)c1,1.159867847
Mol290,Cc1cc(C)cc(Oc2cc(C#N)ccn2)c1,2.330279811
Mol291,Cc1cc(NC(=O)C2CCOCC2)sn1,1.027920136
Mol292,O=C(CC1CCNCC1)NCCc1ccccc1F,1.341157437
Mol293,N#Cc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1,1.828569678
Mol294,N#Cc1cccc(CN2CCC=C(CNC(=O)c3cccs3)C2)c1,2.645033982
Mol295,CON(C)C(=O)c1cc(C)ccc1NS(C)(=O)=O,1.027920136
Mol296,C#CCN1CCC(c2nc(Cc3noc(C)n3)no2)CC1,1.10710817
Mol297,Cc1ccc(Cn2nccc2NC(=O)c2ccncc2)o1,2.330279811
Mol298,NC(=O)Cn1cc(-c2ccc(F)cc2)cn1,1.027920136
Mol299,CCN(C(=O)CN1CCNC(=O)C1)c1ccc(F)cc1,1.027920136
Mol300,Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1,2.808265003
Mol301,CN(C)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O,1.487166667
Mol302,N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1,1.027920136
Mol303,CNC(=O)Cc1csc(-c2ccc(C)cc2)n1,3.002748188
Mol304,COc1ccccc1CNC(=O)C(C)N1CCCN(c2ccccc2C#N)CC1,3.604436451
Mol305,CON(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1,2.537113581
Mol306,CCN(CC)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1,2.71229522
Mol307,N#CCCN(c1ncnc2sccc12)C1CC1,2.364156856
Mol308,Cc1ccc2nc3c(c(C(=O)NCc4nnc5n4CCC5)c2c1)CCCC3,1.458954957
Mol309,O=c1n(CCc2ccncc2)nnn1-c1ccccc1,1.814254257
Mol310,CCCCOc1ccc(C(=O)NCc2cc(C)on2)cc1,2.624314074
Mol311,COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1,1.655196081
Mol312,COc1ccc(Cc2ncnn2-c2ccc3c(c2)OCO3)c(OC)c1,3.482677107
Mol313,O=c1[nH]nc(CCCN2CCOCC2)n1-c1cccc(Cl)c1,1.449061647
Mol314,Nc1cncc(-c2ccc(CN3CCCCC3)cc2)c1,1.750816843
Mol315,O=C(CN1CCCC(c2ccc3cn[nH]c3n2)C1)N1CCCC1,2.527646654
Mol316,COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CNCC[C@H]3O[C@@H]21,1.711992713
Mol317,CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCNC[C@@H]3C[C@H]21,2.010800125
Mol318,CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1,3.02332367
Mol319,CCn1nc(C2CCCC2)nc1-c1ccncc1,2.567680258
Mol320,O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1,3.563233491
Mol321,CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1,2.08385006
Mol322,CC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cn2)CC1,1.402398959
Mol323,COc1ccc(-n2c(Cn3cnc(C#N)n3)nc3ccccc32)cc1,2.821992756
Mol324,CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,2.04821644
Mol325,Cc1nc(NCc2scnc2C)n(C)n1,1.027920136
Mol326,CCn1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)cn1,2.27343882
Mol327,CCCn1nccc1NC(=O)c1c(C)noc1C,1.027920136
Mol328,CCc1cc2c(N(C)CCO)ncnc2s1,2.142730385
Mol329,c1cnc(N2CCC(Cc3ccncc3)CC2)nc1,2.164120773
Mol330,Cc1cc(C)n(CCNC(=O)NC2CCOCC2)n1,1.027920136
Mol331,CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1,1.849259672
Mol332,CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1,1.364475949
Mol333,Cc1ccc(CNC/C=C/c2ccccc2)cn1,2.61324333
Mol334,CC(C)(C)n1ncc(OCc2ccc(OCCOCCO)nc2)c(Cl)c1=O,1.94509913
Mol335,CC(=O)Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1,2.641757598
Mol336,CCCNC(=O)C1(Cc2ccccn2)CCOCC1,1.027920136
Mol337,CC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1,1.883030825
Mol338,CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)cn1,1.057932227
Mol339,O=C(c1ccc2[nH]ccc2c1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1,2.756505268
Mol340,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,2.177972019
Mol341,Cc1cc(Nc2ccc3c(c2)oc(=O)n3C)nc(C2CC2)n1,2.201683828
Mol342,O=C(Cc1c(F)cccc1Cl)Nc1cccc2cnccc12,2.458865888
Mol343,CCc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1,1.539414867
Mol344,CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\O)[nH]2)cc1,2.232536175
Mol345,O=C(NCc1ccc(-n2cncn2)nc1)c1csc2c1CCCC2,2.293210028
Mol346,Cc1sc2ncnc(OCC(=O)NC3CCCCC3)c2c1C,2.576675294
Mol347,Cc1nc(C(C)C)sc1C(=O)Nc1nc(C(C)(C)C)cs1,2.600216849
Mol348,CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)c1C,3.172363536
Mol349,Cc1cc(C)n2ncc(C(=O)Nc3cccc(C(=O)O)c3)c2n1,1.027920136
Mol350,Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1,3.402485094
Mol351,Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(NC2CCCC2)n1,1.958625989
Mol352,CCC(CC)NC(=O)c1ccc2ncsc2c1,1.311287539
Mol353,O=C1CNC(=O)N1CCCN1CCc2sccc2C1,1.456563395
Mol354,CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)O,1.594237812
Mol355,Cc1nc(CCN2C(=O)NC(C)(C)C2=O)cs1,1.336939794
Mol356,COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,1.593894982
Mol357,c1ccc(OCc2cc(CC3(NCc4cnc5ccccc5c4)COC3)no2)cc1,3.102772502
Mol358,Cc1nn(C)cc1CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3,3.382335889
Mol359,CCOc1ccc(-c2csc(N)n2)cc1,2.528736778
Mol360,CN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4cccs4)n3)C2)c1,3.559495825
Mol361,CNc1ncc(-c2nc(C3(c4ccccc4)CC3)nn2C(C)(C)C)cn1,2.943585026
Mol362,N#Cc1ccc(OCCn2cccn2)cc1,1.027920136
Mol363,OC[C@@H](c1ccccc1)n1cc(CCc2ccccc2)nn1,2.84132818
Mol364,CC(C)CC(=O)Nc1cccnc1N(C)C,1.762746065
Mol365,Cc1nccc(-c2cccc(-n3ccnc3C(C)C)c2)n1,2.698558098
Mol366,CN(Cc1cnn(C)c1)c1ncnc2c1oc1ccccc12,2.703378228
Mol367,Cc1cccc(NC(=O)c2cccnc2N2CCCCC2)n1,3.221679168
Mol368,Clc1snnc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,3.159559373
Mol369,COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1,2.037928236
Mol370,CC(C)c1nc2c(n1C)CCN(c1ncnc3ccsc13)C2,2.753205281
Mol371,Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1,2.192308137
Mol372,c1ccc(-n2cc(CNc3ncccn3)cn2)cc1,2.258009568
Mol373,Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1,2.90539755
Mol374,O=C(NCCCn1ccnc1)N1CCC12CCC2,1.444591226
Mol375,Cc1nccc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)n1,2.025911816
Mol376,COCCc1nc(-c2cnc(C3CC3)nc2)n(Cc2ccc(F)cc2)n1,3.01474183
Mol377,O=C(NCc1nnc2c(O)nccn12)C1CCCC1,1.027920136
Mol378,CN(C)C(=O)COc1ccc(N)c(F)c1,1.027920136
Mol379,COc1ccc(Br)c(-c2nnc(N)o2)c1,1.772439068
Mol380,CCCn1ccnc1CNc1nc2c(s1)c(C)nn2C,2.109912491
Mol381,Cc1nn(C)c2nc(N3CCN(C)C[C@@H]3c3ccccc3)sc12,2.704210593
Mol382,Cc1cn[nH]c1C1(C)CCN(Cc2cnn(C)c2)CC1,1.898319212
Mol383,Cc1nc2ccccn2c1CC(=O)NCCCSc1ccccc1,3.101632301
Mol384,COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C,3.471998625
Mol385,CCOC(=O)N1CCC(Nc2nc3ccccc3s2)CC1,2.467858104
Mol386,CCOc1ccc(-c2ccccc2NC(=O)COC)cc1,3.62353676
Mol387,Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCCC3)cc1,2.259804048
Mol388,CNC(=O)c1cnc(/C=C/c2csc(-c3cccs3)n2)s1,2.335905004
Mol389,Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1,3.5569184
Mol390,FC(F)(F)c1nc(Nc2ccc(-n3cnnn3)cc2)c2ccccc2n1,1.027920136
Mol391,CC(=O)NC1CCN(Cc2cccc(-c3cccnc3)c2)CC1,1.626494345
Mol392,Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1,1.735023717
Mol393,Cn1c(-c2ccccc2)cnc1NCc1ccccc1,3.526665909
Mol394,Cc1ccc(-c2cc(NC(=O)CN3CCOCC3)on2)cc1,1.85115435
Mol395,COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC1)CO2,2.227153696
Mol396,CCc1nnnn1Cc1noc2c1CCCC2,1.782852287
Mol397,CSCCc1nc(-c2cc(C)nc3cc(F)ccc23)n(CCO)n1,2.166385705
Mol398,CCOc1ncccc1-c1cc(Cl)ccc1O,2.815365197
Mol399,Cc1nc(NC(c2nccn2C)C2CC2)c2sccc2n1,2.504394735
Mol400,Cc1cc(C(=O)N(C)C2CCC2)n2nccc2n1,1.027920136
Mol401,CCCn1ncc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc21,2.461072127
Mol402,CC1CCC(NC(=O)c2oc3ccccc3c2CS(C)=O)CC1,2.188841335
Mol403,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)C1CCOCC1,2.72053057
Mol404,Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1,1.027920136
Mol405,CN(Cc1n[nH]c2c1CCCC2)c1nccnc1C#N,3.057485808
Mol406,COc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)[nH]n1)CC2,3.456797077
Mol407,COc1ccc(C(=O)c2ccccc2)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,3.179450387
Mol408,COc1ccc(OC)c(-c2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c1,2.330373183
Mol409,Cc1cc(C)cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1,2.430890608
Mol410,CC(C)CC(=O)NCC(=O)N1CCCC1,1.027920136
Mol411,Cc1nnc(N2CC[C@H](O)C2)c(C#N)c1C,1.027920136
Mol412,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
Mol413,Cc1cccc(-c2ncc(CNCc3ccccc3-n3cccn3)cn2)c1,3.537610206
Mol414,COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12,2.034439941
Mol415,Clc1ccc(-c2ccc(CNCC3CCCO3)o2)c(Cl)c1,3.019742553
Mol416,O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1,2.220212725
Mol417,CN(C)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1,1.027920136
Mol418,NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1,3.134704191
Mol419,CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(C#N)c1,2.117890801
Mol420,CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1,1.635905772
Mol421,Cc1cc(NC2CCCC2)nc(C2CCNCC2)n1,1.395308916
Mol422,COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1,2.701906309
Mol423,Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)cc2c1,1.844868424
Mol424,Cn1cc(C2CCN(CC(=O)N3CCc4sccc4C3)CC2)cn1,2.09887206
Mol425,O=C(CCN1C(=O)CCC1=O)Nc1cccc2ncccc12,1.027920136
Mol426,CCc1ccccc1NC(=O)Cn1nc(C)cc1C,1.977476673
Mol427,O=C(Cc1ccc(Cl)cc1)NCc1ccncc1,1.555360509
Mol428,CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21,2.061022496
Mol429,O=C(Cc1cccc2ccccc12)NCc1nnc2n1-c1ccccc1CC2,3.238495478
Mol430,Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCS1(=O)=O,1.982488326
Mol431,Cc1cccnc1NC(=O)CCn1cnc2ccccc21,1.027920136
Mol432,CNC(=O)c1ccc(CN(C)c2c(F)cc(C#N)cc2F)cc1,2.375840953
Mol433,CC(C(=O)Nc1ccccc1)N1CCCN(c2nccs2)CC1,3.304632684
Mol434,O=C1CCCN1c1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)cc1,2.036225549
Mol435,Brc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)o1,1.613704432
Mol436,Cc1cc(NC(=O)CCc2cnn(C)c2)c2ccccc2n1,1.397592434
Mol437,CCc1noc(C2CCC(NCC3CCC(F)(F)CC3)CC2)n1,2.379492251
Mol438,COC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,3.685872813
Mol439,CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC,2.562956293
Mol440,COc1ccc(F)c(CN2CCC(Cc3noc(C)n3)CC2)c1,2.420097738
Mol441,Cc1ccc(C)c(-n2c(S)nnc2-c2ccc(O)cc2)c1,2.214541855
Mol442,CCN1CCC(Nc2ncnc3c2cnn3C)CC1,1.340265601
Mol443,CN(CC1CCCC1)C(=O)Nc1ccccc1N1CCOC1=O,2.73292906
Mol444,Cc1nccn1CCNC(=O)C(C)(C)C,1.027920136
Mol445,O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1,3.289148638
Mol446,CC(C)(C)c1csc(CCNC(=O)N2CCSCC2)n1,2.980318405
Mol447,CS(=O)(=O)CCNc1ccc2ccc(F)cc2n1,1.883161567
Mol448,COc1cccc(NC(=O)CNc2cccc(-c3ccnc(C)n3)c2)c1,2.398681151
Mol449,O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1,3.468993564
Mol450,Cn1ncc2cc(-c3ccnc4[nH]ccc34)ccc21,2.838213549
Mol451,COc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccc(Cl)cc1,1.872097974
Mol452,O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1,1.027920136
Mol453,CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1,1.650822153
Mol454,O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(F)c(F)cc21,3.295658567
Mol455,Cn1ccnc1CCNC(=O)c1cccc2cccnc12,2.175720503
Mol456,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,1.368621544
Mol457,Cc1nn(C)c(C)c1CCC(=O)N1CCCc2ncccc21,2.652671722
Mol458,Nc1nc2ccccc2n1CCCc1ccccc1,2.665882922
Mol459,Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1,3.401049172
Mol460,CC(=O)NC1(C(=O)N2CCCN(C3CC3)CC2)CCC(C)CC1,1.907669281
Mol461,O=C(c1cccc(CNc2ccc3nccnc3n2)c1)N1CCCCC1,2.162877917
Mol462,CC(C)CN(c1ncnc2c1cnn2C)C1CC1,2.538211671
Mol463,O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1,3.630252291
Mol464,Cc1ccc(-c2ccc(-c3nccn3CCCn3cnnc3)o2)cc1,2.732886485
Mol465,CCc1cc(NCc2cccc(OCCOC)c2)ncn1,2.169906505
Mol466,Cn1ccnc1CN1CCN(Cc2ccc(F)cc2C#N)CC1,2.64966289
Mol467,Cn1c(=O)n(Cc2cccc(OC(F)F)c2)c2cnccc21,2.32059697
Mol468,CC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1,1.027920136
Mol469,CCOC(=O)CNC(=O)c1ccc(O)cc1O,2.05592086
Mol470,N#CC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCCC1,2.906020253
Mol471,N#Cc1cccnc1NCCc1cn2c(n1)CCCC2,3.387243316
Mol472,CN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1,3.697944903
Mol473,O=C(CC1CCN(c2ncc(Cl)cn2)CC1)N1CCOCC1,1.671108018
Mol474,Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C,3.295722319
Mol475,Cc1cc2cc(C(=O)N(C)CCC(=O)O)oc2cc1C,1.027920136
Mol476,Cc1ccncc1-c1ccc(-c2ccn[nH]2)cc1,1.818120277
Mol477,CN(CC1(O)CCCC1)c1ncccn1,2.120001074
Mol478,CCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1,1.299572667
Mol479,Cc1cc(-c2nnc3ccc4ccccc4n23)n(C)n1,1.307816827
Mol480,Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)CCO4)cc12,1.683101096
Mol481,CN(C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O,2.081919508
Mol482,Clc1ccc(NCc2ccoc2)nn1,1.027920136
Mol483,CCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,2.421750312
Mol484,CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,1.17350677
Mol485,CN(C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1,2.079155911
Mol486,CCc1noc(CN2CCCN(C(C)=O)c3ccccc32)n1,2.931718674
Mol487,Cn1ccc(CN2C(=O)c3ccccc3C2=O)cc1=O,1.082390378
Mol488,Cc1nc(Cn2ncc3ccccc3c2=O)cs1,2.010897548
Mol489,Cc1ncccc1CNc1nnc(C(C)(C)C)s1,1.284566077
Mol490,Cc1ncc2c(n1)CN(CCCc1nc3ccccc3o1)CC2,2.489812285
Mol491,COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1,2.714752111
Mol492,Cc1ccnc(-n2nccc2NC(=O)N2CCCN(C)CC2)c1,2.229090267
Mol493,O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCO4,1.459543258
Mol494,Cc1nc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2s1,1.585065737
Mol495,CCOc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cn1,2.025297671
Mol496,Cc1nc(O)cc(C2CCN(c3cnccn3)CC2)n1,1.304081029
Mol497,COc1ccc(-c2c(C)n[nH]c2C)cn1,1.717878449
Mol498,CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(Cc4cccs4)C3)c2n1,2.99962113
Mol499,O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2,2.675676628
Mol500,Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1,2.826104619
Mol501,CC(C)C[C@@H](C(N)=O)n1ccnc1-c1cccc2ccccc12,3.149882061
Mol502,Cc1nc(Cl)cc(Nc2cnn(C(C)(C)C)c2)n1,1.329967073
Mol503,CCc1ccc2nc(C)cc(C(=O)N3CC(c4cccnc4)C3)c2c1,2.81682505
Mol504,CC(C)(C)CC(=O)N1CCC(OCCCN)CC1,1.027920136
Mol505,CC(C)NC(=O)Cn1nnnc1C(C)(C)C,1.433481808
Mol506,CCn1nc(Cc2ccc(OC)cc2)nc1Cc1sc(C)nc1C,2.366940067
Mol507,CCONC(=O)c1cncn1-c1ccc(F)cc1,1.027920136
Mol508,O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCCc2ccccc21,3.223718093
Mol509,Cc1ccccc1OCCn1c(N)nc2ccccc21,3.245500083
Mol510,Cc1cccc(OC2CCN(CC(N)=O)CC2)c1,1.827317568
Mol511,Clc1cccc(-c2nnc(Cn3cnc4ccccc43)o2)c1,2.086188927
Mol512,COc1cc(F)ccc1-c1ncccc1NC(=O)C(C)C,1.410321618
Mol513,CCCN(C(=O)c1c(CC)noc1C)C1Cc2ccccc2C1,3.37586837
Mol514,O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,2.647924522
Mol515,O=C(NCCN1C(=O)CSC1=O)c1cc(Cl)c2c(c1)OCO2,1.919015298
Mol516,CCc1ccc(-c2nccn2Cc2c(C)nn(CC)c2C)o1,3.480109321
Mol517,COc1ccc(Nc2ncnc3sccc23)c(OC)c1,2.781696508
Mol518,Cc1cccc(C(=O)NCC#Cc2ccccc2)n1,2.745873128
Mol519,CN(CCc1ccccn1)c1cnc2ccccc2n1,2.935338453
Mol520,Cc1ccc(Cn2nc(C)c(C(N)=O)c2Cl)cc1,2.554136493
Mol521,O=c1cc(CN2CCCCc3ccccc32)[nH]c2ccnn12,2.682066517
Mol522,O=C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1,1.820017453
Mol523,O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F,2.641752644
Mol524,CC(C)CC(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)NC(C)C)CC1,2.841433307
Mol525,Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)nc2c1,2.987411064
Mol526,Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1,2.897800774
Mol527,O=C(CSC1CCCC1)N1CCC(Cn2cccn2)CC1,2.873401407
Mol528,CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ncccn4)CC3)ccc2c1N,2.047259287
Mol529,CSc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1,2.78597368
Mol530,Cc1ccc([C@@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1,2.179913553
Mol531,Cc1nc2cc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)ccc2o1,3.04518093
Mol532,O=C(NCCc1ccc2c(c1)OCO2)N1CCc2sccc2C1,3.095081786
Mol533,COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1,1.658354878
Mol534,N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1,2.109244346
Mol535,Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1,2.701628419
Mol536,CN(CCN1CCOC1=O)C(=O)c1cc2cc(Br)ccc2o1,2.031275125
Mol537,CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,1.41575771
Mol538,CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1,1.35987341
Mol539,CCSCc1nc(N)c2ccccc2n1,2.081602912
Mol540,CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COc2ccccc2)CC1,3.027395685
Mol541,O=C(C1CCC1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1,3.438004091
Mol542,CC(C)C(=O)Nc1ncn(Cc2cccnc2)n1,1.027920136
Mol543,Cc1csc(NC(=O)CCc2ccncc2)n1,1.656059852
Mol544,CSc1cccc(-c2ccccc2-c2nnc(C)o2)c1,3.391068553
Mol545,O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(n2cccc2)CC1,2.437874177
Mol546,Nc1ccc2[nH]c(CCc3ccccc3)nc2c1,1.459422646
Mol547,Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C,2.921989596
Mol548,COc1ccc2nc(CN3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1,2.800172495
Mol549,Fc1ccccc1CN1CCN(c2ncccn2)CC1,2.902895597
Mol550,CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(O)nc1,1.027920136
Mol551,O=C(c1noc2c1CCCC2)N1CCN(c2ncccn2)CC1,3.464581643
Mol552,CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N,3.613144912
Mol553,CC1(C)O[C@@](C)([C@H]2CC3(CCNCC3)CO2)CC[C@@H]1O,1.027920136
Mol554,CC1(C)CN(CC(=O)NCC#N)c2cccc(Cl)c21,2.64729395
Mol555,Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Br,1.989467616
Mol556,Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(C)(C)O)n1,1.027920136
Mol557,Cc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1,2.407188583
Mol558,CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1,1.027920136
Mol559,Cc1cccnc1CNc1ccc(C#N)cc1F,2.207171016
Mol560,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,2.854780773
Mol561,Cn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1,1.449940989
Mol562,O=C(Nc1ccc(F)cc1F)N1CCn2c1nc1ccccc12,1.954719971
Mol563,O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)N1CCOCC1,1.027920136
Mol564,C[C@@H](CO)Nc1nc(C(F)(F)F)nc2[nH]cnc12,1.027920136
Mol565,CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1,1.300552009
Mol566,COCc1ccccc1CNc1ccc2cc(C#N)ccc2n1,2.632489686
Mol567,Cc1csc(CN(C)c2ccnc(N(C)C)n2)n1,2.737356467
Mol568,Cn1cc(C#N)cc1-c1nc(C2CC2)nn1CCc1ccccc1,3.271445916
Mol569,Nc1nnc(-c2ccc3c(c2)OCCO3)o1,1.788309812
Mol570,N#CCCCN1CCN(c2cc(C#N)ccn2)CC1,2.255197704
Mol571,CCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2,2.949836759
Mol572,CC(C)Cn1cnc2c1c(=O)[nH]c(=O)n2CC(C)C,1.868850077
Mol573,CCn1ccc2cc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)ccc21,2.415362368
Mol574,Cn1cc(-c2nnc(NCc3ccc4ccccc4c3)o2)cn1,1.665796678
Mol575,Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)CC1,1.156458285
Mol576,CCc1c(N)cnn1-c1ccccc1C,2.217907504
Mol577,Cn1ccc(C(=O)N2CCCC(c3cccc(-c4cccc(Cl)c4)n3)C2)n1,2.825639642
Mol578,CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccccc1F,3.254931209
Mol579,CNC(=O)CN(C)c1cccc(F)c1C#N,1.181957861
Mol580,O=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCC1,3.3586478
Mol581,CN1C(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C(=O)C1(C)C,2.447496029
Mol582,Cc1nc(Cl)cc(Nc2ccc3c(c2)N(C)C(=O)CO3)n1,1.800428369
Mol583,COc1cc2nc(N)sc2cc1OC,1.098920479
Mol584,CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2ccccc2O)CC1,2.897525378
Mol585,COc1cc(CN2CCC(c3ccnc(C)n3)CC2)ccc1F,1.867007611
Mol586,Oc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1,1.954305236
Mol587,CNC(=O)c1cn(C)nc1CC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1,1.37794338
Mol588,Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)oc(C)c1C,2.086619618
Mol589,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,2.487220417
Mol590,COc1cccc(-c2nc(C(=O)O)cs2)c1OC,1.027920136
Mol591,COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4cncnc4)cc(C)n3)CC1)CO2,2.302226997
Mol592,Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1,2.094792451
Mol593,O=C(C(c1ccccc1)c1ccccc1)N1CCOCC(Cc2ccc3cnccc3c2)C1,2.81471827
Mol594,COc1ccc(OCC(=O)N2CCN(C)CC2)cc1,2.124425967
Mol595,CC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1,1.775544917
Mol596,Cc1cc(NC(=O)c2cccs2)no1,2.899488912
Mol597,Cc1csc(N(C(=O)c2ccc(-n3cncn3)c(F)c2)C2CC2)n1,2.333148909
Mol598,COc1c(C)cnc(CN(C)S(N)(=O)=O)c1C,1.913729104
Mol599,CCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12,1.724873637
Mol600,Cc1cc(C(=O)N(C)Cc2ccsc2)no1,2.382701283
Mol601,OCCN1CCC(c2ccncn2)CC1,1.546258799
Mol602,CN(c1ncc(Br)cn1)C1CCS(=O)CC1,1.410541048
Mol603,CCc1ncnc(N(C)Cc2ccc(N)nc2)c1F,1.645648201
Mol604,COc1ncnc2c1CN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2,2.322562459
Mol605,O=C(NCc1cc(F)cc(F)c1)c1ccccn1,1.713036691
Mol606,CN1CCC(n2ncc3[nH]c(-c4ccc5ccccc5c4)nc32)CC1,2.967422537
Mol607,O=C(Cc1ccc2c(c1)CCC2)Nc1nc2ccccc2o1,3.188676267
Mol608,Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccc(F)cc2n1,1.604139618
Mol609,COCc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccc1OC,3.039764983
Mol610,Cc1nc(C)c2c(C)c(C(=O)N(C)CCN3CCCC3)sc2n1,1.891040997
Mol611,COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12,2.625246581
Mol612,Cc1ccc2nc3c(c(C(=O)NCc4cnn(C)c4)c2c1)CCCC3,1.869654071
Mol613,Clc1cc2ncc(-n3ccnc3)nc2cc1Cl,2.127700734
Mol614,CN(Cc1ccncc1)Cc1cc2ccccc2nc1O,2.345599152
Mol615,CCC(CC)NC(=O)c1cc(C)nc2onc(C)c12,1.027920136
Mol616,CCCN(C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,1.647901076
Mol617,CN(CC(N)=O)Cc1cc2c(cc1Br)OCO2,2.511115652
Mol618,CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(C(F)(F)F)c1F)C2,2.37697822
Mol619,COc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1,1.667714385
Mol620,CC(C)(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1,2.159338557
Mol621,N#Cc1ccc(N2CCc3c(ncn3C3CC3)C2)nc1,1.804228055
Mol622,O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1,3.340824501
Mol623,N#Cc1cc(F)c(N2CCN(CCO)CC2)c(F)c1,1.027920136
Mol624,CC(C)c1nnc(CN2CCN(c3nccs3)CC2)o1,2.086754788
Mol625,O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1,1.419278183
Mol626,CC(=O)NCC1CCN(C(=O)c2ccc(C)nc2)CC1,1.027920136
Mol627,CC1CCN(C(=O)c2n[nH]c3ccccc23)CC1,2.96168017
Mol628,CN(Cc1cccnc1)Cc1ccc(C#N)o1,1.843039577
Mol629,Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,2.058813073
Mol630,Cc1ccc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)cn1,1.882877294
Mol631,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1,3.0467651
Mol632,Cc1ccc(F)cc1CNc1cc(C(=O)N(C)C)ccn1,2.600480634
Mol633,COCCc1nc(CCCn2cccn2)n(C2Cc3ccccc3C2)n1,2.740063318
Mol634,Cn1nc(-c2cn(Cc3ccc(CO)cc3)nn2)c2c(Cl)cccc21,2.278977548
Mol635,CC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C,1.027920136
Mol636,CSCC[C@@H](CO)n1ccnc1-c1oc2ccccc2c1C,3.301043893
Mol637,Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)O)c12,1.027920136
Mol638,CCc1nc(CC)n(Cc2nc(C)cs2)n1,1.600286626
Mol639,OCc1ccc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)cc1,2.057521569
Mol640,CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCOCC1,1.027920136
Mol641,Cc1nc(CC(=O)NCc2ccccc2)cs1,1.590696972
Mol642,O=C(Nc1ccc2c(c1)OCCCO2)c1cnn(Cc2ccccc2)c1,2.691960689
Mol643,CC(C)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1,1.715351413
Mol644,COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1,2.774065649
Mol645,CCCN(Cc1ccccc1)C(=O)CC1(N)CCC1,2.860404493
Mol646,CN(C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1,1.027920136
Mol647,Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1,3.179797018
Mol648,COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)CC1,3.0852995
Mol649,O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1I,2.120439016
Mol650,CCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1,3.396260039
Mol651,CS(=O)(=O)CCNC(=O)N1CC2(CCCC2)c2ccccc21,2.284187009
Mol652,O=C(COCC1CC1)N1CCCc2ncccc21,1.832681319
Mol653,O=C(NCc1ccc(F)cc1)c1ccc(-n2ccnc2)nc1,1.477323878
Mol654,O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1,2.663355048
Mol655,O=C(NC1CCCC1)C(=O)c1ccc2c(c1)CCC2,2.957847591
Mol656,COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1O,1.027920136
Mol657,COCc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1,2.619622305
Mol658,CN1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)C12CCCCC2,3.323269224
Mol659,Cc1ccccc1OC1CCN(C(=O)Nc2ccc3c(c2)ncn3C)CC1,1.736531949
Mol660,CC(C)c1nnc(CN2CCN(c3ccccc3Cl)CC2)o1,2.938850824
Mol661,O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)c1ccco1,2.006974917
Mol662,Cc1ccc2nc(C)c(-c3nc(C)nn3CCO)cc2c1,1.284566077
Mol663,COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1OC(C)C,2.122215878
Mol664,COCC(=O)Nc1nc(C)c(C)s1,1.852949412
Mol665,Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1,3.490840789
Mol666,CC(C)C(=O)N1CCC(Nc2ncnc3ccsc23)CC1,1.283323848
Mol667,Cc1nc(NCc2ccc(F)c(Cl)c2)n(C)n1,1.551913324
Mol668,O=C(NCc1cccc(F)c1)c1[nH]nnc1-c1ccccc1,1.241397042
Mol669,Cn1ccc2c(C(=O)Nc3ncn(Cc4cccnc4)n3)cccc21,1.490295665
Mol670,c1ccc2c(N3CCn4c(nnc4C4CC4)C3)ncnc2c1,1.027920136
Mol671,CCCC(=O)Nc1ccc(-n2cccn2)nc1,1.502577322
Mol672,CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1,2.675280542
Mol673,Cc1ccc(C)c(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1,2.110377561
Mol674,CC(=O)N1CCC(c2ccccn2)CC1,1.027920136
Mol675,O=C(c1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1)N1CCCC1,2.095615626
Mol676,Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1,2.488759353
Mol677,Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1,2.667588357
Mol678,O=C(CN1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,2.62188429
Mol679,COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1,3.345169574
Mol680,O=C(CN1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,3.034963171
Mol681,Cc1nc2ccccc2c(N)c1C(=O)/C=C/c1ccccc1,2.9648011
Mol682,O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccncc1,2.116690743
Mol683,CCc1ccccc1-c1cn(CCc2cnccn2)nn1,2.461999462
Mol684,O=C(NCc1ccc(F)cc1)c1ccccn1,1.3250228
Mol685,CN1CCN(CCOc2ccccc2N)CC1,2.115344196
Mol686,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1,1.974971994
Mol687,CNC(=O)CC1CCN(c2ncccn2)CC1,1.027920136
Mol688,Cc1ccc(C(=O)C(=O)Nc2c(C)nn(C)c2C)cc1,2.062220862
Mol689,CCCn1ncnc1-c1ccccc1SC,2.883842495
Mol690,O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cn1,1.691982757
Mol691,Cc1nccc(-c2cccc(NCC(=O)NCC(=O)N3CCCC3)c2)n1,1.209032197
Mol692,CC(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1,1.746696459
Mol693,O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccnc2)CC1,2.781462396
Mol694,O=C(O)CCn1c2ccccc2c2ccccc21,1.056218581
Mol695,O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,1.027920136
Mol696,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,2.397602865
Mol697,c1ccc2c(c1)CN(c1cnc3ccccc3n1)CCN2,2.797649026
Mol698,N#Cc1cccnc1NCCc1ccc(F)cc1,3.062367604
Mol699,N#CCCCN1CCC(c2c[nH]c3ccccc23)CC1,3.238583242
Mol700,CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21,1.739065768
Mol701,Cc1nn(C)c(C)c1C(=O)NCc1ccccc1,1.027920136
Mol702,CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n1,1.527023786
Mol703,Cc1nc2cc(NC(=O)Cc3c(C)nc4ccccc4c3C)ccc2o1,2.404046486
Mol704,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
Mol705,Cc1ccccc1-n1c(CC2CCN(C(=O)C3CC3)CC2)n[nH]c1=O,1.428750149
Mol706,Cn1c(CNC(=O)Cc2cccc3ccccc23)nc2ccccc21,3.20146677
Mol707,CS(=O)(=O)CCc1nc(C2(c3ccccc3)CC2)nn1-c1ccccc1,2.118403625
Mol708,Cc1nc2ncccn2c1C(=O)N(CC#Cc1ccccc1)C1CCCC1,3.667165383
Mol709,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C(=O)C3)c12,1.317290104
Mol710,O=c1[nH]c2ccccc2n1C1CCN(Cc2nnsc2Cl)CC1,2.92712748
Mol711,COc1ccc2nc(C)nc(N3CC(O)(c4ccc(F)cc4)C3)c2c1,2.670159542
Mol712,Fc1ccc(F)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,2.611558691
Mol713,c1cc(CN2CCC(c3ccn[nH]3)CC2)ccn1,1.506897209
Mol714,Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC(Cc2ncncc2C(N)=O)CC1,3.067908864
Mol715,O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2ncsc2c1,2.034443953
Mol716,c1ccc(-c2noc(NCC3CCC3)n2)cc1,2.87011057
Mol717,c1ccc(-c2n[nH]c(C3CCN(c4cnc5ccccc5n4)CC3)n2)cc1,2.056577102
Mol718,CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)CC1,2.577812232
Mol719,COc1cccc(OCCCn2cncc2-c2cc3c(cc2OC)OCCCO3)c1,2.026757912
Mol720,COc1ccc(-c2nc(CC(N)=O)sc2C)cc1.Cl,2.045510741
Mol721,O=C1NCCCCC1NC(=O)N1CCc2sccc2C1,1.671635597
Mol722,O=C(O)c1ccc(=O)n(CCc2c[nH]c3ccccc23)c1,1.027920136
Mol723,Cn1ccc(CN2CCC(c3cnccn3)CC2)n1,1.428167203
Mol724,Cc1nccn1-c1ccc(F)cc1CNC(=O)C(C)C,1.757069426
Mol725,O=C(CN1CCSC1=O)Nc1ccccc1F,1.027920136
Mol726,COc1ccc(CNCc2cccc3ccccc23)cc1,2.792058836
Mol727,O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1,2.603805599
Mol728,Cc1noc(NCc2cccc(-c3cccnc3)c2)n1,2.194960894
Mol729,CCCn1cnnc1Cn1ccnc1-c1ccc2occc2c1,1.218929185
Mol730,Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2F)nc1,2.014104526
Mol731,O=C(CCNc1ncccn1)N1CCc2ccccc2C1,2.164453981
Mol732,CN(Cc1cccc(C#N)c1)Cc1cnn(C)c1,1.027920136
Mol733,Nc1cnc(Cc2ccc(F)cc2)nc1,1.188619167
Mol734,Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C)n1,1.213358354
Mol735,Cc1ccc(F)cc1NC(=O)c1cnc2onc(C(C)C)c2c1,2.336083316
Mol736,O=C(CCCc1ccc(F)cc1)N1CCN(c2ccccc2)C(=O)C1,2.246656119
Mol737,Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)NC(C)C,2.550428939
Mol738,CC(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1,1.905758114
Mol739,CS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1,1.787956123
Mol740,Cc1cc(C)c2c(N(C)CCC(C)C)ncnc2n1,3.084600226
Mol741,CN(CC(=O)NC1CC1)C(=O)C1C2CC3CC(C2)CC1C3,2.665527522
Mol742,CCc1nnc(NC(=O)Cc2c(C)noc2C)s1,1.027920136
Mol743,CN1CCCN(c2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CC1,2.319788729
Mol744,CCn1nccc1CNc1nnc(-c2ccc(OC)cc2)o1,1.881755446
Mol745,Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1,2.016092742
Mol746,O=C1CCC(=O)N1CCN1CCCCc2ccccc21,3.167644557
Mol747,O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Oc2ccccc21,2.79148152
Mol748,O=C(NC1CCCC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,2.666326999
Mol749,O=C(Cc1ccccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,2.894272853
Mol750,CO[C@@H](C(=O)Nc1cc2c(C)cc(=O)oc2cc1C)c1ccccc1,2.408757078
Mol751,CCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,2.338910472
Mol752,O=C(Nc1nccs1)c1c2c(nc3ccccc13)CCC2,2.678676772
Mol753,CC(C)(C)c1ccc(C2=NC3(CCNCC3)NC2=O)cc1,1.775457526
Mol754,O=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1,3.149464835
Mol755,O=C(CCCc1cc(Cl)sc1Cl)N1CCC(O)CC1,2.869850442
Mol756,Cc1cc(C)n(-c2ccc(CNC(=O)C3CCC3)cn2)n1,2.756963037
Mol757,CN1CCC(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1,1.027920136
Mol758,O=C(NCc1ccc2c(c1)OCCO2)c1sccc1C1CC1,3.36540093
Mol759,NC(=O)CN1CCC(Oc2cccc(F)c2)CC1,1.854700676
Mol760,O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1,2.830240837
Mol761,COc1ccc(-c2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)[nH]c2C(N)=O)cc1,1.59601398
Mol762,CCn1c(SC)nnc1C1CCN(C)CC1,1.027920136
Mol763,CC(=O)N1CCN(CCNC(=O)N2CCc3sccc3C2)CC1,1.870163865
Mol764,CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1,2.89352708
Mol765,Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccccc2)CC1,2.324414164
Mol766,O=C(Nc1ccccc1-n1ccnc1)c1cccs1,1.593784333
Mol767,Cc1nc2c(c(N(C)Cc3ccccc3)n1)CCN(Cc1ccccc1)C2,3.619866751
Mol768,CSc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@H]3C2)cc1,1.284769013
Mol769,Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(S(=O)(=O)C(C)C)CC1,1.153387979
Mol770,COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1OC,1.027920136
Mol771,CCN(C(C)=O)c1ccc(C)cc1C(=O)O,1.027920136
Mol772,CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2,2.413735517
Mol773,CON(C)C(=O)c1cccc2c(C)c(C)[nH]c12,2.291526465
Mol774,CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12,2.714295384
Mol775,O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1,2.003908383
Mol776,N#Cc1ccccc1-c1ccc(-c2nccn2-c2cccnc2)o1,2.856567586
Mol777,Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)no1,2.108632666
Mol778,COCCNC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1,2.547935844
Mol779,Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)no1,1.652922888
Mol780,CCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21,2.298595479
Mol781,CCc1nnsc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,2.1507902
Mol782,OC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1,1.027920136
Mol783,CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc(C(N)=O)c1,1.629715333
Mol784,CSc1ncccc1C(=O)Nc1ccc(N2CCCCC2=O)cc1,1.251516552
Mol785,CCC1(CC)NC(=O)N(CC(=O)N2CCOCC3(CCCC3)C2)C1=O,2.336153418
Mol786,O=C(Cc1ccc(Cl)c(Cl)c1)N1CC(n2ccnn2)C1,1.714052997
Mol787,Cc1oc(C)c(C(=O)Nc2ccn(C)n2)c1C,1.971651518
Mol788,CN(C)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cn1,2.565557405
Mol789,Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc(C)o3)sc2n1,3.460262467
Mol790,Cc1cccn(Cc2cccc(C#N)c2)c1=O,1.459844642
Mol791,Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1,1.541416977
Mol792,Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCCC1,1.027920136
Mol793,CC(C)(O)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1,1.843743412
Mol794,CCCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)n2ncnc2n1,2.261824114
Mol795,CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2ccnc2)nc1,3.220411988
Mol796,Cc1sc(NC(=O)CN2CCOC(C3CCCO3)C2)c(C)c1C,2.267669121
Mol797,Cn1ccnc1CNc1cc(Br)ccc1-n1cccn1,2.463495823
Mol798,O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(-c3ccccc3)cccc12,2.564489707
Mol799,O=C(NCCNc1ncccc1C(F)(F)F)c1cnc2ccccn2c1=O,2.767166259
Mol800,O=C(Nc1nncs1)c1cccnc1,1.027920136
Mol801,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c12,1.027920136
Mol802,Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)[C@H]1CCCO1)CCC2,2.575941431
Mol803,Fc1ccc(F)c(-c2nc(C3CCOCC3)nn2-c2cccnc2)c1,1.862375899
Mol804,Cc1nc([C@H]2CC[C@H](CNC(=O)CN3CCC(c4ccccc4)CC3)CC2)ccc1C(N)=O,2.590620063
Mol805,O=C(NC1(c2ccccc2)CCC1)c1cc(C2CC2)on1,2.283452753
Mol806,CN(Cc1nnc(C2CC2)n1C)C(=O)C1C2CC3CC(C2)CC1C3,2.97812891
Mol807,CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(F)cc1F,3.294209101
Mol808,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,2.26011911
Mol809,COc1ccc(CCn2c(C3CC3)n[nH]c2=O)cc1,2.563022817
Mol810,Cn1c(=O)n(C)c2cc(CN3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)ccc21,2.033885953
Mol811,O=C(NC1CC1)c1cccnc1Oc1ccccc1,1.06807449
Mol812,N#Cc1ccc(CN2CC(n3cccn3)C2)cc1,1.316138156
Mol813,NC(=O)Cn1ccc(-c2ccccc2)n1,1.027920136
Mol814,COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)cc1,1.880859305
Mol815,Cc1cccc(NC(=O)c2cccc3ncccc23)c1,2.189032477
Mol816,CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O,2.557970122
Mol817,O=C(O)CNc1nc(-c2ccccc2)nc2ccccc12,1.467815215
Mol818,COCCS(=O)(=O)N1CCC2(Cc3ccccc3C2)C1,2.950686561
Mol819,Cc1cnn(Cc2nnc(-c3ccccc3)s2)c1,2.652164117
Mol820,Cc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1,2.516203412
Mol821,O=C(NCC1CCC1)c1ccc(-n2ccnc2)nn1,1.701403906
Mol822,CC1(c2nnc(-c3cc(-c4ccccc4)n[nH]3)o2)CCOCC1,2.252770531
Mol823,COc1ccc2nc(C)c(C(=O)Nc3ccccc3N3CCCC3)cc2c1,2.993340984
Mol824,Cc1nnsc1CN(C)c1ccc2cc[nH]c2n1,2.533792388
Mol825,Cn1cnnc1CNc1ccccc1C#N,1.027920136
Mol826,O=C(c1ccc(O)nc1)N1CCN(c2ncccn2)CC1,1.027920136
Mol827,COc1ccc(NC(=O)c2snnc2C)c(OC)c1,2.259519818
Mol828,Cc1ccc(F)c(N(C#N)Cc2nccn2C(F)F)c1,2.351605005
Mol829,CC(=O)N1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1,2.965628728
Mol830,O=S(=O)(c1cn[nH]c1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,2.59522167
Mol831,CN(C)c1ncn(-c2cccc(N)c2)n1,1.404611383
Mol832,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,2.847664567
Mol833,c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1,3.190827911
Mol834,C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cccnc2)CC1,2.746224617
Mol835,Cc1ccc(-c2nc(CN3CCOCC3)n(Cc3ccc(F)cc3)n2)o1,3.144640514
Mol836,COCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1,1.027920136
Mol837,CCC1(O)CN(c2ncnc3c2c(Br)nn3C)C1,1.546530325
Mol838,Cc1cccc(NC(=O)c2ccc3ccccc3c2)n1,2.320545072
Mol839,c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,2.218149352
Mol840,O=C(Nc1cccc(-c2cnco2)c1)C1(c2cccc(F)c2)CCOCC1,2.409268499
Mol841,CC(=O)NCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1,1.467030635
Mol842,Cn1cc(CCNC(=O)N2CCc3sccc3C2)cn1,1.834827466
Mol843,Cc1cc(CCCC(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)ccc1F,2.90742426
Mol844,COC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,2.19830236
Mol845,Cc1cccc(Oc2cc(CN)ccn2)c1C,2.721654835
Mol846,CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,2.150962029
Mol847,Cc1ccc2c(CC(=O)N(C)Cc3nnc4n3CCC4)coc2c1C,2.813301376
Mol848,CC(C)(C)c1nnnn1CC(=O)NC12CC3CC(CC(C3)C1)C2,2.714415269
Mol849,O=C(O)c1ccccc1-n1cnc(CN2CCCC2)c1,1.027920136
Mol850,COc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1,2.533486077
Mol851,Cc1cc(C)c(CC(=O)N2CC(CO)C2)c(C)c1,1.192316505
Mol852,CC(C)C[C@@H](CO)n1cc(-c2ccccc2Cn2cccn2)nn1,2.709698107
Mol853,Cc1sc2nc(CN3CCCC3)nc(N)c2c1C,3.440757997
Mol854,CC(C)c1nc2c(n1C)CCN(c1ncnc3ccccc13)C2,2.6042509
Mol855,Cc1nn(CCC#N)c(C)c1Oc1ccccc1O,2.048748576
Mol856,OC1(Cn2nnc(-c3cccnc3)n2)CCCCC1,2.151700732
Mol857,Cc1cc(C(=O)NCCc2ccccn2)c(C)s1,2.365796748
Mol858,Nc1ccc(Oc2ccccc2F)nc1,1.417604535
Mol859,Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21,2.508423321
Mol860,Cc1nc(CN2C(=O)CN(C3CCCC3)C2=O)nc2ccccc12,2.91532859
Mol861,CCOC(=O)c1cccnc1-c1cccc2ccnn12,1.903442708
Mol862,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)Nc3ccccc3)C1)CC2,1.813761073
Mol863,NC(=O)c1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,2.917721815
Mol864,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2,3.085767077
Mol865,O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,3.650157389
Mol866,CCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,3.004767908
Mol867,O=C(CN1CCCC(c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1,2.695767901
Mol868,CC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCCC(c2nc3ccccc3o2)C1,3.338218563
Mol869,Cc1ccc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)cc1C,3.41640083
Mol870,Cc1nc(O)cc(C2CN(C3CCCCC3)C2)n1,1.027920136
Mol871,CN(C(=O)C1CCN(c2ncccn2)CC1)C1CCCCCCC1,3.589768031
Mol872,CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCCCCCC2)CC1,2.932890102
Mol873,O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](O)C1,2.703739201
Mol874,COc1ccnc(N2CC(n3nc(C)cc3C)C2)n1,1.645540161
Mol875,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3F)C2)n1,2.705097036
Mol876,COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1,2.131021661
Mol877,Cc1cc(C(=O)N2CCOC(C)(C)C2)cc(C)c1OCc1cccnc1,3.337597415
Mol878,COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1,3.450356591
Mol879,Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCOCC3)C2)cc1,2.764442906
Mol880,COc1ccc(CNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1,2.80904836
Mol881,CCc1ccc(-c2nccn2CC(=O)Nc2ccc(C)cc2F)nc1,2.795620753
Mol882,Cc1cc(NC(=O)C2CCN(c3ccncc3Cl)CC2)no1,2.268631787
Mol883,Fc1cccc(CN2CCN(c3ncccn3)CC2)c1,3.048810681
Mol884,CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O,2.860846881
Mol885,CCN(Cc1ccccc1)C(=O)c1cccnc1N,2.23981482
Mol886,Cc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1,3.597022606
Mol887,CCCNC(=O)c1ccnc(N(C)C)c1,1.92171248
Mol888,O=C(NCC(=O)N1CCN(C2CC2)CC1)c1ccccc1,1.027920136
Mol889,CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,1.249442961
Mol890,CCN(C(=O)c1cc(NC(C)=O)ccc1F)C1CCCC1,3.34388635
Mol891,Cc1ccccc1C(=O)Nc1nc(C)c(C)s1,2.447708306
Mol892,CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,1.702215059
Mol893,COc1ccccc1C(=O)Nc1cccc(C#N)c1,1.908168566
Mol894,CO[C@H]1COCCN(C(=O)c2cccnc2)C1,1.027920136
Mol895,CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1,1.027920136
Mol896,Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1,2.188430657
Mol897,CC(C)c1nnc(NCc2ccn(C)c2)o1,1.799926107
Mol898,COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1,1.919411166
Mol899,CC(C)N1CCC(O)(c2ccccc2F)CC1,2.558468563
Mol900,CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1C#N,1.027920136
Mol901,O=C(CN1CCc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1,3.070491144
Mol902,O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccn2)CC1,2.080686
Mol903,CC1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.013243501
Mol904,Cc1ccc(NC(=O)C(C)(C)c2ccccc2)nc1,2.796398776
Mol905,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1,2.123668742
Mol906,COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N,1.379740501
Mol907,CC(C)(C(=O)NCc1ccccn1)c1ccccc1,2.139107371
Mol908,O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1,1.605778955
Mol909,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2cccs2)cc1,1.027920136
Mol910,CC(C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1,3.626562181
Mol911,COc1ccc(C(=O)N(C)Cc2nccn2C)c(F)c1,1.730426945
Mol912,CC(C)CN1C(=O)C(=O)N(Cc2ccccn2)C1=O,1.453944862
Mol913,CON(C)C(=O)CCc1c(C)nn(C)c1C,1.451279719
Mol914,CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1,2.684593146
Mol915,O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCCCC1,1.966859486
Mol916,COc1ccc(C)cc1-c1cccnc1O,1.423180315
Mol917,N#Cc1cccc(-c2ccc3[nH]ccc3c2)n1,2.817485378
Mol918,Cc1ccc(-c2noc3nc(C)cc(C(=O)O)c23)cc1,1.027920136
Mol919,O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1,1.027920136
Mol920,O=C(c1cccs1)N1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1,2.177813437
Mol921,COc1ccc(C)cc1-n1ccc(C(=O)NC(C)C)n1,2.524216914
Mol922,CC(C)c1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1,2.427534794
Mol923,CN1CCN(C(=O)C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCC2)CC1,1.027920136
Mol924,CN(CCc1ccccn1)C(=O)Nc1nncs1,1.027920136
Mol925,CC1CCN(Cc2ccc(NC(=O)c3ccccn3)cc2)CC1,1.208763733
Mol926,COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1,3.202609543
Mol927,O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,2.008417048
Mol928,CN(C)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1,1.839905218
Mol929,Cc1cccc(NC(=O)CN(C)c2ncccc2F)n1,2.606319011
Mol930,CCN(CC)C(=O)c1ccc(NC(C)=O)cc1,1.409070438
Mol931,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,1.764766252
Mol932,Cc1ccc(C)c(S(=O)(=O)N2CCCN(CCn3cccn3)CC2)c1,3.304158864
Mol933,CCOCC(=O)N1CCC2(CCc3ccccc3O2)CC1,2.912676313
Mol934,CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1,2.946536266
Mol935,CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1,2.654183283
Mol936,CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1,3.31341266
Mol937,Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)n1,3.388510958
Mol938,Fc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1,2.447650986
Mol939,Cc1ccccc1-n1nc(C(C)(C)C)cc1N,1.027920136
Mol940,COc1cccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1,2.799777382
Mol941,Cc1cccn(Cc2cccnc2)c1=O,1.027920136
Mol942,c1nc(NC2CCN(C3CC3)CC2)c2sccc2n1,1.906157193
Mol943,Cc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1,2.502889848
Mol944,O=C(NCc1nncn1-c1ccccc1)C1CCCC1,1.087568476
Mol945,Cc1nccn1CCCN1C(=O)SC(C)(C)C1=O,1.919046696
Mol946,Cc1ccc(-c2ccccc2-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)o1,1.999973942
Mol947,Cc1ccc(C)c2c(O)cc(CN3CC(c4ccccn4)C3)nc12,3.021670479
Mol948,COCc1nc(-c2cc(F)ccc2F)c(C)s1,2.628320459
Mol949,Cn1ncc2c(Oc3cccc(C(C)(C)C)c3)ncnc21,2.667123137
Mol950,COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1,3.09247396
Mol951,N#Cc1ccccc1Cn1nnc(-c2ccccc2)n1,2.324819331
Mol952,Cc1cccn(Cc2ccccc2F)c1=O,1.783167226
Mol953,N#CCCN(C(=O)c1sccc1C#N)C12CC3CC(CC(C3)C1)C2,3.203705577
Mol954,CN(Cc1ccccn1)c1nc2ccccc2o1,2.557217174
Mol955,O=C(NCC#CCN1CCc2ccccc2C1)NCc1ccc(F)cc1,2.736404471
Mol956,Cc1ccc(C(=O)NCC#Cc2ccccc2)cn1,1.274134748
Mol957,COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3cnccn23)cc1,3.289164929
Mol958,Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1,2.247907013
Mol959,CCCCN(C)C(=O)Nc1cc(C)ccn1,2.353716244
Mol960,Cn1cncc1CCNC(=O)[C@H]1CC1(C)C,1.027920136
Mol961,CC(C)(C)C(=O)N1CCC(NS(C)(=O)=O)CC1,1.027920136
Mol962,CC1(C)Cc2cc(CN3CCC4(CC3)NC(=O)N(Cc3ccccc3)C4=O)ccc2O1,2.468611667
Mol963,Cc1oc(C)c(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1C,3.763435781
Mol964,c1ccc(CCc2n[nH]c(-c3cccc4cnccc34)n2)cc1,2.646264494
Mol965,COc1cc2cc(N)c(C3CCN(C(=O)C(C)(C)C)CC3)nc2cc1OC,1.63856912
Mol966,Nc1nncc(-c2ccccc2OC(F)F)n1,1.027920136
Mol967,Cc1cccc(C(=O)N(C)CCc2cnccn2)c1,2.150455552
Mol968,O=C(C1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1,1.720804062
Mol969,O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1,2.824888272
Mol970,CC1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1,2.498096801
Mol971,CNC(=O)Cn1ccc2cc(OC)ccc21,1.999652425
Mol972,C#CCNC(=O)c1cc(C(C)C)nn1CC,1.094610863
Mol973,CCOC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1,2.595324234
Mol974,Cc1cccc2sc(NC(=O)C(C)(C)C)nc12,2.31700345
Mol975,Cc1cccc(NC(=O)c2ccccc2-c2ccccc2)n1,2.836297525
Mol976,Cc1nc(N2CCc3c(ncn3C)C2)c2c(C)c(C)sc2n1,2.816373226
Mol977,Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1,1.688019161
Mol978,Cc1c(C(=O)NC2CCN(CC3CCCCC3)CC2)cnn1C,1.027920136
Mol979,COc1cc(F)c(NCC(=O)Nc2ccc(C)cc2)cc1OC,2.42911571
Mol980,CC(=O)N1CCC(C(=O)Nc2nccs2)(c2ccccc2)CC1,2.372663501
Mol981,O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1,3.399066496
Mol982,O=C(NCC1=CCCN(Cc2cc(F)ccc2Cl)C1)c1ccco1,3.214697381
Mol983,c1ccc(Cc2nnc(NC3CCOCC3)s2)cc1,1.313846138
Mol984,Cc1ccc(CCNC(=O)c2ccncc2)o1,1.718402031
Mol985,CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1,2.172588338
Mol986,NC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,2.131159751
Mol987,O=C(CCc1cc2ccccc2o1)N1CCN(c2cnccn2)CC1,2.696762531
Mol988,COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1,3.247109216
Mol989,CC1(C)COCCN1Cc1cnn(-c2ccccc2)n1,3.02917754
Mol990,CN(CC(=O)Nc1ccncc1)C1CCCC1,2.594630077
Mol991,CCn1cc(NC(=O)c2ccccc2C)cn1,1.027920136
Mol992,CC(C)[C@H](Nc1ncc(Cl)cn1)C(=O)N1CCCC1,2.256563816
Mol993,Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccncc4)CC3)c2c1C,2.448822219
Mol994,COc1ccccc1-c1nn(-c2ccccc2)cc1CO,2.57334512
Mol995,CCc1nc(CN2C(=O)COc3ccc(F)cc32)cs1,3.096984358
Mol996,CCCCn1nc(-c2ccc(C)o2)nc1CNC,2.37857776
Mol997,CC(=O)NCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1,2.742940262
Mol998,NCc1cccnc1OCc1ccccc1,2.873106018
Mol999,Fc1ccc(-n2nc(C3CCOCC3)nc2-c2cn[nH]c2)c(F)c1,1.79698346
Mol1000,CC(C)(C)c1nc(Cn2nnc3ccccc3c2=O)no1,2.076582194
Mol1001,O=C(CN1CCOC(c2ccc(F)cc2)C1)Nc1ccccc1OC(F)F,2.753110976
Mol1002,COc1ccc(NC(=O)C(C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,3.286232753
Mol1003,Cc1ccc(C(=O)N(C)C)cc1NS(C)(=O)=O,1.027920136
Mol1004,CS(=O)(=O)N1CC(c2n[nH]c3ncccc23)C1,1.027920136
Mol1005,CN1C(=O)COc2ccc(NC(=O)CCN3C(=O)COc4ccc(Cl)cc43)cc21,3.066508924
Mol1006,N=C(N)N/N=C/c1c(Cl)cccc1Cl,1.886518925
Mol1007,CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O,1.95240494
Mol1008,Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1,2.020609853
Mol1009,O=C1N=C2C=CC=CN2C12Cc1ccccc1C2,1.027920136
Mol1010,c1cc2cc[nH]c2c(CC2CN(C3CCCC3)C2)n1,1.905558437
Mol1011,COc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1,2.504792896
Mol1012,Cc1n[nH]c(C)c1Cc1ccc(NCCC(C)C)cc1,2.684802289
Mol1013,N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1,1.746688677
Mol1014,O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCCO4,1.027920136
Mol1015,CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCCC3)C2)n1,2.039992793
Mol1016,O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCC2)C1,1.924418858
Mol1017,Cc1nnc(NCc2cccnc2)c2ccccc12,1.711326287
Mol1018,Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12,2.712478812
Mol1019,CCCCc1c(C)[nH]c2nc(N(Cc3cccs3)C(C)=O)nn2c1=O,1.908216853
Mol1020,O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)C1CCCCC1)C2,3.041562816
Mol1021,CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1,1.027920136
Mol1022,CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1,2.448144929
Mol1023,O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCC1,1.422409257
Mol1024,CNC(=O)c1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1,2.889505633
Mol1025,CN(C(=O)c1cncc(F)c1)c1cccc2ncccc12,2.128321709
Mol1026,Cc1ccc(NS(C)(=O)=O)c(C(=O)N(C)c2ccc3ccccc3c2)c1,3.042626302
Mol1027,COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1,3.07726468
Mol1028,Cc1ccc(C(=O)NCCc2csc(C)n2)cn1,1.051846838
Mol1029,O=C(NCCc1ccccc1)c1cnccn1,1.463071381
Mol1030,CN(C)C(=O)OCCN1CCC(c2c[nH]c3ncccc23)CC1,2.006089348
Mol1031,CN(Cc1ccc(Br)o1)C(=O)CN1CCCC1=O,1.222560409
Mol1032,Cc1nc(CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(NC2CCCC2)n1,3.38371001
Mol1033,N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)c1,3.301600935
Mol1034,CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1,3.180541325
Mol1035,Cc1cnc(NCc2ccccc2-n2ccnc2)nc1N(C)C,2.686881049
Mol1036,COc1ccc2ccccc2c1CNC(=O)c1cnc(C2CC2)nc1,2.645033982
Mol1037,CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccncc3)C2)cc1,2.553197076
Mol1038,COc1ccc(-c2ccc(CN(CCN3CCOCC3)Cc3cccnc3)cc2)cc1,3.199491614
Mol1039,COc1ccc(C2(NCc3cccc4ncccc34)CC2)cc1,3.12682501
Mol1040,CC(=O)c1ccc(OCCCCN2CCCC2)cc1,2.656148052
Mol1041,O=C(O)c1cc(/C=C/c2csnn2)nc2ccccc12,1.027920136
Mol1042,CSCc1csc(NC(C)=O)n1,2.394859516
Mol1043,CN(C)c1cc(CNc2ccc(C#N)cn2)ccn1,1.975257136
Mol1044,CC(C)(C)n1ncc(C(=O)N2CCCn3ncnc32)c1C(F)(F)F,2.574546325
Mol1045,c1cnc(-n2cccn2)c(CNC2CCCC2)c1,1.605434345
Mol1046,CCc1nnc(Oc2cccnc2)c(C#N)c1CC,1.333507729
Mol1047,O=C(CSc1nnc(-c2cccs2)[nH]1)N1CCCCCC1,2.567835354
Mol1048,Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCCCC1,1.877163941
Mol1049,COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3C)C2)o1,3.503921088
Mol1050,Cc1ccc2oc([C@H]3CCN(Cc4cccs4)C3)nc2c1,3.301915487
Mol1051,CCc1cnc(C)nc1-c1ccc(-c2ccn[nH]2)cc1,1.875188638
Mol1052,O=C(Nc1ccc(N2CCOCC2)nc1)N1CCc2sccc2C1,2.037753092
Mol1053,Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12,2.279532347
Mol1054,CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O,2.028742009
Mol1055,CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n21,2.433891387
Mol1056,O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1,1.367616792
Mol1057,COc1ccc(F)cc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.172893239
Mol1058,O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1,2.552304327
Mol1059,CC(=O)Nc1cc(CCC2CCNCC2)ccn1,1.027920136
Mol1060,CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,1.027920136
Mol1061,O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1,1.660476525
Mol1062,CC(C)(C)NC(=O)Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O,2.873526944
Mol1063,Cc1ccccc1CSc1ccc(-c2ccccn2)nn1,2.729890168
Mol1064,CC(C)c1noc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1,2.274859546
Mol1065,O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1,1.896779666
Mol1066,CCc1cc(N(C)Cc2ccc(N)nc2)nc(C)n1,1.027920136
Mol1067,CCC1(O)CN(c2ncccc2C#N)C1,1.397783635
Mol1068,Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1,1.027920136
Mol1069,O=C1CC[C@H](O)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1,2.653160395
Mol1070,CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1,2.818199492
Mol1071,CC(C)(CO)NCCCCn1c2ccccc2c2ccccc21,2.212283512
Mol1072,Cn1c(=O)n(C2CCCC2)c(=O)c2c(F)cccc21,2.618293953
Mol1073,Cc1noc2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,2.575872243
Mol1074,Cc1noc(C)c1CS(=O)(=O)Cc1cccc2c1OCCO2,3.358958802
Mol1075,Cc1ccc(CNC(=O)c2cccnc2)n1C,1.027920136
Mol1076,CN1CCc2nc(NC(=O)c3cncn3-c3ccccc3)sc2C1,1.803368336
Mol1077,Cc1ccc2cccc(OCC(=O)N(C)c3ccccc3)c2n1,2.683415402
Mol1078,C=CCn1cnc2c(Cl)cc(-c3ccc(C(=O)NC4CC4)o3)cc21,2.059729985
Mol1079,CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1ccncc1,2.675200731
Mol1080,FC(F)(F)COc1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)nn1,1.899004751
Mol1081,COc1ccccc1CC(=O)NC1CCN(C)CC1,1.736850481
Mol1082,CC(=O)N(c1ccc(C)cc1)c1nc(Cn2ccnc2)cs1,2.322802099
Mol1083,Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2,2.432674319
Mol1084,Fc1ccccc1CNc1nc(-c2ccccc2)no1,2.118519341
Mol1085,CC(=O)NC1(C(=O)N2CCCN(c3cccnn3)CC2)CCCCC1,1.320997417
Mol1086,CNC(=O)c1cccc(Oc2ncnc3c2CN(C)CC3)c1,1.027920136
Mol1087,C#CCN1CCC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1,1.921166051
Mol1088,N#Cc1ccccc1N1CCC(N)CC1,3.345034986
Mol1089,N#Cc1ccc(Cn2cncn2)c(F)c1,1.027920136
Mol1090,Fc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12,3.332564892
Mol1091,CN(C)S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1,2.981805021
Mol1092,Cn1cnnc1CCn1ccnc1-c1cc2ccccc2s1,1.403240665
Mol1093,CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21,2.500914016
Mol1094,Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cn1,1.027920136
Mol1095,CC(C)c1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1,2.662133321
Mol1096,COc1ccc(-c2nc(CN3CCC[C@H](O)C3)no2)cc1,1.681195996
Mol1097,CCc1nc(NC(=O)c2ccccc2F)sc1C,2.164834477
Mol1098,Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,2.779713345
Mol1099,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1,2.985315978
Mol1100,O=C(O)c1ccccc1-c1ccc(CN2CCCCC2)cc1,1.734535813
Mol1101,CN1CC(=O)N(CCCC(=O)Nc2cccc(C#Cc3cccs3)c2)C1=O,2.86787684
Mol1102,O=C(CCc1ccco1)Nc1ccccc1OC(F)F,2.919639696
Mol1103,Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(-c2cccnc2)n1,2.618166334
Mol1104,Cc1noc(C)c1CCC(=O)Nc1cccnc1,1.50711343
Mol1105,CCCN1CCCN(c2ncccc2C#N)CC1,3.224870371
Mol1106,CSCc1c(C(=O)NC(C)C)oc2ccccc12,2.564701564
Mol1107,Fc1ccc(F)c2c(NCc3ccc(N4CCOCC4)nc3)ccnc12,2.178559709
Mol1108,CCOc1ccccc1CNCCc1c[nH]c2ccccc12,3.335979142
Mol1109,COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1,2.519061069
Mol1110,COc1ccncc1NCc1ccc2c(c1)OCCO2,2.75575979
Mol1111,O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1,3.122454593
Mol1112,Cn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1,2.360875405
Mol1113,Cc1ccc(-n2ccnc2-c2ccoc2)c2cccnc12,2.762359664
Mol1114,O=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1,2.888995627
Mol1115,Clc1ccccc1CNCc1ccc2c(c1)OCCO2,3.337312075
Mol1116,Cc1cccc(-c2nc(CN(Cc3cnn(C)c3)C(C)C)c(C)o2)c1,3.65905931
Mol1117,O=C(Cc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1,2.942157425
Mol1118,COc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1,2.389036663
Mol1119,Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1,1.482702118
Mol1120,c1ccc(-c2nsc(N3CCCN(c4nccs4)CC3)n2)cc1,3.16770153
Mol1121,Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2n1,2.941471678
Mol1122,CCCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.536810866
Mol1123,Cc1nc2cc(NC(=O)CCc3c(C)noc3C)ccc2o1,1.894609555
Mol1124,CN(CC(=O)N(C)C)Cc1cc(C#N)ccc1F,1.58043455
Mol1125,O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc12,2.477014116
Mol1126,O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(Cc3ccccc3)cccc12,2.549043745
Mol1127,Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1,1.950321033
Mol1128,Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCCO,1.027920136
Mol1129,COc1ccc(CCC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,2.938167844
Mol1130,Cc1ccc(-n2c(S)nnc2-c2ccc(O)cc2)c(C)c1,2.111060782
Mol1131,Cc1nccn1-c1cncc(N2CCN(CC3CCCC3)C(=O)C2)n1,2.732459703
Mol1132,N#Cc1c(O)nc2scc(-c3ccc(-c4ccccc4O)cc3)c2c1O,1.027920136
Mol1133,O=C1CN(C(=O)c2ccc(F)cc2)CCN1,1.027920136
Mol1134,CN(CC(=O)NC1(C#N)CCCC1)c1ccccc1,2.697531848
Mol1135,CCOc1ccc(CC(=O)NCCn2cccnc2=O)cc1,1.04351946
Mol1136,Cc1ccc(C)c(S(=O)(=O)N2CCCN(C3CCC3)CC2)c1,3.331775402
Mol1137,COc1c(N)ncnc1N1CCCC(C)(C)CC1,3.082971969
Mol1138,COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC,1.70588081
Mol1139,Cc1nccc(C2(C)CCN(CC(N)=O)CC2)n1,1.027920136
Mol1140,Cc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C,1.845470133
Mol1141,O=C1CCCN1c1ccc(NCc2ccccn2)nc1,1.027920136
Mol1142,Cc1csc(N2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)n1,2.025907724
Mol1143,CNc1nc(-c2cc(OC)cc(OC)c2)ncc1F,2.07021155
Mol1144,COc1ccccc1-c1nc(C(=O)O)cs1,1.027920136
Mol1145,Cc1ccc(CC(=O)Nc2nc(C)no2)cn1,1.027920136
Mol1146,CCCn1c(=O)n(Cc2ccc(C#N)cc2F)c2ccccc21,2.800934171
Mol1147,OCCCCCn1cc(-c2ccccc2-c2ccco2)nn1,2.370720288
Mol1148,Cc1ccc(C2=NC3(CCN(Cc4ccc(F)cc4)CC3)NC2=O)cc1,2.825713605
Mol1149,O=C(NCc1ccccn1)c1ccc(F)cc1Cl,1.027920136
Mol1150,Nc1ccc(CC(=O)Nc2ccccc2F)cc1,1.027920136
Mol1151,COc1ccc(CN(C)C(=O)Nc2ccccc2)cc1F,2.808804935
Mol1152,Cc1ccc(-n2cc(C(=O)NCCN(C)C)nn2)cc1C,2.276638703
Mol1153,CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1,2.153458139
Mol1154,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2,2.556304914
Mol1155,COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,1.312748421
Mol1156,Cc1nccc(-c2cccc(NCc3cc(C)on3)c2)n1,2.543854567
Mol1157,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl,3.218672284
Mol1158,Cc1ccc(C)c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,3.288203602
Mol1159,C/C=C/CC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1,2.887008186
Mol1160,O=C(NC1=NS(=O)(=O)c2ccccc21)c1cc(-c2ccc(F)cc2)no1,1.027920136
Mol1161,Cc1cc(CN2CCN(c3ncccn3)CC2)on1,1.961392615
Mol1162,CCc1nnc2n1CCN(C(=O)c1ccccc1Oc1cccnc1)C2,1.873518228
Mol1163,CNC(=O)c1cc(C2CCN(C)CC2)ncn1,1.027920136
Mol1164,CN1CCc2ncnc(N3CCCN(c4nccs4)CC3)c2C1,2.117619255
Mol1165,Cc1cc(N(C)C)nc(N(C)Cc2csc(C)n2)n1,2.833233197
Mol1166,Cc1cccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)c1,3.174717296
Mol1167,CCc1cnc(CN2C(=O)NC3(CCC3)C2=O)o1,1.715351413
Mol1168,Cc1cnn(C2CN(CC3(O)CCCCC3)C2)c1,3.277879333
Mol1169,CC1(C)CCN(C(=O)NCCOc2cccnc2)C1,1.680553059
Mol1170,CN(Cc1cscn1)c1nc2c(cc1C#N)CCC2,3.073361239
Mol1171,N#CCSCC(=O)NC1CCCCCC1,1.582370217
Mol1172,Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)sc1Br,2.902705466
Mol1173,CCC(Nc1cnn(C)c1)c1ccc2c(c1)OCCO2,2.521183865
Mol1174,CC(C)c1cccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1,3.623332729
Mol1175,Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,1.027920136
Mol1176,Brc1cc2c(cc1Cn1cncn1)OCCCO2,2.357932942
Mol1177,COCCNc1ncnc2ccsc12,1.36078269
Mol1178,O=C(c1ccccn1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,3.113778957
Mol1179,CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1,2.861773297
Mol1180,Cc1cnn(Cc2nc(Cn3cccn3)no2)c1,1.027920136
Mol1181,COc1ccccc1CC(=O)Nc1ncc(C)s1,2.417446781
Mol1182,CCCN(CC)c1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1,2.488679012
Mol1183,Cc1c(Cl)cccc1NC(=O)C(C)N1CCCN(c2nccs2)CC1,3.642941685
Mol1184,Cc1nc(N2CCOc3ccccc3C2)c2cnn(C)c2n1,2.434540163
Mol1185,COCC(=O)Nc1cccc(-n2cccc2)c1,2.111430552
Mol1186,CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1,2.742175043
Mol1187,Cc1cnc(-c2nc(NCc3ccccn3)ncc2-c2onc(C)c2C)cn1,3.015880513
Mol1188,CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,2.180916867
Mol1189,CCNC(=O)c1ccc(-c2cc(C)cc(OC)c2OC)nc1,1.969075613
Mol1190,Cc1ccc(C)c(OCCN(C)C(=O)c2ccc3c(c2)nnn3C)c1,3.011708702
Mol1191,CC(C)c1nc(NCc2cccnc2)n(C)n1,1.027920136
Mol1192,COc1ccc(N2CCCN(CC3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.706922509
Mol1193,CCc1nc2ccccc2n1CC(=O)Nc1ncc(C)s1,2.541104755
Mol1194,O=C(CSC1CCCC1)NCCn1nc2c(cc1=O)CCCC2,3.073010809
Mol1195,O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccncc1,1.751710104
Mol1196,COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cn1,3.061012684
Mol1197,Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnc(C)o2)cc1,3.320933329
Mol1198,CCC(=O)N(C)c1ccccc1C(=O)O,3.052677785
Mol1199,CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1,1.027920136
Mol1200,C#CCOc1ccc(C(=O)NN2CCCC2=O)cc1,1.027920136
Mol1201,COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2CN2CCCC2)cc1,2.442799493
Mol1202,Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O,2.742340143
Mol1203,Cc1ncsc1C(=O)N1C[C@@H]2CCCN(C(=O)c3scnc3C)[C@@H]2C1,1.040444098
Mol1204,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,2.226256974
Mol1205,COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1,2.280808203
Mol1206,O=C(NCC1CC1)c1ccc(-n2ccnc2)nc1,1.365600288
Mol1207,Fc1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,3.293056783
Mol1208,O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2,2.217328623
Mol1209,Cc1ccc(CN(C)c2ncnc3c2cnn3C)o1,2.348384704
Mol1210,O=C(CN1CCC(c2ccccc2)CC1)N1CCNC1=O,1.813927752
Mol1211,N#CC1(NC(=O)CN2CCOCC2)CCCCCC1,1.816638945
Mol1212,O=C(CCCc1nc2ccccc2[nH]1)N1CCCC1,1.929541533
Mol1213,C=CCN(Cc1cccnc1)c1nc(C)nc2sccc12,3.170271986
Mol1214,CN(C)C(C)(C)CNc1ncnc2ccccc12,2.466869103
Mol1215,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,1.027920136
Mol1216,COc1cccc(CN2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1,2.994858913
Mol1217,Cc1nc(N(C)C)cc(C2(C)CCNCC2)n1,1.264132797
Mol1218,O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,1.956370158
Mol1219,Cc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3F)nn2)cc1,3.038174513
Mol1220,Cc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1,1.451187525
Mol1221,N#CCCN(C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2,3.364089817
Mol1222,CON(C)C(=O)Cc1c(C)[nH]c2ccccc12,1.847554152
Mol1223,Cc1cccc(Oc2ncccc2N)c1C,2.488247451
Mol1224,CC(C)c1cnc(COc2ccc(Br)nc2)o1,2.99235908
Mol1225,CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1,2.374445884
Mol1226,CN1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1,1.307709923
Mol1227,N#Cc1ccc(CCC(=O)Nc2ccncc2)cc1,1.780230877
Mol1228,Cn1c(=O)c2c(nc3n2CCN3Cc2c(F)cccc2Cl)n(C)c1=O,2.163510221
Mol1229,C#CCNC(=O)Cc1coc2cc(OC)ccc12,2.263446689
Mol1230,COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)c1C,1.713498943
Mol1231,CN(C)c1nc(N)nc(Sc2ccccc2)n1,2.807417983
Mol1232,Cc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc2c(F)cccc12,2.736383752
Mol1233,O=C(NCC1CC1)c1cncn1-c1ccc(F)cc1,1.027920136
Mol1234,CCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1,3.227190505
Mol1235,Cc1cc(C(=O)NCCC2=CSC3=NCCCN23)c2cccc(C)c2n1,2.463613817
Mol1236,c1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1,1.32362331
Mol1237,CN(C)c1cnn(CCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c1,3.101228979
Mol1238,Nc1nc(-c2ccccc2)nc2nc(C3CCCN(CC(=O)N4CCCC4)C3)ccc12,2.270546082
Mol1239,COc1cc(C(=O)O)c(N)c(OC)c1OC,1.027920136
Mol1240,CC(C)(C)N1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1,1.815119306
Mol1241,O=C(NCCc1ccc2c(c1)OCO2)Nc1ccncc1,1.43611492
Mol1242,COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,2.098307926
Mol1243,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1,1.494405076
Mol1244,COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1,3.197581289
Mol1245,NC(=O)COc1ncnc2ccccc12,1.027920136
Mol1246,O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,3.142284948
Mol1247,CN(C)CCN(Cc1ccccc1)Cc1ccccc1O,3.140291785
Mol1248,Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1,1.027920136
Mol1249,CN(CCOCCOc1ccccc1-c1ccccc1)Cc1ccccc1.O=C(O)C(=O)O,3.182121219
Mol1250,Cn1nccc1CC1CCN(C2CCCC2)CC1,2.410927313
Mol1251,C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1,3.319202281
Mol1252,Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,1.927252276
Mol1253,CC(=O)Nc1cnn(CC2CCN(C)CC2)c1,1.027920136
Mol1254,Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NS(=O)(=O)CC(C)C)[C@H]3c3ccc(Cl)cc3)ccc12,2.97487261
Mol1255,CC(=O)Nc1cccc(CN2CCCN(C(C)=O)c3ccccc32)c1,2.96343978
Mol1256,Cc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,2.967809036
Mol1257,Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1,1.027920136
Mol1258,Cc1cccnc1NC(=O)Cc1coc2c(C)c(C)ccc12,3.634550721
Mol1259,Cn1cc(CN2CCN(c3ccccc3O)CC2)c(-c2ccncc2)n1,2.572999317
Mol1260,Cc1cccc(C)c1OCC(=O)N(C)C1(C#N)CCC1,2.674191278
Mol1261,CS(=O)(=O)Cc1ccn(-c2ccccc2)n1,1.027920136
Mol1262,CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1,1.027920136
Mol1263,CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1,2.320391417
Mol1264,CCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1,2.738503885
Mol1265,COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2nccn2C)cc1,3.397295037
Mol1266,Cc1ccc2c(c1)cc(CNCCc1ccccc1)c1nnnn12,3.249146973
Mol1267,O=C(CCn1cncn1)N(CC#Cc1ccccc1)C1CCCC1,3.130409361
Mol1268,C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O,2.195542665
Mol1269,CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1,2.705213494
Mol1270,Cc1nnc(-c2ccccc2-c2ccc(O)cc2)s1,2.599016893
Mol1271,CCc1cnc(NCc2ccc(CN3CCCC3)cc2)nc1,2.464419494
Mol1272,CCCNC(=O)c1c(C)nn(-c2ccccc2)c1C,3.313825265
Mol1273,CN1CCN(C(=O)c2cc(Br)cnc2Cl)c2cnccc21,1.958238877
Mol1274,Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1,3.399959639
Mol1275,CN(C)c1cc(CNC(=O)C2CCOCC2)ccn1,1.027920136
Mol1276,O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1,2.389748889
Mol1277,COC(=O)c1cc(F)c(C)c(NC(=O)CCCc2ccccn2)c1,3.224233848
Mol1278,COc1ccc(C)cc1-n1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1,2.406255667
Mol1279,CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1,1.027920136
Mol1280,NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1,1.947340579
Mol1281,CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)C)cc2)CC1,3.298423152
Mol1282,O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CCCc2ccccc2)C1,3.279585506
Mol1283,Cn1nc(C2CC2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21,2.38811364
Mol1284,COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(C)=O,1.988170861
Mol1285,Fc1cccc(CCNCc2cc(-c3ccccc3)cn3nnnc23)c1,3.236257298
Mol1286,COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)c1,3.497596207
Mol1287,O=C(O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1,1.027920136
Mol1288,c1ccc(C(c2ccccc2)c2noc(Cn3cnc(C4CC4)n3)n2)cc1,3.178832542
Mol1289,Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1,1.696504915
Mol1290,COC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1,1.463878065
Mol1291,CC1(C)CN(C(=O)c2cncc(Br)c2)CCO1,1.027920136
Mol1292,CN1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1,2.678538409
Mol1293,O=C(Nn1cnc2ccccc21)c1c2c(nc3ccccc13)CCC2,1.027920136
Mol1294,Cc1cccc(N(C)C(=O)COC2CCCC2)n1,2.300606352
Mol1295,Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)c2c(C)nn(C)c2n1,1.875477986
Mol1296,CCN(CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1,2.493877504
Mol1297,Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,1.027920136
Mol1298,OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1,2.091336276
Mol1299,Fc1ccc(CNc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,3.652460244
Mol1300,Cc1oc(C)c(C(=O)NCC#Cc2ccccc2)c1C,3.121231127
Mol1301,CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2)CC1,3.164344229
Mol1302,Cc1cc(NCc2ccnc(N3CCCC3)c2)c2ccccc2n1,3.737787441
Mol1303,Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1,3.143961093
Mol1304,Cc1nccc(-c2cccc(NCC(=O)N3CCCCCCC3)c2)n1,3.311706192
Mol1305,Cc1ccc(-c2cnc(N)cn2)c2cccnc12,1.877192753
Mol1306,COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1,1.90538567
Mol1307,O=C(NC1CCCCC1)C1CCN(c2ccncc2Cl)CC1,2.41001085
Mol1308,c1ccc(C2(c3ccccc3)CCCN(Cc3nnc(C4CC4)o3)C2)cc1,3.079395445
Mol1309,Cc1nn(C)c2ncnc(N(C)Cc3cccc(Cl)c3)c12,2.814166324
Mol1310,CN(C)C1CN(c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)C1,3.434142543
Mol1311,CC(C)c1nc(CCn2ccnc2-c2ccoc2)cs1,3.333990256
Mol1312,Cc1cc2occ(CC(=O)NC3CCN(C)CC3)c2cc1C(C)C,2.609339306
Mol1313,CCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1,1.305566314
Mol1314,Nc1ccccc1OCCn1ccnc1,1.485352261
Mol1315,CCCCCCNc1ncnc2[nH]ccc12,2.758597028
Mol1316,Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CC3)ccc2o1,3.237082055
Mol1317,CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1,2.375154963
Mol1318,O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1,1.472917269
Mol1319,CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@H]2CO)CC1,1.469011559
Mol1320,COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1,1.511789811
Mol1321,CCN1CCc2ncnc(N3CCNc4ccccc4C3)c2C1,2.022622173
Mol1322,Cn1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cn1,1.027920136
Mol1323,CCc1noc(-c2ccc(CCN)cc2)n1,1.736579744
Mol1324,O=C(O)CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O,1.027920136
Mol1325,O=C(NCCc1cn2c(n1)CCCC2)c1ccccn1,1.426202103
Mol1326,Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n1,2.548213699
Mol1327,O=C(CN1CCc2ccccc21)N1CCNC1=O,1.210586025
Mol1328,O=C(O)c1c2ccccc2nn1Cc1ccccc1,1.027920136
Mol1329,Cc1nc2cc(-c3nccn3C)nn2c(NCc2cccnc2)c1C,2.578647231
Mol1330,COc1cc(OC)c(OC)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,1.027920136
Mol1331,CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1,2.646919084
Mol1332,Cc1cccc(NCCc2cn3c(n2)CCCC3)n1,2.987222361
Mol1333,COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1,3.293288066
Mol1334,Cc1cc(N(C)C)nc(-n2ccnc2)n1,1.919475578
Mol1335,CCCC(=O)NCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.027920136
Mol1336,COc1cc2c(cc1NC(C)=O)oc1ccccc12,1.804391618
Mol1337,Cn1cncc1-c1ncccc1C(=O)N1CCCC1,1.027920136
Mol1338,Cc1noc(C(C)C)c1C(=O)Nc1ccccn1,2.70725669
Mol1339,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,1.610351364
Mol1340,CNC(=O)CCc1nc(-c2ccccn2)no1,1.027920136
Mol1341,O=C(CN1CCCc2ccc(F)cc21)N1CCNC1=O,1.787375449
Mol1342,Cc1cc(N(C)C)nc(-n2cnc(C#N)n2)n1,1.898648406
Mol1343,N#CC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1,2.701927877
Mol1344,CCOC(=S)SCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1,3.144022817
Mol1345,Nc1nc(N)c2c(Cl)c(Br)ccc2n1,1.927796235
Mol1346,c1ccc(Cc2n[nH]c(CSc3ccccc3)n2)cc1,3.120964292
Mol1347,Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1,3.281457223
Mol1348,Cc1ccc(-c2ccc(=O)n(Cc3ccncc3)n2)cc1,3.380312565
Mol1349,Cc1ccnc(Oc2cc(N)ccc2C)c1,2.362325995
Mol1350,CCOC(=O)c1cc2ccccc2n1CC(=O)c1ccc(F)cc1,3.277170803
Mol1351,Cn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)ccc1=O,1.027920136
Mol1352,CC(C)c1ccc2c(c1)[C@H](NC(=O)Cn1ccnn1)CCC2,2.473101408
Mol1353,Cc1ccccc1COC1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1,2.575491514
Mol1354,COc1cc(CNc2nc3ccccc3nc2C)ccn1,2.093680784
Mol1355,CCN1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1,1.027920136
Mol1356,Cc1ccc(-c2ccnc(N3C[C@@H](C)NC[C@@H]3C)n2)c(C)n1,1.895974732
Mol1357,Cn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1,3.352950636
Mol1358,Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1,2.340313212
Mol1359,CCC(=O)N(C)CC(=O)Nc1cccc(F)c1,1.084719232
Mol1360,O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccncc3)ccc21,2.272414868
Mol1361,O=C(NCCc1csc(N2CCCC2)n1)N1CCSCC1,2.945556715
Mol1362,Cc1ccccc1-n1cc[nH]c(=O)c1=O,1.027920136
Mol1363,CCN(CC)C(=O)N1CCCN(C(=O)N(CC)CC)CC1,2.843747147
Mol1364,c1ccc(-n2ncc3c(-n4ccnc4)ncnc32)cc1,2.575138175
Mol1365,CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1,2.716877733
Mol1366,COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2cccs2)c1C,2.68463624
Mol1367,CC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1,2.421768401
Mol1368,O=C(CSC1CCCC1)N1CCC(n2ccnn2)CC1,2.139529622
Mol1369,Cc1ccc(C(=O)NC[C@H]2Cn3ccnc3CO2)cc1,1.027920136
Mol1370,CC(C)(C)C(=O)N1CCC(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1,2.45996062
Mol1371,CC(=O)N1CCCN(Cc2c(C)nn(C)c2Cl)CC1,1.640908565
Mol1372,NC(=O)CC1CCN(c2ncccn2)CC1,1.027920136
Mol1373,COc1ccc2nc(C)nc(N3CC(CO)C3)c2c1,1.132771829
Mol1374,Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1,1.027920136
Mol1375,O=C(CCc1ccc2c(c1)OCO2)Nc1nc2c(s1)CCC2,2.773161606
Mol1376,Cc1nccc(C2CCN(Cc3ncc[nH]3)CC2)n1,1.461183271
Mol1377,CCCC(=O)Nc1ccc(C)c2ncccc12,1.449200609
Mol1378,CC(C)Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCC1,1.449786847
Mol1379,O=C1CCCN1C(=O)COc1cccc(-c2nnco2)c1,1.43858981
Mol1380,CCn1nccc1-c1cc(CC2CCNCC2)ncn1,1.027920136
Mol1381,Cc1ccc(C(=O)N(C)Cc2c(C)noc2C)cn1,1.027920136
Mol1382,O=C(CCn1nnc2ccccc2c1=O)Nc1ccncc1,1.928226813
Mol1383,O=c1[nH]c2cnccc2n1Cc1ccccc1,1.680553059
Mol1384,Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)O,1.027920136
Mol1385,Clc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cn1,1.824529338
Mol1386,CCCn1ncc2[nH]c(C3CCCCC3)nc21,1.922611292
Mol1387,Cc1ccc(-c2noc(CCC(=O)N3CCCC3(C)C)n2)cc1F,3.529047483
Mol1388,CCC(=O)N1CCCc2cc(C(O)CN3CCN(c4ccc(OC)cc4)CC3)ccc21,2.451837075
Mol1389,O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1,2.277306592
Mol1390,O=C(Nc1nc2ccccc2[nH]1)c1ccncc1,2.036972044
Mol1391,O=C(Cc1ccc2c(c1)OCCO2)NC1CCCCCC1,2.967200121
Mol1392,CNC(=O)CN1CCCN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1,1.943123377
Mol1393,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,2.98227259
Mol1394,CC(C)(C)n1cc(CNc2cccnc2)cn1,1.61992771
Mol1395,Cc1nccc(-c2cccc(NCC(=O)N(C)c3ccccc3)c2)n1,2.602668663
Mol1396,Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1,2.220152562
Mol1397,Cc1ccc(N2CCN(C(=O)c3c(C)nc4sccn34)CC2=O)cc1,1.50861051
Mol1398,Cn1c(CNC(=O)Cc2ccccc2)nc2ccccc21,1.952506693
Mol1399,Cc1ccnc(NC(=O)CN2CCCC2=O)c1,1.027920136
Mol1400,CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1,2.552634152
Mol1401,Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1,2.311897896
Mol1402,CC(C)c1cc(N2CCc3[nH]nc(C4CC4)c3C2)n2nccc2n1,2.580433409
Mol1403,Fc1ccccc1-c1noc(-c2ccc(NCCc3cnccn3)nc2)n1,2.87459487
Mol1404,COc1ccccc1OC1CCN(Cc2ccccc2C#N)CC1,3.177943478
Mol1405,O=C(NCC1(c2ccccc2)CC1)c1cccnc1,2.363504803
Mol1406,C#CCNC(=O)CCc1c(C)nn(C)c1C,1.027920136
Mol1407,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CC2,2.849634972
Mol1408,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(C)=O)C1)CC2,1.298044843
Mol1409,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)CC2,2.808478357
Mol1410,Cn1ncc2c1CCc1sc(NC(=O)c3cccnc3)nc1-2,1.950165189
Mol1411,COc1ccc2nc(NCc3cnn(C)c3)ccc2c1,1.947551348
Mol1412,O=C(c1cccc(N2CCNC2=O)c1)N1CCc2ccccc2C1,2.50742136
Mol1413,Cc1nnc(N2CCCSCC2)c(C#N)c1C,3.1844268
Mol1414,CN(C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ncc(-c2ccccc2)n1C,2.445604203
Mol1415,CC1(C)CN(C(=O)C2(C(=O)N3CC(C)(C)C3(C)C)CCC2)C1(C)C,3.082351577
Mol1416,Cc1cccc(O[C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)c1,2.846643238
Mol1417,c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5[nH]ncc5C4)c23)c1,3.118970006
Mol1418,CC(C)n1nnnc1-c1ccc(N)cc1F,1.604085587
Mol1419,Cc1nn(C)c(C)c1CCC(=O)N1CCN(C)Cc2ccccc21,2.44494058
Mol1420,O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl,2.103919973
Mol1421,Cc1n[nH]c(-c2c(C)c3cc(F)ccc3n2C)n1,2.499054421
Mol1422,CCN1CCc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2C1,2.65121112
Mol1423,Cc1nc(NCC(C)(C)c2ccccc2)n(C)n1,2.370975449
Mol1424,CCCc1nnc(NCc2cn3ccc(C)cc3n2)o1,1.53149169
Mol1425,CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,1.978150832
Mol1426,COc1ccc(C(=O)N2CCCC2)cc1NC(C)C,1.938339566
Mol1427,O=C(OCc1cc(Cl)ccn1)c1ccc2[nH]c(C(F)F)nc2c1,3.182590104
Mol1428,Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12,2.469036632
Mol1429,N#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1,1.758025755
Mol1430,CN(C)c1cccc(Cn2ccnc2-c2ccc(O)cc2)c1,3.015474183
Mol1431,CC(C)(C)OC(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1,3.115318554
Mol1432,N#Cc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1,3.304961189
Mol1433,Cc1noc(OCC(=O)N2CCCCCC2)n1,1.027920136
Mol1434,Cc1csc(NC(=O)c2ccc(-c3ccncc3)cc2)n1,2.484480639
Mol1435,CCN(C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C,1.737653736
Mol1436,Cc1cccc(-n2cnnc2CCCN2CCOCC2)c1,1.992668372
Mol1437,Cc1ccnc(C2CCN(C3CCCC3)CC2)n1,2.92820222
Mol1438,Cc1ccc2[nH]c(C3CCN(C)CC3)nc2c1,2.835418497
Mol1439,CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO,2.152526835
Mol1440,O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3ccsc3)no2)CC1,2.419407167
Mol1441,CC(c1nnc(-c2cccs2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.435559307
Mol1442,O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc21,2.594451115
Mol1443,CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2ccnc2)nc1,1.66669578
Mol1444,N#Cc1ccccc1OCc1csc(-c2ncccn2)n1,2.07612685
Mol1445,Nc1ccc2c(c1)ncn2CCc1ccccc1,1.449046204
Mol1446,COc1cccc(CN(C)c2ncnc3c2CN(C)CC3)c1,2.261343771
Mol1447,CCONC(=O)c1sc(C)nc1C,1.027920136
Mol1448,Cc1ccc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)cc1,2.821762374
Mol1449,CC(C)CN1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1,1.882735088
Mol1450,O=C(O)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1,1.249736305
Mol1451,N#Cc1ccc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1,1.835290964
Mol1452,O=C(O)c1cnc(/C=C/c2csc(-c3ccsc3)n2)s1,1.772820272
Mol1453,FC(F)(F)c1nccc(NCCSc2nc3ccccc3o2)n1,2.873189771
Mol1454,O=C(Cc1cccc(I)c1)N1CC(CO)C1,1.027920136
Mol1455,Cc1nc(NC2(c3cccc(Cl)c3)CC2)c2c(C)noc2n1,2.405223381
Mol1456,CCc1oc2c(-n3cnnc3)cccc2c1C,2.229033884
Mol1457,CCOC(=O)c1cccnc1-c1ccc2[nH]ccc2c1,2.842059159
Mol1458,CCCN1CCn2nc(-c3nc4cc(OC)ccc4[nH]3)cc2C1,2.447564217
Mol1459,Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1,2.210449618
Mol1460,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,2.033480049
Mol1461,Cc1nn(Cc2csc(-c3cccs3)n2)c(N)c1C#N,2.588775756
Mol1462,COc1ccc2cc(-c3[nH]c(-c4ccc(S(C)=O)cc4)nc3-c3ccncc3)ccc2c1,2.082534053
Mol1463,CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,2.884571081
Mol1464,COc1cccc(-c2cccc(N)n2)c1F,2.411279544
Mol1465,Cc1ccc(CNC(=O)c2cccs2)cn1,1.027920136
Mol1466,Cc1cc(Nc2ccccn2)cc(C2CCCN(CC(=O)Nc3ncc(C)s3)C2)n1,2.980412007
Mol1467,O=C(CCc1ccc(Cl)cc1)N1CCCC(c2n[nH]cc2-c2cccc(F)c2)C1,3.512951347
Mol1468,CCOc1cccc(CNCCc2c[nH]c3ccccc23)c1,3.122647009
Mol1469,CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C,2.189796205
Mol1470,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1,2.024633418
Mol1471,C(=C/c1ccccc1)\CNCc1ccc2c(c1)OCO2,2.758029545
Mol1472,Cc1nc(O)c2c(n1)CN(Cc1ccccc1)CC2,1.027920136
Mol1473,Cn1cc(C(=O)O)c(C2CCCCC2)n1,1.027920136
Mol1474,O=C(COc1ncnc2ccccc12)NC12CC3CC(CC(C3)C1)C2,2.669835492
Mol1475,O=C(NCc1cccnc1)c1sccc1-c1ccccc1,2.937782601
Mol1476,Cc1oc(C)c(C(=O)N2CCNC(=O)C2)c1Br,1.027920136
Mol1477,COc1ccc(-c2ccc(CN(CCN(C)C)Cc3ccncc3)cc2)cc1,2.667448283
Mol1478,O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)CCC2,1.654571176
Mol1479,O=C(NC1CCCCCC1)c1ccc(-c2cnco2)cc1,1.956379761
Mol1480,Cc1cnc(CNCc2cccc3c2OCO3)s1,2.310266241
Mol1481,CNC(=O)Cc1nc(-c2cncc(C)c2)cs1,1.160198326
Mol1482,Cn1ncc2c(Oc3cccc(Oc4ccccn4)c3)ncnc21,2.56717346
Mol1483,CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1,3.372758685
Mol1484,CN(Cc1ccc(N)nc1)c1ncccn1,1.357401175
Mol1485,CN(CCc1ccccc1)C(=O)CC#N,1.027920136
Mol1486,Cc1csc(Nc2ccc(C#N)cc2)n1,2.79255697
Mol1487,Cc1noc(CCNc2ncnc3ccccc23)n1,1.974810944
Mol1488,Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCCCC3)cccc2c1=O,2.025756315
Mol1489,CCCC(=O)N1CCC(c2cccc(C)n2)CC1,2.645975102
Mol1490,O=C(Cc1cccs1)NCc1ccccc1F,2.122713802
Mol1491,O=C(Nn1cnc2ccccc21)c1cc(Cl)ccc1F,1.027920136
Mol1492,c1ccc(CCn2cnc3c2CCN(c2ncccn2)C3)cc1,3.399640153
Mol1493,Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)n1,3.045559233
Mol1494,O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCCO2,2.45154697
Mol1495,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl,1.289455166
Mol1496,O=C(NC1CC1)c1cccc2cccnc12,1.494919503
Mol1497,COCCc1nc(-c2ccccc2-c2ccccc2)n(CCO)n1,2.260912913
Mol1498,C1CCC(OCc2noc(C3CC3)n2)CC1,2.570284855
Mol1499,Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1,2.696490064
Mol1500,CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12,2.094921611
Mol1501,Cn1nc(C2CCNCC2)c2cccnc21,1.559343951
Mol1502,Cc1nc(CNC2CCN(C(=O)C3CC3)CC2)cs1,1.027920136
Mol1503,Cc1cccc(OC2CN(C(=O)Cn3c(C)nn(-c4ccccc4)c3=O)C2)c1,2.011912839
Mol1504,CN(C)c1ccc(-c2ccc(COCc3cccs3)cc2)nn1,2.613046473
Mol1505,O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC(Oc2cccnc2)CC1,3.320450809
Mol1506,O=C(NC1CCCCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1,3.278355239
Mol1507,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,1.168025809
Mol1508,Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)sc3C)CC2)no1,1.971507782
Mol1509,Cc1cc(-c2nccs2)nc(CC2CCNCC2)n1,1.589066718
Mol1510,CN(Cc1cccc(C#N)c1)c1cnc2ccccc2n1,2.678327138
Mol1511,Cc1ccc(-c2ccnc(O)c2C#N)cc1,1.275909969
Mol1512,COc1cncc(-c2ccnc3[nH]ccc23)c1,2.021267879
Mol1513,Cc1ccc(-n2cc[nH]c(=O)c2=O)cc1,1.027920136
Mol1514,Cc1nc(C)c(CNc2cnn(-c3ccccc3)c2)s1,2.0950612
Mol1515,Cc1cccc(NC2CCN(Cc3ccncc3)CC2)n1,2.375886647
Mol1516,c1ccc(CN2CCn3nccc3C2)cc1,1.490843033
Mol1517,CN(C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12,3.253160083
Mol1518,CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1,2.339971885
Mol1519,O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1,2.663557707
Mol1520,CCN(CC)C(=O)N1CCC(C(=O)O)CC1,1.027920136
Mol1521,CC(C)c1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1,3.251088983
Mol1522,Cc1ccc(OCc2noc(-c3ccsc3)n2)cn1,2.309430005
Mol1523,c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1,1.525446506
Mol1524,Cc1cc(C)cc(C(=O)Nc2c(C#N)cnn2C)c1,1.904017301
Mol1525,CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2,2.43117392
Mol1526,Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C)cc(O)c4c3)CC1)O2,2.075857061
Mol1527,COc1ccccc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1,3.331902432
Mol1528,CCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1,1.587542601
Mol1529,O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1,2.627594211
Mol1530,O=C(NC1CCCC1)c1cc(C2CC2)nc2ccccc12,2.14486053
Mol1531,Cn1cc(CCNc2cncc(Br)c2)cn1,2.0416374
Mol1532,N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)c1,3.168006931
Mol1533,Cn1c(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)cc(=O)n(C)c1=O,1.501552187
Mol1534,Cc1noc(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1,1.757008635
Mol1535,Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1,3.253114742
Mol1536,Cc1nnnn1CCN(C)c1ccccc1,2.344040372
Mol1537,CCC(=O)NCc1ccnc(N(C)C)c1,1.027920136
Mol1538,Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1,2.696723243
Mol1539,c1ccc2c(c1)CCN(Cc1nnc3n1CCC3)C2,1.538121108
Mol1540,O=C(NCc1nnc2n1-c1ccccc1CC2)c1ccc2ccccc2c1,2.713096391
Mol1541,Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCO4)cn2)n1,2.024374822
Mol1542,O=C(NCCc1ccc2c(c1)OCO2)C1CCCC1,2.778333616
Mol1543,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1,2.906852008
Mol1544,O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,1.155093008
Mol1545,CCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C,2.614855049
Mol1546,Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)c(C)n1,1.602135986
Mol1547,CCc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)s1,2.021900133
Mol1548,CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,1.027920136
Mol1549,CCc1nnc(Nc2cccc(C3CCCN(CC(=O)N4CCCC4)C3)n2)s1,2.268868029
Mol1550,Cc1cc(C)n(-c2cc(Nc3ccccc3C)ncn2)n1,2.456921453
Mol1551,O=C(CC(=O)N1CCCC1)N1CCCC1,1.027920136
Mol1552,CCNC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1,1.027920136
Mol1553,CNC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1,1.027920136
Mol1554,COc1ccc(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OC,2.829490319
Mol1555,Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3CCCCCC3)c2C)n1,2.919948425
Mol1556,CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1,1.49363926
Mol1557,Cc1ncc(C(=O)Nc2ncnc3oc(C)c(C)c23)s1,2.203019281
Mol1558,Cc1ccc2c(c1)c(Cn1ccnc1-c1cccc(C)n1)nn2C,3.28260127
Mol1559,Cc1noc(C2CCN(CCc3ccccc3)CC2)n1,2.651511578
Mol1560,O=C(Nc1ccc2sccc2c1)N1CCCN(C(=O)Oc2ccccc2)CC1,2.883941791
Mol1561,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2,2.118145634
Mol1562,Cc1nc(C2CCNCC2)cc(N(C)C)n1,1.027920136
Mol1563,NC(=O)c1ccc(Oc2ccc(C(=O)N3CCCCCC3)cc2)cc1,1.915410389
Mol1564,O=C(CCCOc1ccccc1)N1CCCC1,2.469131012
Mol1565,CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C,2.873374086
Mol1566,Cc1cc2ccccc2n1CC(=O)N1CCc2ccc(O)cc2C1,2.658493149
Mol1567,O=C(Nc1ccc2c3c(cccc13)CC2)c1ccnc(-n2cncn2)c1,2.215182677
Mol1568,Cc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1,3.786244663
Mol1569,O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1,1.882689573
Mol1570,CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1,2.223550451
Mol1571,CCC(C)(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1,3.006561448
Mol1572,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1,1.772336379
Mol1573,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,1.539841088
Mol1574,Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1,3.312518816
Mol1575,CC(=O)Nc1cccc(OCC(=O)N2CCCCC2)c1,2.098847848
Mol1576,O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,1.703497726
Mol1577,O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC1,1.738788483
Mol1578,COc1cc(NC(=O)c2ccc(F)cc2C)ncn1,1.690718691
Mol1579,Cc1cc(C)c(-n2cccn2)c(-c2cn(C[C@@H]3CCCO3)nn2)c1,2.704983974
Mol1580,CN(C)Cc1csc(-c2nccn2-c2ccc3c(c2)n(C)c(=O)n3C)c1,1.582188404
Mol1581,COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1,2.709212277
Mol1582,O=C(CC1CCCC1)NCc1nnc2n1CCC2,1.027920136
Mol1583,COCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1,3.153666112
Mol1584,Cc1ccsc1C(=O)NCc1ccc2c(c1)OCCCO2,2.978817107
Mol1585,CCNc1ccnc(N(C)Cc2nc3ccccc3n2C)n1,2.637424681
Mol1586,COc1ncccc1CNc1ncnc2c1cnn2C,1.460085599
Mol1587,C#CCNC(=O)c1ccc2c(c1)OCO2,1.536823483
Mol1588,CC(C)(C)c1nccc(NCc2ccncc2)n1,2.873938755
Mol1589,CCC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,1.904785849
Mol1590,CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,2.971121777
Mol1591,Cc1c(C(=O)NCc2cnc(N(C)C)n2C)sc2ccccc12,2.502078725
Mol1592,CN1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1,1.040087843
Mol1593,Cn1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cn1,1.614781248
Mol1594,CC(C)(C)NC(=O)NCCn1nc2c(cc1=O)CCCC2,2.020725804
Mol1595,COc1cc2nc(/C=C/c3cocn3)sc2cc1OC,1.871993017
Mol1596,CCOc1ncccc1-c1nc(C)cc(NC)n1,1.41715603
Mol1597,Cc1nc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)no1,2.633059218
Mol1598,O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1,2.595374955
Mol1599,O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1cccnc1)C2,2.448468243
Mol1600,CC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1,2.392200836
Mol1601,CCN(CC#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2,2.598360375
Mol1602,O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC1,2.658512217
Mol1603,Cc1cccc(OCCCNc2cc(Cn3c(C)nc4ccccc43)nc(N)n2)c1,3.311419856
Mol1604,CN(C)c1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1,2.589451384
Mol1605,Cc1cc(C(=O)NCC2CC2)n2nccc2n1,1.874510808
Mol1606,Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,1.254523909
Mol1607,O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1,3.294946991
Mol1608,Cc1cncc(C2CCN(Cc3cnccn3)CC2)n1,1.782415288
Mol1609,CC(=O)N1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1,1.523304145
Mol1610,O=C(CSc1ccc(F)cc1)N1CCCC1,2.069686593
Mol1611,O=C(c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2=O)CC1,1.14928071
Mol1612,O=C(c1ccncc1)N1CCC(c2cnccn2)CC1,1.027920136
Mol1613,COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)cc1,3.075357144
Mol1614,CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C,2.91951792
Mol1615,O=C(Cc1ccc(F)cc1)NCCn1cccnc1=O,1.355125725
Mol1616,Cc1cnc(-n2cnnc2)c(-c2cccc(Cl)c2Cl)c1,2.218672021
Mol1617,Cc1cccc(-n2c(S)nnc2CNc2ccc(F)cc2)c1,2.274009979
Mol1618,COc1ccc(-c2cccc(C3CCCN(C(=O)C4CCCC4)C3)n2)cc1,3.296850932
Mol1619,c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1,2.415384063
Mol1620,O=C(Nc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21,2.062675977
Mol1621,CSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1,3.400589963
Mol1622,COC(=O)[C@@H]1C[C@H](O)CN1CCc1ccccc1F,3.528063335
Mol1623,CC(C(=O)Nc1ccccc1)N1CCCC(c2nc3ccccc3o2)C1,3.477423636
Mol1624,CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1,1.027920136
Mol1625,COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F,2.573176894
Mol1626,CCN(CC)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.371104822
Mol1627,COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCC(N)=O,2.442962399
Mol1628,Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1,2.50573588
Mol1629,CCOc1ccc(Nc2ncccc2C#N)cc1,2.503695373
Mol1630,CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC,2.974492349
Mol1631,Cc1cccc2cc(C(=O)NCCSc3nccn3C)n(C)c12,2.861604896
Mol1632,N#Cc1ccc(C(=O)Nn2cnnc2)cc1,1.027920136
Mol1633,O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1,2.040163077
Mol1634,CN(C)C(=O)Cn1cc(C(=O)O)ccc1=O,1.027920136
Mol1635,Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OCCCO4)cs2)cn1,2.354891768
Mol1636,Cc1nc(-c2ccc(C)c(O)c2)n(C(C)(C)C)n1,2.091737283
Mol1637,C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1,2.504950428
Mol1638,Clc1ccc2[nH]c(COc3ccccc3)nc2c1,2.528736778
Mol1639,COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1noc(C)n1)C2,2.973013259
Mol1640,CCCCNC(=O)c1ccc2c(c1)nnn2C,1.027920136
Mol1641,CN1C(=O)CCc2cc(NC(=O)C(C)(C)c3ccccc3F)ccc21,2.558641382
Mol1642,Cc1csc(CCNc2ncccc2C#N)n1,2.942744984
Mol1643,c1cnc(NCCc2cccc3cccnc23)nc1,2.943789222
Mol1644,Nc1ccc(Cl)c(NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1,2.846444126
Mol1645,Cn1cc(C(=O)N2CCC(CC(=O)O)CC2)cn1,1.027920136
Mol1646,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,2.027019174
Mol1647,N#Cc1cccc(CN2CCN(CCO)CC2)c1,2.100518731
Mol1648,O=C(NCCCn1ccnc1)N1CC2(CCCC2)c2ccccc21,2.873165344
Mol1649,CC(C)CCN1CCn2c1nc1c2c(=O)n(C)c(=O)n1C,1.998734361
Mol1650,Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,1.510558414
Mol1651,N#CCN1CCCN(Cc2ccc(C#N)cc2)CC1,2.426488489
Mol1652,Cc1cc(C(=O)Nc2ncccc2C)c2ccccc2n1,1.765996201
Mol1653,COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)cc1,2.950275747
Mol1654,O=c1[nH]c2ccccc2n1C1CCN(CCc2ccncc2)CC1,2.504750787
Mol1655,NCCn1cc(NC(=O)c2ccccc2)cn1,1.027920136
Mol1656,Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCC1,2.50408193
Mol1657,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,3.038249682
Mol1658,COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)c(OC)c1,2.91044777
Mol1659,Cc1ccc(C(=O)Nc2ccccc2C#N)cc1,2.237164067
Mol1660,CCCCN(C)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1,2.724528179
Mol1661,Cc1cccc(NC(=O)c2noc3c2CCCC3)n1,3.029332228
Mol1662,CN(C)c1cccc(C2CCN(c3ncccn3)CC2)n1,3.351413426
Mol1663,O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1,1.283753383
Mol1664,O=C(O)c1cnn(-c2ccncc2)c1C(F)F,1.027920136
Mol1665,Cc1cccc(OCC(=O)Nc2ccn(C)n2)c1,2.680598368
Mol1666,CNCCN1CCC(OCc2ccccc2)CC1,2.154019011
Mol1667,c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1,2.664452988
Mol1668,CNc1nc(C2CCNCC2)nc2c1CN(C)CC2,1.464370301
Mol1669,Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)nc1,3.12093635
Mol1670,COc1cc(CCNC(=O)c2nc3cccc(C)n3c2F)cc(OC)c1,2.914215125
Mol1671,Cc1cc(C(=O)NC2CCN(c3ncnc4sc(C)c(C)c34)CC2)on1,2.566037781
Mol1672,Cc1ccc(CN(C)Cc2c(C)noc2C)o1,3.104535933
Mol1673,CC(=O)N1CCc2cc(Nc3nccc(C(F)(F)F)n3)ccc21,2.433196795
Mol1674,CCc1csc(NC(=O)c2ccc3c(c2)nc(C)n3C)n1,2.031832452
Mol1675,CC(C)c1noc(CN(C)C2CCCC2)n1,2.817506534
Mol1676,CN(C)Cc1ccc(-c2ccccc2C(=O)O)cc1,1.027920136
Mol1677,CCCN1CCCN(C(=O)c2nc3ccccc3[nH]2)CC1,2.227326129
Mol1678,CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1,2.292880475
Mol1679,CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)COc2ccccc21,2.015812259
Mol1680,C=CCn1cc(CNCc2csc3ccc(Cl)cc23)c(C)n1,3.505014919
Mol1681,C=C(C)COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1,3.339503514
Mol1682,NC(=O)C1(CCCc2ccccn2)CCNCC1,1.925827575
Mol1683,c1cc(CC2CCNCC2)c2cccnc2c1,2.149302267
Mol1684,CCOc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1,1.729375404
Mol1685,COCCN(Cc1cccs1)Cc1cccc(C)c1O,3.322859097
Mol1686,COc1cc2c(cc1OC)CN(CN1C(=O)c3cccc4cccc1c34)CC2,2.7024021
Mol1687,CCNC(=O)c1ccnc(-c2ccc(F)c(C)c2)c1,3.029882321
Mol1688,COc1cccc(NC(=O)C2CNC2)c1,1.773925339
Mol1689,Nc1ccnn1Cc1ccc(Cl)c(F)c1,1.563065578
Mol1690,Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,2.224209228
Mol1691,O=C(O)c1cc(Cl)cc2cccnc12,1.027920136
Mol1692,O=C(NC1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1,2.089092256
Mol1693,Oc1cccc(CN2CCN(c3ncc(Br)cn3)CC2)c1,2.480900497
Mol1694,Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)O,1.027920136
Mol1695,Cc1ccccc1NC(=O)CN1C(=O)CCC1=O,1.027920136
Mol1696,CN(Cc1c(F)cccc1Cl)C(=O)C1(C#N)CCCC1,3.098164526
Mol1697,COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1,2.989325652
Mol1698,CC(C)N1CC[C@H](c2nnc(-c3cncn3C)o2)C1,1.898834838
Mol1699,C#CCN1CCN(Cc2nc(O)cc(C(F)(F)F)n2)CC1,1.027920136
Mol1700,CCc1cc2c(Nc3cnn(CC)c3)ncnc2s1,2.00858314
Mol1701,CS(=O)(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.027920136
Mol1702,O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)Cc2ccccc2)CC1,3.823444232
Mol1703,CCc1nnc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1,1.51913204
Mol1704,CC1CC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.208543468
Mol1705,O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3sccc23)CC1,2.530508335
Mol1706,O=C(CSCCCn1c(=O)[nH]c2ccccc21)N1CCCCC1,2.880727296
Mol1707,CCOC(C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.879800964
Mol1708,O=C1CCCN1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.19529066
Mol1709,CC(=O)NCc1ncc(-c2ccccc2C(=O)O)cn1,1.027920136
Mol1710,Cn1cc(NC(=O)c2csc(Cc3ccccc3)n2)cn1,1.811286721
Mol1711,CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,2.886557838
Mol1712,Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1,1.027920136
Mol1713,Cc1cc(F)ccc1C(=O)NCc1ccc(O)c(O)c1,1.923616999
Mol1714,Cc1ccc(OCc2nc3cc(N)ccc3[nH]2)cc1,1.691108027
Mol1715,Cc1cc(Cl)c(OCCCN2CCNCC2)c(Br)c1,2.66329376
Mol1716,CC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,2.418869481
Mol1717,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,2.122412495
Mol1718,Cc1csc(NC(=O)c2cccc(C)c2C)n1,2.961711002
Mol1719,CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl,2.417979595
Mol1720,c1ccc(Cc2cccc3cc4c(nc23)OCCNC4)cc1,3.048037621
Mol1721,Oc1ccccc1NCc1ccccn1,2.778411749
Mol1722,COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1,1.419162396
Mol1723,CCCc1cc(-c2nn3c(C4CCCC4)nnc3s2)n(C)n1,3.347750248
Mol1724,C/N=C(\NC#N)NCCSCc1nc[nH]c1C,1.027920136
Mol1725,Cc1cc(C)nc(CNC(=O)CC2CCNCC2)n1,1.027920136
Mol1726,Cc1nnc(-c2cccc(C(=O)O)c2)o1,1.027920136
Mol1727,O=C(c1cccs1)N1CCCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)C1,3.690644678
Mol1728,Cc1ccsc1-c1nc(CN(C)CCc2cn[nH]c2)c(C)o1,3.084477612
Mol1729,Cc1nc(C#N)c(C#N)n1Cc1csc(-c2cccs2)n1,3.231910288
Mol1730,O=C1CSc2ccc(C(=O)Nc3cc(C4CC4)n[nH]3)cc2N1,2.382882966
Mol1731,CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1,2.903508879
Mol1732,CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.71993755
Mol1733,Fc1ccc(-c2cc(C3CCNCC3)ccn2)cc1,1.027920136
Mol1734,CCC(CC)NC(=O)c1ccc(C#N)c(C)n1,1.699013432
Mol1735,Cc1cc(Oc2cnccn2)ccc1N,1.494418988
Mol1736,CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1,2.471762431
Mol1737,CCc1cnc(CCNc2cncc(Cl)n2)s1,2.932178385
Mol1738,Cc1cccc(OCCn2c(N)nc3ccccc32)c1,3.341612954
Mol1739,O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(COCc2ccco2)c1,2.628298996
Mol1740,C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1,2.82465617
Mol1741,O=C(Nc1ccccc1)Nc1ccccc1,1.960965202
Mol1742,Cc1noc(-c2ccccc2C(=O)O)n1,1.027920136
Mol1743,C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(Br)cc1,2.493792531
Mol1744,Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1,1.817624858
Mol1745,O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCOCC1,3.474290146
Mol1746,c1ccc(-c2ccc(Cn3ccnc3-c3cc4n(n3)CCCNC4)cc2)cc1,2.600990311
Mol1747,CNc1cc(C)nc(-c2ccnc3c2ccn3C)n1,1.914776706
Mol1748,CS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1,1.991101974
Mol1749,O=C(Nc1cccc2cnccc12)c1cccc(F)c1,2.119028122
Mol1750,NCc1ccc(Oc2ccccc2)nc1,1.702990278
Mol1751,O=C(c1ccc(F)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1,2.124628105
Mol1752,Nc1cnn(CC(=O)N2CCCCC2)c1,1.027920136
Mol1753,Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1,1.795024484
Mol1754,CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,1.975441
Mol1755,Cc1noc(C2CCN(CC(N)=O)CC2)n1,1.473282548
Mol1756,CN(NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1,3.279867166
Mol1757,COc1cc2c(c(OC)c1OC)CCNC(=O)C2,1.027920136
Mol1758,Cc1nn(C)c2nc(C(C)C)cc(C(=O)O)c12,1.027920136
Mol1759,CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,1.027920136
Mol1760,O=C(C1CC1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.366900885
Mol1761,O=C(C1CC1c1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.076226338
Mol1762,Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1,2.468424138
Mol1763,Cc1ccn(-c2ccc3[nH]c4c(c3c2)CCCC4=O)n1,2.709644718
Mol1764,COc1cc(CN(C)C(=O)Nc2cccc(C)c2C)ccc1O,2.135615992
Mol1765,CSCC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1,2.98222011
Mol1766,O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc2C1,3.500597596
Mol1767,CCC(=O)N1CCCC(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2C)C1,3.17909284
Mol1768,O=C(C1CC1)N1CCCC(C(=O)N2CCc3ccccc3C2Cc2ccccc2)C1,3.64244879
Mol1769,O=C(C1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1,3.652849871
Mol1770,O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCc2ccccc2C1,3.004011237
Mol1771,O=C(C1CCCN(c2ccc(Cl)nn2)C1)N1CCc2ccccc2C1,3.217462624
Mol1772,O=C(C1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1,3.181841302
Mol1773,CC(=O)N1CCCC(C(=O)N2CCc3c(cccc3C(C)C)C2)C1,2.704202011
Mol1774,CSc1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,3.669126847
Mol1775,CCONC(=O)c1cnn(-c2cccc(Cl)c2)c1,2.649659971
Mol1776,Cc1ccc(NC(=O)c2cccc3cccnc23)cc1,2.379945155
Mol1777,Cc1cnn(Cc2cc(F)ccc2F)c1N,1.027920136
Mol1778,CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OC,2.187043863
Mol1779,O=C(Cn1ccnc1)NCc1ccccc1F,1.027920136
Mol1780,C#CCN1CCN(C(=O)CCS(C)(=O)=O)CC1,1.027920136
Mol1781,Cc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1,2.356763722
Mol1782,CC(C)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1,2.784010711
Mol1783,CC(C)CCNC(=O)c1ccc2ccccc2n1,2.805974993
Mol1784,Cc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1,2.429548808
Mol1785,Nc1nccc2ccc(-c3cccc(F)c3)cc12,2.897845283
Mol1786,Cc1ccc2oc([C@H]3CCN(Cc4ccc(C#N)cc4)C3)nc2c1,2.544928336
Mol1787,COc1ccc(-c2ccc(CNc3ccc(CN4CCC(C)CC4)cc3)cc2)cc1,1.517341079
Mol1788,c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1,3.505462287
Mol1789,Cc1ccc(NC(=O)c2cc(F)cc(F)c2)nc1,2.454623847
Mol1790,CCONC(=O)Cc1coc2c(C)c(C)ccc12,3.024431891
Mol1791,O=C(NCc1cccc(O)c1)Nc1ccccc1F,1.76993092
Mol1792,O=C(NCCc1ccc(O)c(O)c1)Nc1ccccn1,2.172144462
Mol1793,N#CC1(NC(=O)C2CCCCCC2)CC1,1.027920136
Mol1794,Fc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1,2.818103112
Mol1795,CCOc1cc2c(cc1CCC(=O)N1CCC(Cc3ncncc3C(N)=O)CC1)CCC2,3.217347844
Mol1796,CC(=O)n1c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc2ccccc21,2.158657953
Mol1797,Cc1nc2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)ccc2n1C,1.393452355
Mol1798,Cc1ccc(OCC(=O)Nc2ccncc2)c(C)c1,2.705552413
Mol1799,Fc1ccc(-c2nnc(CN3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1,2.362456085
Mol1800,Cc1cc(C(=O)NCC2(c3ccccc3)CC2)on1,2.037653547
Mol1801,Cc1cc(F)ccc1NC(=O)Cn1cncn1,1.027920136
Mol1802,Cc1ccc(-c2nnc(SCCn3cccn3)[nH]2)cc1,2.480632049
Mol1803,Cc1cccnc1NC(=O)c1csc(-c2ccccc2)n1,2.664205582
Mol1804,CC(c1ccccc1)N1CC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O,2.657034807
Mol1805,CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1,2.148278664
Mol1806,O=C(Nc1ccccn1)c1cccc2ccccc12,2.144885418
Mol1807,O=C(CN1CCSC1=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1,2.543166258
Mol1808,CC(=O)N1CCC(c2ccc(C(=O)O)cn2)CC1,1.027920136
Mol1809,CCS(=O)(=O)CC(=O)Nc1cc(C)ccc1C,1.027920136
Mol1810,O=C(Nc1cccc(Cl)c1F)c1cccc(N2CCCC2=O)c1,2.951315658
Mol1811,Cc1ccc2cc(C(=O)N(C)CCC#N)[nH]c2c1,2.087809802
Mol1812,CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1,2.264328967
Mol1813,CCCc1nnc2sc(-c3cc(C(C)C)nn3C)nn12,2.772900136
Mol1814,Oc1ccc(-c2noc(-c3cccnc3)n2)cc1,1.899426505
Mol1815,CONC(=O)c1cn(-c2ccc(Br)cc2)cn1,2.665532212
Mol1816,CC1(C(=O)O)CCN(Cc2ccccc2)CC1,1.027920136
Mol1817,CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2nc[nH]n2)cc1,1.293030906
Mol1818,COc1ncc(-c2cccc(N(C)C)c2)c(OC)n1,3.348596113
Mol1819,O=C1C(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1c1ccccc1,2.143732823
Mol1820,O=C(NCCc1cccc2cccnc12)C1CCCCC1,2.957114776
Mol1821,CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1,3.167441401
Mol1822,Cc1nc(C2CCN(CC(N)=O)CC2)no1,1.027920136
Mol1823,CN(C)[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1O,1.245315216
Mol1824,O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1,2.71009112
Mol1825,CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cnn(C)c1,2.128295853
Mol1826,COc1ccc(N)cc1N1CCOC1=O,1.027920136
Mol1827,CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],1.929096918
Mol1828,COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1,2.410868299
Mol1829,COc1ncccc1NC(=O)c1cccc(C)n1,2.26479658
Mol1830,O=C(NCc1ccc(O)cc1)Nc1ccncc1F,1.027920136
Mol1831,N#Cc1cccc(CN2CCOC[C@H](O)C2)c1,1.079325987
Mol1832,NC(=O)CN1CCC(CCc2ccccc2)CC1,2.663650051
Mol1833,O=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1,3.036170009
Mol1834,COc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1,2.221990307
Mol1835,Cc1nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2[nH]1,2.291031231
Mol1836,COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F,1.954932007
Mol1837,c1nc(Nc2ccc3c(c2)OCCCO3)c2sccc2n1,3.196558892
Mol1838,CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1,2.289501996
Mol1839,CN1CCN(C(=O)C2(NC(=O)c3cc(Cl)c4c(c3)OCO4)CCCC2)CC1,1.576249182
Mol1840,COCc1ccc(-c2nc3c([nH]2)c(C)nn3C2CCCCC2)o1,2.685304538
Mol1841,N#Cc1cccnc1Nc1cnn(Cc2ccccc2)c1,2.929307528
Mol1842,COCc1nc(C2CCN(CCO)CC2)no1,1.859606578
Mol1843,CN(CCC#N)Cc1cc(C#N)ccc1F,1.027920136
Mol1844,Cc1cccnc1NC(=O)CCc1ccc(F)cc1,2.882886394
Mol1845,COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2,2.508843375
Mol1846,CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1,2.539204109
Mol1847,CC(=O)N1c2ccccc2C[C@H]1C(=O)O,1.027920136
Mol1848,C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,1.796504952
Mol1849,O=C(Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1,2.986506599
Mol1850,Cn1ccc2c(NC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)cccc21,2.890300272
Mol1851,Cc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C,3.42223599
Mol1852,O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,2.739014285
Mol1853,COc1ccc(CN(C)c2ncncc2Br)cc1O,2.325086493
Mol1854,O=C(NCc1ccc(O)c(O)c1)c1ccc2ccccc2n1,2.497681405
Mol1855,COc1ccc2c(c1)CN(c1nc(C)cc(C)n1)CC2,2.684467433
Mol1856,Cc1ccc(F)cc1C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1,1.789756932
Mol1857,COc1ccc(CCCNc2nnc(C)o2)cc1,2.180283615
Mol1858,Cn1c(=O)c2c(ncn2C)n(C)c1=O,1.027920136
Mol1859,CC(C)c1nc(S(=O)(=O)N2CC3(CC3)c3ccccc32)c[nH]1,3.492901407
Mol1860,NC(=O)COc1ccccc1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1,3.027327179
Mol1861,CN1CCC(O)(CNC(=O)C2CCCCCC2)CC1,2.661105317
Mol1862,Cc1cc(-n2ccnc2)ccc1C(=O)O,1.027920136
Mol1863,O=C1CC(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccccc1,3.1082077
Mol1864,O=C(NCc1cnn2cccnc12)c1ccccc1-n1cnnc1,1.027920136
Mol1865,Brc1nnc(N2CCC(OC3CCCC3)CC2)s1,3.492200892
Mol1866,Cc1ccc(CCNc2ccc(C#N)nc2)cn1,1.653983907
Mol1867,Cn1cc(CNc2ncccn2)c(C(C)(C)C)n1,2.559899447
Mol1868,[2H]c1nc(C)nc([2H])c1-c1cc(NC[C@@H](C)c2cccc3c(C(=O)NC)ccnc23)ncn1,1.947002154
Mol1869,CC(=O)Nc1ccccc1CN1CCC(c2nnc3ccccn23)CC1,2.058422228
Mol1870,O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCNC1,2.535463753
Mol1871,CCc1cc(=O)[nH]c(SCCN2CCCCC2)n1,2.64412137
Mol1872,CCCn1ncc(CN2CCC(c3cc4cccnc4[nH]3)CC2)c1C,2.303200379
Mol1873,O=c1cc2c(n[nH]1)-c1cnc(N3CCCC3)nc1CC2,2.012630569
Mol1874,O=C(c1ccc(-c2ccncc2)cc1)N1CCC(O)(CN2CCCC2)CC1,1.880870733
Mol1875,Cc1nc2cc(-c3nccn3C)nn2c(NCCCN(C)C)c1C,2.778638834
Mol1876,CN(C)CCSc1nnnn1-c1ccc(Br)cc1,3.239850821
Mol1877,Cc1ccc(Nc2ccnc(Nc3ccc(C)cc3)n2)cc1,2.678859671
Mol1878,Cc1cnn(CC(=O)NCCCn2cc(Cl)cn2)c1,1.674291502
Mol1879,CN(CCCC1CCCC1)Cc1cc(=O)[nH]c(=O)[nH]1,2.217210121
Mol1880,C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,2.495082047
Mol1881,CC(C)N(C(=O)Cn1cccc2cc(C(F)F)nc1-2)C(C)C,2.639586087
Mol1882,Cc1noc2ncnc(N3CCCN(C(=O)C4CC4)CC3)c12,2.171749849
Mol1883,CCn1ncc(CN(C)C(=O)c2ccc(-c3nc(C)cc(C)n3)cc2)c1C,2.444113528
Mol1884,O=c1c2cccc(C(F)(F)F)c2ncn1C1CCCC1,2.500527371
Mol1885,COc1cccc(C)c1C(=O)N(C)Cc1ncc[nH]1,2.628094532
Mol1886,COc1ncnc(C)c1-c1cccc(OC(C)C)c1,3.025720705
Mol1887,Fc1cccc(N2CCCC2)c1CN1CCN(Cc2ccon2)CC1,3.538634048
Mol1888,O=S1(=O)CCN(C2CCN(CC(F)(F)F)CC2)CC1,1.302850213
Mol1889,CC(C)n1cnnc1SCOCc1ccccc1,2.340824699
Mol1890,CCn1nccc1CNc1ncccn1,1.027920136
Mol1891,CCn1c(CN2CCCCCC2)nc2ccccc2c1=O,3.350809136
Mol1892,C#CCNC(=O)N(Cc1ccccc1F)C1CCOCC1,1.549799964
Mol1893,CCc1cccc(C)c1NC(=O)c1ccc(C)o1,2.234919503
Mol1894,Cc1ccc2occ(CN3C[C@H]4CCCN4C[C@H]3C)c(=O)c2c1,2.980279322
Mol1895,COCC1(CNS(=O)(=O)c2ccccc2)CCC1,2.998378797
Mol1896,CCC(C)(C)N1CCN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1,2.201618312
Mol1897,Cn1cc(-c2cccc3c(C(N)=O)cccc23)cn1,1.628971005
Mol1898,O=c1c2cnccc2ncn1Cc1ccc2c(c1)CCCO2,2.449104884
Mol1899,CN(CCNC(=O)NC1CCOCC1)C1CCCC1,2.26421553
Mol1900,Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(CC4CC4)C[C@H]23)c1,3.368017111
Mol1901,COc1ccc(Cl)cc1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1,3.026313815
Mol1902,Cc1noc(NCc2c(C)nn(C)c2C)n1,1.027920136
Mol1903,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1,3.35585976
Mol1904,Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1S(=O)(=O)N(C)C,3.587440541
Mol1905,CC(C)Oc1ccc(C#N)cc1NC1CCN(C)CC1,2.000815707
Mol1906,CCc1cc(NS(C)(=O)=O)n(C)n1,1.027920136
Mol1907,Cc1ncc(-c2ccccn2)c(CCNC(=O)C2CCCC2)n1,1.957583345
Mol1908,O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)C1CC=CC1,2.591758923
Mol1909,Cc1nccc(NC(=O)c2ccc(Cl)nc2Cl)n1,1.182072104
Mol1910,O=c1c2ccccc2nnn1CCOc1ccc(F)cc1,2.09252415
Mol1911,COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1,2.897660624
Mol1912,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
Mol1913,O=C(Nc1ccc(COC2CCCC2)cc1)N1CCC(CO)CC1,2.517033502
Mol1914,COC[C@@H](O)Cn1c(C)nc2ccccc21,1.027920136
Mol1915,c1nn(C2CCOCC2)cc1Nc1ncc2nnn(-c3ccc4cn[nH]c4c3)c2n1,2.883853277
Mol1916,C1CN(c2nc3c(c(N4CCSCC4)n2)SCC3)CCS1,3.183513834
Mol1917,Cc1cc(C)n2nc(C)c(C(=O)NCC3CC3)c2n1,2.02382017
Mol1918,CCN(CC)C(=O)CSCc1cncc(F)c1,2.921820644
Mol1919,Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cccnc4)o3)C2)cc1,2.771756463
Mol1920,CC1(C)[C@H]2CC=C(CN3CCC4(CCC(=O)N4)CC3)[C@@H]1C2,2.292278229
Mol1921,O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1,2.777962291
Mol1922,CC(C)c1nsc(N2CCC(Nc3cccnc3)CC2)n1,2.60535246
Mol1923,COc1cccc(Oc2ccc(NC(=O)CN3CCOCC3)cn2)c1,2.140545751
Mol1924,Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2c(C)noc2C)n1,2.762027009
Mol1925,CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCNc4ccccn4)[C@H](O)[C@@]3(O)[C@@H]1C2,3.30226186
Mol1926,CC(=O)Nc1ccc(CNCCOc2ccc(F)cc2F)cc1,2.057768771
Mol1927,CCCc1cc(O)nc(SCC(=O)N2CCN(C)CC2)n1,1.027920136
Mol1928,CN1CCC(O)(CNS(=O)(=O)CC2CCCCC2)CC1,2.588020584
Mol1929,COCCCNc1ncc(-c2cc(C)no2)c(C(C)C)n1,3.77518235
Mol1930,Nc1ccnc2ccc(Oc3ccccc3)cc12,3.368232757
Mol1931,Cc1ccc(-c2ccc(N(C)CCO)nn2)c(-n2cccn2)c1,1.902051869
Mol1932,COc1ccc(-c2cc(C(C)(C)C)nc(-c3ncccn3)n2)cc1,1.877739821
Mol1933,O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1ncc(Cl)cn1,1.575441879
Mol1934,Cc1nc2ncc3c(n2n1)CCCC3=O,1.027920136
Mol1935,O/N=C1/CCCc2c1cnc1ncnn21,1.027920136
Mol1936,CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1,2.839462963
Mol1937,CCc1cc(CNC(=O)Nc2ccc(N3CCSCC3)cc2)on1,3.155026758
Mol1938,CCCN(CCC1=CCCCC1)C(=O)Cc1n[nH]c(=O)[nH]1,3.10539538
Mol1939,C/C(=C/COc1c2occc2cc2ccc(=O)oc12)CO,2.645545073
Mol1940,Cc1cc(-c2nc(N(C)C)no2)cc(O)n1,1.501114059
Mol1941,CCc1cnccc1C(=O)Nc1cnccn1,1.234871459
Mol1942,CN(C)c1nccc(N2CCN(CCCCCF)CC2)n1,3.159829375
Mol1943,CC(=O)NC1CCC(NCCc2c(C)cccc2C)CC1,3.055740984
Mol1944,Cc1nnc2ncc(-c3cccc4ccnn34)cn12,1.598910824
Mol1945,O=C(CC/C=C/c1ccccc1)Nc1ccccc1N1CCOC1=O,2.889610922
Mol1946,COc1cc(CN2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)cc(OC)c1OC,1.027920136
Mol1947,Cc1ccnc(NCc2cccnc2)n1,1.217904874
Mol1948,CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@@H]2O)CC1,1.986426848
Mol1949,c1nc(N2CCC3(CCCCC3)C2)c2cn[nH]c2n1,2.851225317
Mol1950,CC(C)(C)CCCNC(=O)N1CCN(Cc2ccon2)CC1,2.794642079
Mol1951,COc1ccc(-c2nn(C)c3ccccc23)c(OC)c1OC,3.102548267
Mol1952,COCC1(CNC(=O)c2cc(Cl)cnc2O)CCC1,2.676555528
Mol1953,COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,2.396649106
Mol1954,CCSCCC(=O)NCCn1nc(C)c(CC)c1C,3.187317062
Mol1955,Cc1cccc(NCCc2cc(F)cc3c2OCOC3)n1,3.714726815
Mol1956,COCC1(CNS(=O)(=O)c2ccc3[nH]cnc3c2)CCC1,2.934497441
Mol1957,Clc1ccc(CSc2nc(-c3ccccc3)c[nH]2)cn1,3.458937447
Mol1958,CCc1ccccc1S(=O)(=O)NCCc1cn[nH]c1,2.726353865
Mol1959,Fc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1,2.792201119
Mol1960,CC(C)c1nnc(CN(C(C)C)C2CCOCC2)o1,2.343310103
Mol1961,CNc1ncc(CN(C)CCN2CCCCC2)cn1,1.757213769
Mol1962,C#CCOc1ccc(OC)cc1C(N)=O,1.8650862
Mol1963,Cc1cc(C)nc(N2Cc3ccccc3C2=N)n1,3.066215194
Mol1964,O=C(O)c1csc(Cc2ccc(Cl)cc2)n1,1.027920136
Mol1965,CCOc1cc(N(C)CC2CCN(C)CC2)ncn1,2.748801035
Mol1966,O=C(c1cc(F)ccc1F)N1CCN(C(=O)C2CC2)CC1,1.295984701
Mol1967,Cc1ccnc(N2CCC(OCC3CCCC3)CC2)n1,3.771624148
Mol1968,Fc1cc(Br)ccc1CNCc1ccccn1,2.648480035
Mol1969,CN(CCSc1ccc2nnnn2n1)Cc1ccccc1,1.027920136
Mol1970,Cc1cccc(NCCN2C(=O)CCC2=O)n1,1.697891616
Mol1971,Cc1ncsc1CNc1nnc(-c2ccncc2)o1,1.788627886
Mol1972,c1ccc(-c2nc(CSc3ccc(-n4cccn4)nn3)cs2)cc1,2.622862389
Mol1973,CCS(=O)(=O)N(C)c1ccc(N(C)C)cc1,3.474097618
Mol1974,Cc1ccc(CN)c(-n2cc(Cl)cn2)n1,1.437433444
Mol1975,Cc1nccc(NC(=O)c2ccncc2Cl)c1Cl,1.892762235
Mol1976,COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(F)cc1F,3.301822511
Mol1977,CCc1nc(CNc2ccc(C#N)nc2)cs1,2.035977764
Mol1978,O=c1oc2cccnc2n1Cc1ccccn1,1.027920136
Mol1979,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3)C2)n1,2.821966583
Mol1980,CC(C)CCCNC(=O)c1[nH]ncc1Br,2.870509832
Mol1981,COc1cccc(C)c1C(=O)N[C@H](CO)CCSC,2.869796522
Mol1982,N#Cc1cccc(CNCc2ccccn2)c1,1.481084152
Mol1983,CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3ccc(F)cc3F)CC2)OC[C@]1(C)O,1.188394071
Mol1984,O=C(CCc1cn[nH]c1)NCCCn1cc(Cl)cn1,1.446148676
Mol1985,Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N(C)C)n1,2.563052513
Mol1986,C[C@@H](NC(=O)N1CCC2(CCOCC2)CC1)c1ccc(F)cc1,2.375389236
Mol1987,CSc1ncccc1C(=O)Nc1ccc(-c2nnc(C)[nH]2)cc1,1.644162759
Mol1988,CCc1c(C(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)[nH]c2ccc(C)cc12,3.111775834
Mol1989,COc1cccc(Cn2cnc3c(c2=O)COCC3)c1Cl,2.139690222
Mol1990,CN(Cc1cnc2ccccc2n1)S(=O)(=O)N1CCCC1,3.203587918
Mol1991,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
Mol1992,CCN1CCC(CCNc2ncc(C)c(N(C)C)n2)CC1,2.509163528
Mol1993,Cc1cc(C(=O)N(C)CCCC2CCCC2)cc(C)n1,3.752342439
Mol1994,CC(=O)N1CCC2(C=Cc3cc(C)c(C)cc3O2)CC1,3.00812048
Mol1995,Cc1ccc(=O)n(CCOc2cc(F)cc(Br)c2)n1,2.954910808
Mol1996,COCC(=O)Nc1cc(C#N)cn1C(C)(C)C,1.18568378
Mol1997,Cn1nc(CNC(=O)C2CCC2)c2ccccc21,2.167323243
Mol1998,COc1nc2c(cc1CNC(=O)N1CCC[C@@H]1CO)C(=O)N(C1CCCC1)C2,1.839320894
Mol1999,CN(Cc1ccc(N)nc1)c1nc(C(F)(F)F)cs1,2.066150681
Mol2000,CC(C)c1nnc(CNc2ncc(Br)cn2)n1C,1.027920136
Mol2001,Cn1cc(CN2CCc3nc4ccccc4c(=O)n3CC2)cn1,1.298460069
Mol2002,Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1,2.428572109
Mol2003,NC(=O)CN1CCC(COc2ccccc2C(F)(F)F)CC1,3.044293538
Mol2004,Nc1nnc(SCCSC2CCCCC2)n1C1CC1,2.76529593
Mol2005,Cc1cccnc1CN1CCC(O)(c2ccccc2)CC1,2.834842076
Mol2006,CCc1nccn1Cc1nc(N)nc(N(C)C)n1,1.239149265
Mol2007,O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,2.89828573
Mol2008,CC1(C)CC(CC(=O)NCCn2ccnn2)CC(C)(C)N1,1.027920136
Mol2009,Cc1nc(NCc2cn(C)nc2-c2cccs2)n(C)n1,1.445370649
Mol2010,CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCOCC1,1.614433159
Mol2011,CCc1cc(CNC(=O)NC2CCN(CC3CCCCC3)CC2)on1,1.905153405
Mol2012,Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2[nH]c(C#N)cc12,2.235889367
Mol2013,Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1,1.393627842
Mol2014,Cc1ccnc(-n2nccc2NC(=O)NC2(C)CCC2)c1,2.969096132
Mol2015,CCOC(=O)c1cccnc1SCc1cccnc1,3.099884622
Mol2016,O=c1c2ccccc2cnn1Cc1cccc(OCC(F)(F)F)c1,1.710091967
Mol2017,O=c1c2oc3ccccc3c2ncn1Cc1ccc(Cl)cc1,2.957348165
Mol2018,Cc1cc(NC(=O)[C@H](C)N(C)C)c2ccccc2n1,2.03661692
Mol2019,CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(-c4cnco4)c3)cc2CC1C,2.438528109
Mol2020,Cc1cc(Nc2nnc(C)s2)cc(C2CN(C(=O)c3c(C(C)C)noc3C)CCO2)n1,2.178170885
Mol2021,COc1ccc2nc(C)nc(NCc3ncc(C)o3)c2c1,2.471197799
Mol2022,CC(C)c1cc(N(C)Cc2nc(C3CC3)n[nH]2)n[nH]1,1.565186432
Mol2023,Cc1nsc(NCc2cncs2)n1,1.226135722
Mol2024,CCCc1noc2nc(-c3ccncc3)cc(C(=O)O)c12,1.258254054
Mol2025,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(Br)cc3C2=O)n1,1.744605875
Mol2026,CC(C)OCCS(=O)(=O)N1CCc2ccccc2CC1,3.496730851
Mol2027,COC(=O)CCCNC(=O)CN1CCC(C(=O)c2ccc(C)cc2C)CC1,3.280152289
Mol2028,COc1cc(Br)c2c(=O)[nH]c(C)nc2c1,2.170801314
Mol2029,CSc1nnc(CCCNc2cc(C)ccn2)n1C1CCCC1,3.508117314
Mol2030,CC(=O)N1CCN(Cc2nc(O)cc(C(F)(F)F)n2)C(C)(C)C1,1.027920136
Mol2031,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)COc2ccc(F)cc2)n1,2.388197148
Mol2032,Cc1ncsc1-c1cncc(CC2CCCN(C)C2)n1,2.032151179
Mol2033,CC(=O)NCCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1,2.858805992
Mol2034,COC(C)(C)C(=O)Nc1ccnc(C(C)(C)C)n1,2.023737939
Mol2035,CCCN(CCC1=CCCCC1)C(=O)c1cc(C(F)F)n[nH]1,3.298136445
Mol2036,COc1cccc(C(=O)Nc2nccs2)c1,2.781770449
Mol2037,CCC(CC)N1CC[C@H](O)[C@@](O)(COc2cc(C)ccc2Cl)C1,3.667870235
Mol2038,CSc1ccc(C)c(C(=O)NCCN2CCC(C)CC2)c1,3.242039762
Mol2039,Cc1cnn(CCNC(=O)C2(Cn3cccn3)CC2)c1,2.03343984
Mol2040,C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1,2.506747142
Mol2041,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)C2CCCC2)n1,2.396668271
Mol2042,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)c2ccccc2-c2ccccc2)n1,2.358298512
Mol2043,CCn1nccc1-c1cc(C)nc(N2CCCC2)n1,2.599547947
Mol2044,c1ccc(NCc2ccc3c(c2)OCCCO3)nc1,3.851427568
Mol2045,CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,3.581057068
Mol2046,c1ccc(N2CCOCC2)c(CNc2cc(N3CCCC3)ncn2)c1,3.181840445
Mol2047,c1cc(-c2nnc(NCc3cncs3)o2)ccn1,1.96109347
Mol2048,CC1=CCN(C(=O)c2cc(C)nc3cc(C)cc(C)c23)CC1,3.329441815
Mol2049,Cc1nc2n(c1CN1CCN(c3ncccn3)CC1)CCCC2,3.072682506
Mol2050,O=C(Nc1ccn(CC(F)F)n1)NC1CCN(C2CCCC2)CC1,1.027920136
Mol2051,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1,1.946098397
Mol2052,CCc1nc(CN2CCC(=O)Nc3cc(F)ccc32)n[nH]1,1.207795885
Mol2053,CCCNC(=O)C1(NCc2csnn2)CCCCC1,2.180630442
Mol2054,O=c1c2ccncc2ncn1[C@H]1CCN(Cc2ccccc2)C1,2.901184144
Mol2055,Cc1nc(-c2cccc(-c3ccc(C(=O)NC[C@@H]4CCCN4)cc3)c2)no1,1.479258507
Mol2056,C[C@@H]1NC(=O)N(CCC2Cc3ccccc3C2)C1=O,2.285147574
Mol2057,NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1.447778009
Mol2058,COCCc1n[nH]c(-c2ccc(N3CCN(C)CC3)cc2)n1,1.698848385
Mol2059,CCCn1cc(NC(=O)Nc2ccc(N3CCSCC3)cc2)cn1,2.907583862
Mol2060,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
Mol2061,COc1cccc(F)c1NC(=O)N1CCC(N2CC=CC2)CC1,2.560247466
Mol2062,O=C(NCCN1CCc2ccccc2C1=O)c1ccon1,1.750438964
Mol2063,Cc1nnc2ncc(-c3cccc(-c4ccnn4C)c3)cn12,1.49159979
Mol2064,O=C(Cn1cc(NCc2cccc(Cl)c2)cn1)N1CCOCC1,1.856849679
Mol2065,COc1nc2c(cc1CNC(=O)N1CC[C@@H](O)C1)C(=O)N(C1CCCC1)C2,1.027920136
Mol2066,CCc1nc(N2CC(CO)C2)c2ccsc2n1,1.698917886
Mol2067,CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12,2.684616489
Mol2068,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
Mol2069,O=C(c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc12)N1CCOCC1,3.303574442
Mol2070,Clc1ccc2c(NCCN3CCOCC3)ncnc2c1,2.329078398
Mol2071,O=C(NCc1cccs1)c1cccnc1,1.027920136
Mol2072,COc1cc(OC)cc(-c2c(C)ncnc2OC)c1,2.030190734
Mol2073,O=C(Cc1cccnc1)Nc1ncccc1Cl,1.492886051
Mol2074,CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc4cc(C)ccc4o3)CC[C@@H]2O)CC1,2.18355738
Mol2075,O=C(NCc1nc(-c2cnccn2)n[nH]1)C1Cc2ccccc2C1,1.278845022
Mol2076,COc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1ccn(C(F)F)n1,1.027920136
Mol2077,CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(OCC3COC3)cc2n1,1.858140016
Mol2078,CC(C)(O)CCn1cc2cc(NC(=O)c3ccn(C(F)F)n3)c(OCC3COC3)cc2n1,1.124927879
Mol2079,CNC(=O)c1ccc(N2CCCc3cc(OC)ccc3C2)nn1,2.93425346
Mol2080,C[C@H](c1nc(=O)c2cnn(C3CCOCC3)c2[nH]1)N1CC(Oc2ccccc2)C1,2.206599228
Mol2081,CCN1CCN(C(=O)CNc2ncnc3onc(C)c23)CC1,1.027920136
Mol2082,O=C(NN1CCOCC1)c1ccc(Cl)c(Cl)c1,1.027920136
Mol2083,O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1nccs1,2.709309826
Mol2084,O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1,2.855272561
Mol2085,Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,1.874377435
Mol2086,COc1ccc(CC2CN3CCN(C(=O)OCc4ccccc4)CC3CO2)cc1,2.935136799
Mol2087,Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCc3cnn(C)c3C)c2)o1,3.138216778
Mol2088,Cc1noc(C)c1-c1cc(-c2ccccc2Cl)nc(C2CC2)n1,2.160243372
Mol2089,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)COC)n1,1.027920136
Mol2090,CCCc1ccc(-c2cccc(C(=O)N3CCN(CC(N)=O)CC3)c2)cc1,2.849214197
Mol2091,C[C@@]12CCCN1C(=O)[C@H](C1CCCCC1)NC2=O,1.317143662
Mol2092,Cc1nc(C)c(CNc2ncnn2C)s1,1.352143912
Mol2093,CC(=O)c1ccccc1-c1cccc(C(=O)NCCCN2CCCC2)c1,2.870664872
Mol2094,CN1CCC(Cc2cccc(-c3nccs3)n2)C1,3.306892099
Mol2095,COCCCNc1nnc(-c2ccncc2)s1,1.924542885
Mol2096,O=c1cc2c(n[nH]1)-c1cnc(N3CCCCC3)nc1CC2,2.039826404
Mol2097,CC(C)N(C)S(=O)(=O)N1CCC(CNC(=O)CCCn2cccn2)CC1,2.455434186
Mol2098,Oc1ccc2nc(/C=C/c3csnn3)ccc2c1Cl,2.380290855
Mol2099,CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1,2.078300908
Mol2100,CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12,3.310521897
Mol2101,Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1,2.93863929
Mol2102,O=C(NCCc1cnn[nH]1)C1Cc2ccccc2C1,1.027920136
Mol2103,CC1CCC(O)(CSc2nncn2C(C)C)CC1,2.33018642
Mol2104,C[C@]1(O)CN(C(=O)Cn2cnc3ccccc32)CC[C@@H]1Oc1ccccc1,2.256782669
Mol2105,CN(C)c1ccncc1CN1CCN(c2ccc(C(N)=O)cc2)CC1,1.027920136
Mol2106,COc1ccccc1/C=C/CN1C[C@H]2CCCN2C[C@@H]1C,3.161578509
Mol2107,CSC1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1,3.43872046
Mol2108,O=C(CN1CCCC1=O)NCC1(CO)CCCC1,1.027920136
Mol2109,CN(CCc1ccncc1)c1ncccc1C#N,2.741716366
Mol2110,CCCc1noc(CN2CCN(c3ccccc3OC)CC2)n1,2.545714
Mol2111,CCOCCNC(=O)c1cccc(-c2cc(F)ccc2OC)c1,2.913366617
Mol2112,CCN(Cc1cnn(C(C)C)c1)C(=O)NCCC(C)(C)OC,2.211504986
Mol2113,Cc1oc2ncnc(NCc3cc(F)cc4c3OCOC4)c2c1C,3.309033241
Mol2114,CN(Cc1cnc2ccccc2n1)S(=O)(=O)N1CCCCCC1,3.760281616
Mol2115,CCc1c(C)nn(CCNC(=O)CCc2cnccn2)c1C,2.811035153
Mol2116,CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1,2.376343324
Mol2117,CC1=C(Br)CN(CCc2nc3ccccc3c(=O)[nH]2)CC1,3.311621646
Mol2118,CN1CCCn2c1cc(OCc1cc(F)c(Oc3ccc(C(F)(F)F)nc3)c(F)c1)nc2=O,2.100267129
Mol2119,Cc1cc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)sc1C,2.981010403
Mol2120,CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1,2.752265157
Mol2121,CCN(CCOC)C(=O)Nc1ccc2occc(=O)c2c1,1.514640711
Mol2122,COc1ccc(N)c(OCc2ccccc2)c1,2.849197603
Mol2123,COc1ccc2nc3c(cc2c1)CNCCO3,1.9159114
Mol2124,Cc1ccc(-n2nc(NCc3cnn(C)c3)cc2C)cc1,1.847541813
Mol2125,C#Cc1cccc(N(CCC(=O)NC(N)=O)Cc2cccs2)c1,3.030717892
Mol2126,CCCNC(=O)CSc1nc2cc(C)ccc2[nH]1,3.073910717
Mol2127,CCCn1cnnc1CN(C)Cc1ccc(C(F)(F)F)nc1,1.469983926
Mol2128,CC(C)CCn1ccc(NC2CCN(C(C)C)CC2)n1,2.181168765
Mol2129,CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O,2.645137231
Mol2130,Cc1cc(C)c2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cc2n1,1.224714305
Mol2131,CCCc1nn(CCCN2CCCCC2)c(=O)o1,3.203114514
Mol2132,COCc1nn(CCCN2CCCCC2)c(=O)o1,2.568772974
Mol2133,Cc1noc(C)c1CS(=O)(=O)C1CCCc2ccccc21,3.146576988
Mol2134,Cc1nnc2ccc(NCCOC3CCCCCC3)nn12,2.954687674
Mol2135,NCCOc1cccc(CC(=O)N2CCCN(C(=O)C3CCC3)CC2)c1,1.027920136
Mol2136,C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccc2ccccc12,3.280922392
Mol2137,Cn1cccc(C(=O)NCc2nc(C(C)(C)C)no2)c1=O,2.13664448
Mol2138,Cc1nnc2ccc(N3CCC4(CCCCC4)C3)nn12,2.778047731
Mol2139,COC(=O)N[C@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1,1.822965298
Mol2140,N#Cc1c(F)cccc1Oc1cccnc1,1.479056784
Mol2141,CCn1cnnc1CN(C)C1CCN(c2ccccc2F)CC1,2.531992103
Mol2142,CSc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1,3.42412161
Mol2143,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,3.76762999
Mol2144,Nc1ncnc2ccc(-c3ccnc(F)c3)nc12,1.027920136
Mol2145,Cc1ccc(C(=O)NCCc2ccc(F)cc2)o1,2.146078399
Mol2146,CCCc1ccc(C(=O)CSc2nncs2)cc1,3.099159728
Mol2147,O=C(O)c1cnn(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1,1.027920136
Mol2148,Cc1ncc(C)n2nc([C@@H]3C[C@H]3c3nc4c5cccnc5ccn4c3C)nc12,1.914433075
Mol2149,O=C(c1cccc(Nc2ncccn2)c1)N1CCOCC(Cc2cccc3ccncc23)C1,3.217539478
Mol2150,Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1Cl,3.018893476
Mol2151,CC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1,1.788111782
Mol2152,COCC1(C(=O)N(C)Cc2ccc3ccccc3n2)CCC1,3.620792936
Mol2153,O=C(CC1c2ccccc2CCc2ccccc21)NCCN1CCOCC1,3.305804777
Mol2154,COc1ccccc1-n1cc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cn1,2.708621428
Mol2155,Cc1cc(C(=O)N(C)C2CCSCC2)c(=O)n(C)c1C,1.751132774
Mol2156,CC(C)c1nccn1Cc1nc2ccccc2[nH]1,2.377286212
Mol2157,O=C(Nc1ccc(Cl)nc1)NC1CCN(C2CCCC2)CC1,1.027920136
Mol2158,Cc1cc2nc(Sc3nnc(C)n3C)c3ccccc3n2n1,1.543732888
Mol2159,CCCS(=O)(=O)NC1CCN(Cc2ccc(C)c(OC)c2)CC1,2.901865724
Mol2160,C[C@@H](NC(=O)N1CCC2(CCN(C)CC2)C1)c1ccc(F)cc1,1.027920136
Mol2161,CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O,1.482530584
Mol2162,CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)C3CC3)CC2)n1,2.44365094
Mol2163,CC(C)Nc1ccc(-c2cc3c(cc2CO)OCCO3)cn1,3.757414175
Mol2164,O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1,1.037346804
Mol2165,Cc1ccc(NC(=O)OCC(F)(F)F)cn1,1.547122159
Mol2166,COc1ncccc1C(=O)Nc1nc(C)nn1C,1.027920136
Mol2167,O=C(Cc1n[nH]c2ccccc12)N1CCCO1,1.499934395
Mol2168,Cc1ccc(C)c2nc3c(cc12)CNCCO3,2.369666622
Mol2169,CN(CCSc1ccc2nnc(C(F)F)n2n1)Cc1ccccc1,3.502383279
Mol2170,CCOC(=O)c1ccc(N2CCSCC2)nc1,3.474911453
Mol2171,N#Cc1ccccc1NC(=O)CCc1ccccc1,2.658640906
Mol2172,COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1,3.159346381
Mol2173,CN1CCc2ccc(C(=O)NCCC(=O)Nc3cccnc3)cc21,1.937758543
Mol2174,CCCc1cc(C(=O)Nc2ccc(-c3nnc(C)[nH]3)cc2)no1,2.462724345
Mol2175,CC(C)N1CCN(CCCSc2ccccn2)CC1,3.034584343
Mol2176,CS(=O)(=O)NC1CCCN(c2nc3ccccc3o2)C1,1.626165793
Mol2177,Cc1cc(C)c(NC(=O)CN(C)c2ccc(C#N)nc2)c(C)c1,1.878946691
Mol2178,Cc1nc(-c2ccccc2)nc(O)c1C,1.735087664
Mol2179,O=C(CSCCc1ccccn1)Nc1ccccc1,3.427032427
Mol2180,O=C(NCC1CCC2(CC1)OCCO2)c1[nH]nc2c1CCCC2,3.104764944
Mol2181,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1.798878435
Mol2182,COc1cc(OC)cc(C(=O)NCc2noc(-c3ccccc3)n2)c1,2.797784646
Mol2183,CC(C)N(C)S(=O)(=O)NCCCc1nc2cc(Cl)ccc2[nH]1,3.398339897
Mol2184,CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cn(C)nn1,2.462612097
Mol2185,Cc1noc(NCc2ccc(F)cc2C)n1,1.834395268
Mol2186,COc1ccc(CC(=O)Nc2ccc(F)nc2)cc1,1.883434294
Mol2187,CC(=O)NC1CCC(NCCSc2ccc(C)cc2)CC1,2.698079657
Mol2188,CCOc1cc(N2CCOC3(CCCC3)C2)ncn1,2.800129146
Mol2189,CN(CCn1cnc(C#N)c1C#N)c1ccccc1,3.024705633
Mol2190,O=C(c1ccccc1N1CCOCC1)N(Cc1ccccn1)C1CCCCC1,3.584255442
Mol2191,COc1cccc(Cc2cnc(N)s2)c1,2.449390451
Mol2192,Clc1cnc(NCC2(CN3CCCC3)CC2)nc1,2.128648012
Mol2193,COc1cc(OC)c(OC)cc1CNC(C)(C)C,2.042862847
Mol2194,CC(=O)Nc1ccccc1OCCOc1ccc(Cl)cc1,2.822593009
Mol2195,Cc1ccsc1-c1nsc(NC(=O)CN(C)C)n1,2.738890703
Mol2196,Fc1c(CN2CCC(c3nnc4ccccn34)CC2)cccc1OC1CC1,2.077785645
Mol2197,CC1CCN(C(=O)CCn2ccc3ccncc32)CC1,3.293048379
Mol2198,Cc1cc(NC(=O)CN(C)CCOc2ccccc2)on1,2.793825993
Mol2199,Cc1nc(NCCN2C(=O)CCC2=O)c2c(C)csc2n1,2.197906043
Mol2200,O=C(NC[C@]1(O)CCN(Cc2ccsc2)C[C@H]1O)c1c[nH]cn1,1.027920136
Mol2201,O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@H]3CCC[C@@H]3C(=O)O)cc2)cc1,1.375736752
Mol2202,Cc1cc(Br)cn(Cc2ccc(C#N)cc2F)c1=O,2.009990242
Mol2203,CC1CCC(CNC2(CCO)CCOCC2)CC1,3.078732968
Mol2204,COCCN(C)C(=O)c1ccc(-c2cccc(-c3noc(C)n3)c2)cc1,1.87602144
Mol2205,Cc1[nH]nc(CCC(=O)NCCCOC2CCCCC2)c1C,3.639721403
Mol2206,COc1cccc(CC(=O)N2CCOC(c3cc(Nc4nnc(C)s4)cc(C)n3)C2)c1,2.488580326
Mol2207,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CCn3ncc4ccccc43)C2)n1,3.36208683
Mol2208,Cc1cc(Br)ccc1CN(C)C(=O)CO,1.455819024
Mol2209,CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O,2.165499544
Mol2210,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)c2oc3ccc(Cl)cc3c2C)n1,2.924283422
Mol2211,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)C2CN(Cc3ccc(Cl)cc3)C2)n1,1.452920564
Mol2212,CNCc1cc(NC)nc(C2CCCN2C(=O)C(C)(C)c2ccc(C)cc2)n1,2.184384762
Mol2213,Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1,1.451479405
Mol2214,Cc1cc(Cl)n(-c2ccc(C#N)cc2)n1,2.491841954
Mol2215,Cc1ccccc1NC(=O)Cn1nnc(C2CC2)n1,1.710726474
Mol2216,Fc1cc(-c2ccncc2)ccc1CNc1ncccn1,2.377051137
Mol2217,Cc1ccc(-n2cc(C)cn2)c(NC(=O)CN(C)C)c1,2.639512387
Mol2218,c1ccc(OCCN2CCN(c3ncccn3)CC2)cc1,2.712684208
Mol2219,CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)NS(=O)(=O)c3ccccc3)cc1)C2,1.237895455
Mol2220,CC(=O)N[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O,2.219951086
Mol2221,O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1,1.719480446
Mol2222,Cc1cccc2ncn(CCc3ncc[nH]3)c(=O)c12,3.350864511
Mol2223,CCNc1ccnc(-c2cccc(C(=O)NCCCc3cnn(C)c3)c2)n1,2.80180283
Mol2224,CC(=O)c1ccc2c(c1)CCN(CCC1OCCO1)CC2,1.750060756
Mol2225,COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cnc(C)o2)CC1,2.454536935
Mol2226,CS(=O)(=O)Nc1ccccc1-c1ccncc1,2.000230115
Mol2227,CN(Cc1ccc(N)nc1)c1nc2cc(F)ccc2o1,1.764101376
Mol2228,c1ccc(-c2noc(Cn3ccnc3)n2)nc1,1.027920136
Mol2229,O=C(Nc1nccs1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1,2.697221494
Mol2230,O=C(c1ccc(O)cc1)N1CCN(c2ncnc3c2CCC3)CC1,2.251536021
Mol2231,Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O,2.189970103
Mol2232,COc1cc2cc3c(nc2cc1OC)OCCN(C1CCCCC1)C3,3.224549636
Mol2233,Cc1ccccc1S(=O)(=O)Nc1c(C)ccnc1Cl,2.288787846
Mol2234,Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N2CCN(C)CC2)n1,3.664309735
Mol2235,Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(-c2ccn[nH]2)c1,2.608807271
Mol2236,COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1,1.399414105
Mol2237,CNc1ncnc2c1ncn2[C@H]1CC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)[C@H](O)[C@H]1O,1.298547435
Mol2238,Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)C2CC2)CC1,2.648008529
Mol2239,O=S(=O)(c1cccnc1)N1CCC2(Cc3ccccc3C2)C1,3.705029888
Mol2240,CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2,2.184980864
Mol2241,CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C)(C)C1,2.820328904
Mol2242,COc1ccccc1/C=C/CN1CCCC2(C1)OCCO2,3.337657494
Mol2243,c1cc(CNc2ncc(-c3cnccn3)c(C3CC3)n2)ccn1,3.117910332
Mol2244,CC(C)N(C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1,2.921467453
Mol2245,O=C(NC1CCCC1)C1=CCN(C(=O)C2CC2)C1,1.571522499
Mol2246,O=C(CNc1cc(N2CCCC2=O)ccc1F)N1CCCCCC1,2.594275397
Mol2247,Cc1cnccc1-c1cnc(N(C)C)nc1-c1ccco1,3.352055299
Mol2248,Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21,2.330436096
Mol2249,CCCCN1CCc2nc3cc(C4CC4)nn3c(O)c2C1,1.027920136
Mol2250,CN(C)C(=O)c1ccnc(NCc2cccc(C#N)c2)c1,1.839006415
Mol2251,Cc1cnc(NCC2(CO)CCCC2)nc1N(C)C,3.020552695
Mol2252,c1cnc(NCc2cccc(-c3cccnc3)c2)nc1,2.169342269
Mol2253,Cc1cc(C(=O)NCC2CCC3(CC2)OCCO3)[nH]n1,1.996362796
Mol2254,Cn1cc(CN2CCCC(c3ccnc(Nc4cnccn4)c3)C2)cn1,2.253381626
Mol2255,COCc1ccc(SCC(=O)NC2CCCC2)cc1,3.406091177
Mol2256,Cc1ccc2nc(CN(C)Cc3cccc(Cl)c3Cl)cc(=O)n2c1,3.678935993
Mol2257,O=c1c2cccnc2ncn1[C@H]1CCN(Cc2ccccc2)C1,2.208779845
Mol2258,CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC,2.320447486
Mol2259,OC1CCN(c2nccc(-c3cccs3)n2)CC1,2.817179158
Mol2260,Cc1c[nH]c(C(=O)NCC2(N3CCCCC3)CCCC2)n1,2.281137949
Mol2261,CC(=O)NCc1cc2n(n1)CCN(C1Cc3ccccc3C1)C2,1.027920136
Mol2262,Cc1nc2ncc3c(n2n1)CC(C)(C)CC3=O,1.027920136
Mol2263,CCc1cc(-c2ccc(OC)c3nc(C)ccc23)nc(N2CCOCC2)n1,2.021474599
Mol2264,Cc1nc(N2CCNCC2)c2cnn(C)c2n1,1.177853809
Mol2265,Cc1ccc(OCN2CCCCC2=O)nc1,1.027920136
Mol2266,CC1CCC(N(Cc2nnc(C3CCC3)o2)C2CCC(O)CC2)CC1,3.208045043
Mol2267,CCN1CCCN(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1,2.457959064
Mol2268,COc1cc(C)cc(OC)c1-c1ccc(-c2nn[nH]n2)cc1,1.919904036
Mol2269,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
Mol2270,COC(=O)N1CC(NCc2c(C)nn(C(C)(C)C)c2C)C1,1.78651008
Mol2271,CC(C)n1cc(CN2CCC(c3nc(N(C)C)no3)CC2)cn1,2.253820018
Mol2272,Cc1n[nH]c(C)c1CCCN(C)c1cncc(C(=O)N(C)C)n1,2.723184667
Mol2273,Cc1cnc(N2CCSCC2)nc1N1CCSCC1,3.421202842
Mol2274,Cc1ncccc1CNc1ccc(CC#N)cc1,2.561029791
Mol2275,Cc1nc(CN2CCC(CNC(=O)COc3ccccc3Cl)CC2)c[nH]1,1.764101376
Mol2276,CC(C)CCN1CCC(CNS(C)(=O)=O)CC1,1.027920136
Mol2277,CC(=O)c1cc(Br)cc(F)c1OCc1ccccn1,2.499662344
Mol2278,O=c1oc2cccnc2n1Cc1ncc(-c2ccc(F)cc2)o1,1.027920136
Mol2279,CC(COc1ccccc1Cc1ccccc1)N1CCCCC1,3.459669714
Mol2280,CN(CC1(CO)CCCC1)C(=O)CCN1CCCCC1=O,2.051198845
Mol2281,CN(C)c1ccc(-c2ccc(C(=O)NCCN3CCCC3=O)cc2)nn1,1.875206004
Mol2282,Cc1nn(CCNS(=O)(=O)N2CCCCC2)c(C)c1C,3.505661873
Mol2283,CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,2.947691967
Mol2284,Cc1ncn(Cc2noc(-c3ccccc3O)n2)c1C,2.683729479
Mol2285,c1cncc(-c2nnc3n2[C@H]2CN(Cc4cccs4)C[C@H]2CC3)c1,2.535470081
Mol2286,O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1,3.40330999
Mol2287,COc1cc(CN2CCC(C(=O)N3CCOCC3)CC2)ccc1C,2.358239508
Mol2288,COc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccccc1)C(C)C,3.622840034
Mol2289,C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N,2.268123784
Mol2290,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,2.475316636
Mol2291,COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)c1,2.761214951
Mol2292,COc1cccc(C(=O)N(C)CC(F)(F)F)c1OCCCN,1.914142097
Mol2293,Cc1csc(Cc2nc(-c3ccc(O)cc3)no2)n1,2.458749618
Mol2294,COc1ccc(C)cc1S(=O)(=O)NCCC(=O)Nc1ccccc1C,3.333076707
Mol2295,CN(C)c1cncc(-c2ccc(C(=O)NC(C)(C)C)cc2)n1,2.683949828
Mol2296,COC(C)(C)CCNC(=O)CC1CC(C)(C)NC(C)(C)C1,1.613471827
Mol2297,CCOc1ccc2[nH]c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c(C)c2c1,2.974696793
Mol2298,O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1coc(-c2cn[nH]c2)n1,2.714584561
Mol2299,CC(=O)c1ccc2c(c1)CCN(CC1CCC3(CC1)OCCO3)CC2,2.359412361
Mol2300,C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,1.831594655
Mol2301,Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4cccc(C)c43)c2n1,2.459891338
Mol2302,CCN(Cc1nc(C)no1)C(=O)c1cc(C)c(C)n(C)c1=O,1.027920136
Mol2303,Cc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)c(O)cn1,1.027920136
Mol2304,COCC(=O)Nc1ccc(C)c(NC(=O)[C@H](OC)c2ccccc2)c1,1.652720034
Mol2305,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,2.034720679
Mol2306,COCC1(CNC(=O)c2ccc(-n3cccn3)cc2)CCC1,2.691908606
Mol2307,O=c1n(CCn2ccnc2)nnn1-c1cccs1,1.745168514
Mol2308,CN(C)C(=O)C(C)(C)NC(=O)OC(C)(C)C,1.385945713
Mol2309,OCCOc1ccccc1OCc1ncc(Cl)cc1Cl,2.503203512
Mol2310,Cn1c(=O)c(C(=O)CSc2nc3ccccc3n2C)c(N)n(Cc2ccccc2)c1=O,3.380791722
Mol2311,CCC(=O)Nc1ccc(F)c(NC(=O)N2CC=C(C)CC2)c1,1.836083478
Mol2312,O=C(c1n[nH]c2c1COCC2)N1CCC2(C=Cc3ccccc32)CC1,2.939548704
Mol2313,Cc1cc(C#N)cc(N2CCc3c(ncn3CCc3ccccc3)C2)n1,3.53502295
Mol2314,CCCC(=O)Nc1ccc(C(=O)N(C)C)cc1,1.704605172
Mol2315,Cc1cc(Cn2cnc(C#N)c2C#N)c2ccccc2n1,1.564476685
Mol2316,CCCc1cc(CNC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)on1,1.95595219
Mol2317,CSC1(CNc2cc(C)nc(C)n2)CCOCC1,1.881664204
Mol2318,CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.027920136
Mol2319,Cc1ncc(CCN2C(=O)NC3(CCCC3)C2=O)s1,1.803218051
Mol2320,CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn(C)n1,2.615611317
Mol2321,CCCn1cc(CN2CCC(c3nc(N(C)C)no3)CC2)cn1,2.163831985
Mol2322,O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1CCC1,3.217774167
Mol2323,COCCNc1c(C)c(C)nc2cc(-c3nccn3C)nn12,1.901093077
Mol2324,N#Cc1ccnc(Nc2ccc(F)cc2)c1,2.267950412
Mol2325,COc1cccc(OC)c1-c1ccc(OCCN2CCCC2)cc1,3.360202297
Mol2326,O=c1c2sccc2nc2n1CCN(Cc1ccc(F)cc1F)CC2,3.163096047
Mol2327,N#CCn1ncnc1-c1cccc(C#N)c1,1.705709801
Mol2328,CN1CCC(N(Cc2cccnc2)C(=O)NCCCc2ccccc2)CC1,3.058604413
Mol2329,Cc1nn(CCNS(=O)(=O)N2CCOCC2)c(C)c1C,2.422458514
Mol2330,Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OC1CCCCC1,2.812344392
Mol2331,CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.027920136
Mol2332,CC(C)(C)C(=O)N1CCC(CN(CC(N)=O)C2CCCC2)CC1,3.148166599
Mol2333,C[C@@H](c1ccccc1)N(C)C(=O)NCCN(C)CCO,3.058071307
Mol2334,Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1,3.788869608
Mol2335,O=C(c1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1)N1CCCC1,2.749437925
Mol2336,CS(=O)(=O)NCCN1CCc2c(Cl)cc(Cl)cc2C1,2.601777608
Mol2337,O=C1c2ccccc2C(=O)N1CCNc1ccc(F)cc1,2.789224529
Mol2338,CCc1nc(C)cc(N2CCCC3(CCNCC3)CC2)n1,1.027920136
Mol2339,O=C1CCCN1CCCc1nc(Cc2c(Cl)cccc2Cl)n[nH]1,2.581408016
Mol2340,Cc1cc(C(=O)N(C)c2nc3ccccc3s2)cc(O)n1,1.207311151
Mol2341,CC(=O)N1CCN(C(=O)CS(=O)(=O)C23CC4CC(CC(C4)C2)C3)CC1,2.47457754
Mol2342,CCc1nnc(N2CC(N(C)C)C2)c(C#N)c1CC,2.113451988
Mol2343,CCc1nnc(Nc2cc(C)nc(C3CN(C(=O)C(C)C)CCO3)c2)s1,2.117218249
Mol2344,O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1,2.85820082
Mol2345,O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1cnc2c(c1)CCC2,2.456939652
Mol2346,Cc1nc(NCc2ccc(F)cc2)n(C)n1,1.027920136
Mol2347,Cc1cc(C(=O)Nc2nnc3n2CCCC3)n(C)n1,1.056752441
Mol2348,Cc1csc2nc3n(c(=O)c12)CCNCC3,2.357198971
Mol2349,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1,1.6658623
Mol2350,COCC(=O)Nc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1,1.94899457
Mol2351,Cc1ccc(O)c(CN2CCC(c3nc4ccccc4o3)CC2)n1,2.360602879
Mol2352,Cc1cnc(C(C)(C)NCC(=O)N(C)C)s1,1.320644711
Mol2353,Cc1nccc(NC(=O)CCc2ccncc2)c1Cl,1.863816367
Mol2354,Cc1cccc(-c2cccc(C(=O)NCCC3(O)CCCC3)c2)n1,3.46334627
Mol2355,Cc1ccc(S(=O)(=O)N2CCOc3ccncc32)cc1,3.320042791
Mol2356,COc1ccc(-c2nc(NC(C)C)ncc2-c2ncc[nH]2)cc1,3.063681556
Mol2357,N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F,3.224952911
Mol2358,CN(CCN1CCCCC1)c1cncc(C(N)=O)n1,1.978723616
Mol2359,CCOc1cccc(NS(C)(=O)=O)n1,1.027920136
Mol2360,CN1CCc2nc(C(=O)N[C@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1,1.027920136
Mol2361,CCCc1cc(C)nc(O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C,2.370840491
Mol2362,CCOc1ccnc(NCCCc2nc3cc(F)ccc3[nH]2)n1,3.515722344
Mol2363,CCCc1ncncc1C(=O)NCc1nncn1CCC,1.588350153
Mol2364,CCc1cc(-c2ccc(OC)c3ncccc23)nc(N2CCOCC2)n1,1.979156696
Mol2365,C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1,2.542907549
Mol2366,COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O,1.450787792
Mol2367,Cc1nn(C(F)F)c(C)c1CC(=O)NCCNC(C)(C)C,2.403123954
Mol2368,CN(CC1(CO)CCC1)C(=O)CCN1CCCCC1=O,1.662889988
Mol2369,Cc1cc(C)cc(OCCN(C)C(=O)NCCS(=O)(=O)N(C)C)c1,3.039175688
Mol2370,CC(C)CN(Cc1cnn(C)c1)C(=O)c1cccc(-c2cnccn2)c1,3.676246468
Mol2371,O=c1c2c(C(F)(F)F)cccc2ncn1CCc1ncc[nH]1,2.409195718
Mol2372,CCCCN1CCN(C(=O)c2cccc(-c3ccc(CO)cc3)c2)CC1,2.430244417
Mol2373,O=C(Nc1cnc2ccccc2n1)c1ccncc1,2.103451355
Mol2374,COc1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.702611455
Mol2375,COc1cc2nc(CN3CCC(CO)CC3)[nH]c(=O)c2cc1OC,1.027920136
Mol2376,COCc1noc(CNC(=O)N(C)[C@@H](C)c2ccccc2)n1,1.802855789
Mol2377,CC(C)=CCOc1cccc(C(=O)NN2CCOCC2)c1,2.770149948
Mol2378,Cc1n[nH]c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2,2.741363571
Mol2379,CC#CCCNC(=O)c1cccnc1C,1.333245699
Mol2380,O=C(Nc1cncc2ccccc12)c1ncccn1,1.155578931
Mol2381,Cn1nc(-c2cc(F)cc(F)c2)cc1N,1.687858793
Mol2382,O=C(O)c1ccc(CCC(=O)N2CCc3c(F)cc(F)cc3C2)cc1,1.027920136
Mol2383,Cc1ccc(CNc2ncnn2C)nc1,1.027920136
Mol2384,CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,2.392375069
Mol2385,COc1ncc(C(=O)NCc2cnn3cccnc23)cn1,1.027920136
Mol2386,CCn1nc(CNC(=O)C2CCOCC2)c2ccccc21,2.051025111
Mol2387,CN(C)CC(C)(C)CNc1cn[nH]c(=O)c1Br,1.642889703
Mol2388,Cc1ccc(Oc2ccc(N)cc2)nn1,1.027920136
Mol2389,COCCN1CCOc2nc3c(C)cccc3cc2C1,2.945691092
Mol2390,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
Mol2391,O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCc1ncc[nH]1,3.522116889
Mol2392,O=C(O)c1ccccc1COc1cccc2cccnc12,1.093211492
Mol2393,O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCCc1c[nH]cn1,2.776049981
Mol2394,Cc1cc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cnc1C,2.049679216
Mol2395,CCc1ccc(CC)c(C(=O)CSc2nncs2)c1,3.189669385
Mol2396,OCc1cnnn1-c1cncc(Cl)n1,1.027920136
Mol2397,CCNc1nc(-c2cccnc2)nc(C)c1C,1.843768306
Mol2398,C#CCNC(=O)Cc1coc(-c2ccccc2)n1,2.150805545
Mol2399,Cn1cnnc1NC(=O)c1cnn2c1CCCC2,1.027920136
Mol2400,N#Cc1ccc(C(=O)N2CCCO2)nc1,3.007036027
Mol2401,CN(C)C1(CNC(=O)Cn2ccc(=O)cc2)CCCCC1,1.207957343
Mol2402,O=C(OCC1CCSCC1)c1cccc(-n2cccn2)n1,3.342119161
Mol2403,CCOc1cc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1OC,2.447449531
Mol2404,O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(-c2cnco2)cc1,2.277641298
Mol2405,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
Mol2406,COCCc1nsc(Oc2ccc(C)cc2Br)n1,3.662283814
Mol2407,CCc1c(-c2ccccc2)[n+]([O-])c2c([n+]1[O-])CCCCC2,1.637209449
Mol2408,Cn1cc(NC(=O)c2cnn3cccnc23)c(C2CCCCC2)n1,2.274889527
Mol2409,Cn1c(SCOCc2ccccc2)nnc1C1CC1,2.433529826
Mol2410,COc1cc(-c2ccc(Cn3nc(C)cc3C)cn2)cc(OC)c1OC,2.537741041
Mol2411,Cc1cc(N2CCN(CC3CCN(C(=O)CC(C)C)CC3)CC2)n[nH]1,1.027920136
Mol2412,Cc1ccc(=O)n(CC2(O)CCN(Cc3cccs3)CC2)n1,2.207200664
Mol2413,C=CCNc1ncc(-c2cnccn2)c(C2CC2)n1,2.865584809
Mol2414,COCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1,1.027920136
Mol2415,CCC(C)(C)N1CCN(C(=O)NCCc2cc(C)no2)CC1,2.437779092
Mol2416,CCCC1(CNC(=O)Cn2ccc(=O)cc2)CCC1,1.164174342
Mol2417,Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2ccncc2C)n1,2.865972879
Mol2418,CN1CCC(CNC(=O)c2ncoc2-c2ccc(F)cc2)CC1,1.699941736
Mol2419,COc1ccc2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2c1,2.815961405
Mol2420,Cc1cccc(NC(=O)CSc2nncs2)c1,2.443677521
Mol2421,CCOc1ccc(OCCN2CCN(C(C)=O)CC2)cc1,1.242093984
Mol2422,COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2ncccc2Cl)CC1,3.2507417
Mol2423,CN(CCO)C(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1,1.734551819
Mol2424,COc1ccc(OC)c(Cn2cnc3cn(C)nc3c2=O)c1,1.7059321
Mol2425,Cc1cc(C(=O)N(C)CC2CCN(CCO)CC2)cc(C)n1,1.465739659
Mol2426,Cc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1C,1.798906038
Mol2427,CCn1nc(CNC(=O)c2nc(C)c[nH]2)c2ccccc21,2.372549326
Mol2428,O=c1cc(-c2cc(F)c(Cl)nc2Cl)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12,1.286950216
Mol2429,CCOc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1,3.322280298
Mol2430,Cc1nccc(N(C)Cc2ccc(N)nc2)n1,1.027920136
Mol2431,COCCN(C)c1ccc(CN2CCOC3(CCCC3)C2)cn1,2.801295294
Mol2432,CC(=O)N1CCC(CNc2nccc3cccnc23)CC1,1.907266213
Mol2433,Cc1c(C(=O)Nc2ccc(CO)cc2)nnn1Cc1ccc(Cl)c(Cl)c1,1.706068842
Mol2434,O=C(C1CC1)N1CCC(CNS(=O)(=O)N2CCCCCC2)CC1,3.121809582
Mol2435,CN(Cc1ccc(CO)cc1)Cc1cc(F)c(F)c(F)c1,2.569665293
Mol2436,CN(C)c1cncc(-c2ccc(S(=O)(=O)N(C)C)cc2)n1,3.385993749
Mol2437,COc1ccc(=O)n(Cc2noc3c2CCCC3)n1,2.431087014
Mol2438,CCc1cc(=O)[nH]c(SCCCCC2CCOCC2)n1,2.457488281
Mol2439,O=C(Nc1nnc2n1CCCC2)c1cscn1,1.027920136
Mol2440,Cc1nsc(Nc2ccccc2)c1C#N,2.893243406
Mol2441,COCC(C)(C)C(=O)N1CCCC2(CCNCC2)CC1,1.027920136
Mol2442,Cc1ccccc1CCNC(=O)N(Cc1cccnc1)C1CCN(C)CC1,2.911303592
Mol2443,CCc1nnc(Sc2nc3cc(C)nn3c3ccccc23)[nH]1,2.142401982
Mol2444,COCC(=O)Nc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1,1.884115362
Mol2445,CC(C)N(C(=O)Cn1cccc2cc(-c3ccco3)nc1-2)C(C)C,3.251663037
Mol2446,Cc1cccc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1C,2.756593513
Mol2447,Cc1ccc(=O)n(CCOc2ccc(Cl)c(F)c2)n1,2.799987373
Mol2448,Cc1nc(C)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)s1,1.704476544
Mol2449,Cc1ncccc1NC(=O)OC(C)(C)C,1.32417953
Mol2450,c1ccc(-c2ncc(CNc3ncccn3)s2)nc1,3.316108584
Mol2451,c1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1,1.755951041
Mol2452,NC(=O)c1csc(CN2CCc3cc(F)ccc3C2)c1,2.400698554
Mol2453,COC(=O)C1=NOC2(CCN(CCCCCF)CC2)C1,2.853308145
Mol2454,CCCc1cc(CNS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)on1,3.397385147
Mol2455,CN(Cc1nncn1C)C1CCN(c2ccccc2F)CC1,1.951439522
Mol2456,CC(C)Oc1ccc(CCNC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)cc1,2.692272178
Mol2457,Cc1nc(NCc2sccc2C)n(C)n1,1.33383001
Mol2458,CCc1nnc(N2CCCO2)c(C#N)c1CC,2.166868036
Mol2459,c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1,1.853436583
Mol2460,O=C1NC2(CCCCC2)C(=O)N1Cc1csc(-c2ccccc2)n1,2.935432694
Mol2461,Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c2c1CCC2,3.496669962
Mol2462,Cc1ccc(CCC(=O)Nc2nccc3sccc23)o1,3.057528416
Mol2463,Cc1cc(Nc2ncccn2)cc(C2CCCN(CC(=O)Nc3ccc(F)cc3)C2)n1,2.658694277
Mol2464,N#CC1(C(=O)NCC2(C3CC3)CC2)CCCCC1,3.034711859
Mol2465,O=C(CSc1ccc2c(c1)OCCO2)NC1CCCC1,3.765053253
Mol2466,Cc1cc2nc(CCC(=O)N3CCc4n[nH]cc4C3)[nH]c2cc1C,2.278222981
Mol2467,COc1cccc(C)c1C(=O)N(C)CCCn1cccn1,2.699194911
Mol2468,O=C(c1ccc(Cl)cc1)N1CCC(c2nnc3n2CCCC3)CC1,1.027920136
Mol2469,COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(C)cc4)on3)CC[C@@H]2O)c1,3.025956001
Mol2470,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
Mol2471,CC(C)Oc1cccc(C(C)NC(=O)c2ccnc(-n3cncn3)c2)c1,2.411877176
Mol2472,N#Cc1cc(Oc2ccc3c(c2)CCC3)ncn1,2.4522757
Mol2473,O=C(Nc1cncc(Cl)c1Cl)c1cccc(-n2cccn2)n1,2.173218329
Mol2474,CC1CCC(O)(CSc2nnnn2C2CC2)CC1,2.549866086
Mol2475,CCOCC(=O)Nc1cccc(CN2CCCC2)c1,2.700245823
Mol2476,CC(C)(C)c1cnc(CN2CCC(=O)Nc3cc(F)ccc32)o1,2.977713091
Mol2477,Cc1ccc2c(c1)cc(C(=O)N1CCOC(C(=O)N3CCc4ccccc4C3)C1)n2C,3.399656073
Mol2478,Cc1cc(C)cc(OCCN(C)C(=O)NCCN2CCCCC2=O)c1,3.114870416
Mol2479,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,3.329293921
Mol2480,CN1CCC(CNc2nccc3cccnc23)CC1,3.182323047
Mol2481,COc1cccc(CN(C)c2cc(N3CCCC3)ncn2)n1,3.649253348
Mol2482,CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1,1.818423855
Mol2483,CC(C)Cc1n[nH]c(-c2ccc(N3CCN(C)CC3)cc2)n1,2.373252312
Mol2484,CN(C)C(=O)c1cncc(N(C)CCN(C)C2CCCC2)n1,1.509202522
Mol2485,CCc1ccc(CNc2nncs2)o1,1.670811552
Mol2486,Cc1noc(C)c1CSC(=N)N1CCOCC1,1.027920136
Mol2487,O=C(O)Cc1ccc(Oc2ccncc2)cc1,1.027920136
Mol2488,CCc1[nH]nc(NC2CCC(C(=O)OC)CC2)c1C,2.471828379
Mol2489,CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1,1.750824551
Mol2490,CNCc1cc(NC)nc(C2CCCN2C(=O)COc2ccccc2OC)n1,1.654147652
Mol2491,NC(=O)CCCSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1,2.256012588
Mol2492,CC(C)(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21,1.932016906
Mol2493,Cn1ccc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)n1,2.118800235
Mol2494,COc1ccccc1-c1cc(C(C)(C)C)nc(-c2ncccn2)n1,2.228346454
Mol2495,COc1ccc(OCc2n[nH]c(-c3n[nH]c4c3CCC4)n2)cc1,3.028671682
Mol2496,CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@H]1O,3.303912592
Mol2497,OC1(Cc2nc(-c3ccsc3)no2)CCCCC1,3.01570546
Mol2498,N#Cc1ccc2nc(NCCn3ccnc3)ccc2c1,1.736141429
Mol2499,CN(Cc1cccc(Cl)c1Cl)Cc1cc(=O)n(C)c(=O)n1C,3.441501427
Mol2500,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1,1.953865958
Mol2501,Cc1ccc(C(=O)C2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)c(C)c1,2.971105995
Mol2502,CN1CCNc2nc3ccccc3nc21,2.156709635
Mol2503,CC1(C)CCCN1C(=O)c1c(F)cc(C#N)cc1F,1.842971001
Mol2504,C[C@]1(O)CN(C(=O)Cn2cnc3ccccc3c2=O)CC[C@@H]1Oc1ccccc1,1.650365814
Mol2505,CCN(C)S(=O)(=O)N(C)Cc1cnc2ccccc2c1,3.364869049
Mol2506,N#Cc1ccc2ncnc(N[C@H]3CC[C@H](N4CCOCC4)CC3)c2c1,1.692291584
Mol2507,c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,1.683758266
Mol2508,CO[C@@H]1CC[C@@H](N(C)C(=O)COc2c(C)cccc2C)[C@H]1O,2.209780336
Mol2509,CN(CC1CCC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1,2.099169406
Mol2510,Cc1ccc(C#N)c(NCc2ccccc2-n2ccnc2)n1,2.793372647
Mol2511,Cc1noc(COc2cccnc2C)n1,1.372249014
Mol2512,Cc1cc(C(=O)NCC2CCN(c3ccc4ccccc4n3)CC2)cnc1C,2.67861943
Mol2513,CC(C)Cc1ccccc1CNCc1ccc2[nH]cnc2c1,2.883857249
Mol2514,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,1.921967246
Mol2515,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
Mol2516,OCc1nnc(SCCSC2CCCCC2)n1C1CC1,2.862259024
Mol2517,CC(C)CCNC(=O)CSc1nc2ccccc2[nH]1,3.043819913
Mol2518,O=C(CSc1ccccn1)N1CCSc2ccccc21,3.805995088
Mol2519,COc1ccccc1C(=O)CSc1nncn1C1CC1,2.6651277
Mol2520,OCCC1(CNc2ncc(Br)cn2)CC1,1.913294507
Mol2521,CC(C)Cc1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)n[nH]1,2.453306106
Mol2522,CSc1cnc(N2CCCN(c3ncc(SC)cn3)CC2)nc1,3.267068424
Mol2523,COc1cc(OC)cc(N2CCC(NCC3(C)CCOCC3)CC2)c1,1.765072201
Mol2524,CN(C(=O)CSC(C)(C)C)c1ccccc1C#N,2.836985815
Mol2525,CC(C)Oc1ccc(C2(C(=O)NC3CCS(=O)(=O)CC3)CCCC2)cc1,2.321453434
Mol2526,C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1,1.667508987
Mol2527,COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC,3.04908306
Mol2528,Cc1cc(C)c2ccc(C(=O)N3CCN(c4ncc[nH]c4=O)CC3)cc2n1,1.727378569
Mol2529,Cn1ccnc1-c1noc(NCc2ccccc2)n1,2.285167845
Mol2530,CONC(=O)c1c(C)nn(C)c1Cl,1.027920136
Mol2531,O=c1c2cccnc2ncn1[C@H]1CCCc2ccccc21,2.075134368
Mol2532,CC(C)c1noc(CNC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1,1.867455702
Mol2533,N#CCN1CCC(CNC(=O)c2c(F)ccc(F)c2F)CC1,1.197115081
Mol2534,NS(=O)(=O)N1CCN(Cc2c(F)cccc2N2CCCC2)CC1,3.108690491
Mol2535,CN(CCOc1ccccc1)CC(=O)NCCc1ccccc1,3.73427484
Mol2536,CSc1nccc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1,3.412580487
Mol2537,COCc1ccccc1COC(=O)c1ccc(C)nc1,3.346358648
Mol2538,Cc1ccnc(N2CC(O)(c3ccc(F)cc3)C2)c1C#N,3.560187091
Mol2539,CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1,3.558861267
Mol2540,CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O,2.20306826
Mol2541,OCC1CN(c2nc3cc(F)ccc3o2)C1,1.236159231
Mol2542,Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,1.729496866
Mol2543,COc1nccnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1,2.47454696
Mol2544,COc1ccccc1CNc1cn[nH]c(=O)c1Cl,2.018221845
Mol2545,CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1,2.99170398
Mol2546,NCCOc1cccc(CC(=O)N2CCC(F)(F)CC2)c1,1.027920136
Mol2547,CN(C)C1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1,2.941385201
Mol2548,CCOC1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1,2.591440833
Mol2549,CCCNC(=O)C1(NCc2cncnc2)CCCCC1,2.104049865
Mol2550,COc1ccc(-c2ccc(Cn3nc(C)cc3C)cn2)cc1,2.406013599
Mol2551,Fc1ccc(CCNc2ncnc3ncccc23)cc1,1.905542243
Mol2552,CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1,3.474071815
Mol2553,CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2,3.271781916
Mol2554,NC(=O)c1cccc(Cn2cnc3c(oc4ccccc43)c2=O)c1,1.278639298
Mol2555,Cn1c(=O)n(Cc2cccnc2)c(=O)c2ccc(C(F)(F)F)nc21,1.922798094
Mol2556,COCCN(C)c1ccc(CN2CCc3nn(C)c(=O)cc3C2)cn1,1.341691662
Mol2557,Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCCC3)CC[C@@H]2O)c1,3.352061478
Mol2558,CN(Cc1nc2c(s1)CCCC2)c1cnccn1,3.106013674
Mol2559,Cc1cc(CN2CC(O)(CC#N)C2)ccc1F,2.846716799
Mol2560,Cc1cc(C(=O)NC(C)(C)C#N)nn1-c1ccc(F)cc1,1.294201601
Mol2561,COc1cccc(C(=O)NCC(=O)Nc2cccc3c2CCCC3)c1,2.783220886
Mol2562,Clc1cccc(Cl)c1Cc1n[nH]c(CCCn2cccn2)n1,2.764486232
Mol2563,CN1C(=O)[C@@H]2CN(CC3=CC[C@H]4C[C@@H]3C4(C)C)C[C@@H]2C1=O,3.379188723
Mol2564,O=S(=O)(NC[C@H]1CCCN1)c1ccc(OC(F)F)cc1,1.537403484
Mol2565,C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,2.772600387
Mol2566,CCN1CCN(c2ccc(Nc3ncnc4sccc34)cc2)CC1,1.791978213
Mol2567,Cc1cc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)on1,2.103960996
Mol2568,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1,3.377925553
Mol2569,Cc1[nH]nc(CCC(=O)NCCCOC2CCCC2)c1C,3.382484243
Mol2570,c1ccc2nc(N3CCCC4(CCNCC4)CC3)cnc2c1,2.694700821
Mol2571,Cc1ccccc1C(=O)N1CCC(O)(Cn2ccnc2C)CC1,2.001279283
Mol2572,CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCNS(C)(=O)=O)[C@H](O)[C@@]3(O)[C@@H]1C2,2.12715017
Mol2573,CCN1CCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)c2ccccc21,2.393736608
Mol2574,CN1CCC[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1,2.498719839
Mol2575,Cn1ncnc1NCc1cc(F)cc(F)c1,1.027920136
Mol2576,O=C(NCC1(N2CCCCC2)CCCC1)c1cnn[nH]1,1.027920136
Mol2577,CNC(=O)Cc1cccc(OCCN2CCCCC2)c1,1.757995427
Mol2578,CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCC1,2.030356805
Mol2579,O=C(CSCCc1ccncc1)Nc1ccccc1,2.632281109
Mol2580,C[C@H]1NC(=O)N(CCc2nc(C(F)(F)F)cs2)C1=O,1.394924244
Mol2581,O=C(Cc1cn2ccccc2n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.589565377
Mol2582,Cc1nc(O)c(Cl)c(N(C)CC2CCN(C)CC2)n1,1.027920136
Mol2583,OC1(c2cccnc2F)CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1,2.230987623
Mol2584,CCN(CC(N)=O)CC(=O)N1c2ccccc2CCc2ccccc21,2.828490398
Mol2585,CS(=O)(=O)NCc1cc2n(n1)CCN(C1Cc3ccccc3C1)C2,1.441930675
Mol2586,Cc1cc(N(CCO)CCCO)ncc1Br,2.679317037
Mol2587,Cc1ccc(-c2cnn3c(O)cc(Cn4cccn4)nc23)cc1,2.351527688
Mol2588,Cn1cc(C(C)(C)NC(=O)C#Cc2ccc3c(c2)OCO3)cn1,1.70814885
Mol2589,O=C1CN(C(=O)c2ccc(Cl)cn2)CCN1CCc1ccccc1,2.698271097
Mol2590,Cc1ccc(F)c(-c2noc(N)c2C)c1,2.466183772
Mol2591,Cc1c[nH]c(CNCc2ccccc2CC(C)C)n1,3.431209643
Mol2592,COc1cccc([C@@H](C)n2cnc3cn(C)nc3c2=O)c1,1.827265857
Mol2593,COc1ccc(C)nc1-c1ccc(OC)c(OC)c1OC,2.554897217
Mol2594,CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1,2.751363029
Mol2595,c1cc(-c2noc(CN3CCOCC3)n2)ccn1,1.474667812
Mol2596,Cc1ccc2[nH]c(CNC(=O)c3ncoc3C)nc2c1C,2.387647835
Mol2597,COc1ccc(Cl)cc1-c1cccc(C(=O)NCCN2CCCC2=O)c1,2.942241269
Mol2598,COc1ccc(C(=O)c2ccc(C)cc2)c(OC)c1,3.478520755
Mol2599,COc1ccc(C(=O)c2ccc(Cl)cc2)c(OC)c1,3.241915623
Mol2600,Cc1cccc(N2CCN(CCCCNC(=O)c3c(F)cccc3F)CC2)c1,2.707985538
Mol2601,Cn1nc(N)c2ccc(Br)cc21,1.976611303
Mol2602,COC(=O)C1=NOC2(CCN(CCC(C)(C)C)CC2)C1,2.478225852
Mol2603,COc1cc(CN2CCCNCC2)cc2c1OCO2,1.862554729
Mol2604,c1ccc(CC2=NCCN2)cc1,1.027920136
Mol2605,Cc1cc(F)ccc1-c1nc(CCn2c(C)nc3ccccc32)no1,3.254089615
Mol2606,Cc1ccc2oc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)cc2c1,3.099346334
Mol2607,c1cnc(NCc2cnc3ccsc3c2)nc1,1.72381675
Mol2608,Cc1nn(C)c2ncc(CNc3ccon3)cc12,1.152869054
Mol2609,CCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC,3.34628039
Mol2610,CC(C)C(=O)N1CCn2nc(CNC3CCc4ccccc4CC3)cc2C1,2.311870363
Mol2611,CCCn1cnnc1CN(C)Cc1cc(C(C)C)on1,2.727588425
Mol2612,CC1(CNC(=O)N2CCN(Cc3ccon3)CC2)CCCC1,2.488994654
Mol2613,CCCS(=O)(=O)c1nc(NC2CC2)cc(-c2ccc3c(ccn3C3CC(C)(C)NC(C)(C)C3)c2)n1,2.09095251
Mol2614,Cc1cc(C)c2c(C(=O)N3CC4(CNC(=O)N4)C3)cc(C)nc2c1,1.487279816
Mol2615,CN(C)S(=O)(=O)CCCN1CCc2ccccc2CC1,2.855173763
Mol2616,COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,1.932113394
Mol2617,CN(C)c1ccnc2sc3c(=O)n(N4CCCCCC4)cnc3c12,1.958769276
Mol2618,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1,2.591536507
Mol2619,CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21,1.303951634
Mol2620,Cc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc(C(C)C)n1,3.348896114
Mol2621,Cc1cc(C)n2nc(C)c(C(=O)NCCc3nnc(C)s3)c2n1,1.519565501
Mol2622,CN(C)S(=O)(=O)CCCN1CCC(CCC(N)=O)CC1,1.027920136
Mol2623,Cc1cccc(C)c1CNC1(CCO)CCOCC1,1.871018039
Mol2624,CCOc1cccc(-c2cccc(N)n2)c1,2.745395707
Mol2625,CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccnn1C,1.027920136
Mol2626,CCN(CC)CC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1,1.499824496
Mol2627,CC(C)c1nnc(NCc2cc(F)cc(F)c2)o1,2.046085259
Mol2628,Cc1cc(C)c2[nH]c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c(C)c2c1,3.281688408
Mol2629,CSc1ccccc1S(=O)(=O)NC1CCC(CN(C)C)CC1,2.64349413
Mol2630,Cc1cccc(N(C)Cc2cnc(N(C)C)nc2)n1,3.248238669
Mol2631,CCc1sc(N)nc1-c1ccc(OC)cc1,2.691289302
Mol2632,O=c1c2sccc2nc2n1CCN(Cc1cc(F)ccc1F)CC2,3.339392405
Mol2633,COc1ccc(OC)c(S(=O)(=O)NCCC(=O)Nc2ccccc2C)c1,2.789264041
Mol2634,CCOCCC(=O)N1CCC2(CCCN(C)CC2)CC1,1.485210191
Mol2635,Cc1n[nH]c(C2CCN(C(=O)NC3CCN(c4ccc(F)cc4)CC3)CC2)n1,1.583720068
Mol2636,COCCc1noc(CN(C)C(=O)c2ccc3c(c2)CCC3)n1,2.419673283
Mol2637,OCCN1CCN(c2ccnc3ccc(Br)cc23)CC1,2.055611473
Mol2638,Cc1cccc(C)c1OCCn1nnnc1C,1.987407041
Mol2639,O=c1c(CO)cc2cc3c(cc2n1Cc1ccccn1)CCC3,3.069236918
Mol2640,COc1cccc(Oc2ccc(NC(=O)CN3CCCCC3=O)cn2)c1,1.8853386
Mol2641,N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccccc2)C1,1.413165598
Mol2642,CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C(F)(F)F,1.784560239
Mol2643,Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12,1.027920136
Mol2644,C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21,1.032256026
Mol2645,CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1,1.960570659
Mol2646,O=C([C@@H]1CCCN1C(=O)NC(c1ccccc1)c1ccccc1)N1CCCCC1,2.937915395
Mol2647,O=c1c2oc3ccccc3c2ncn1Cc1ccc(F)c(F)c1,2.896364705
Mol2648,COc1cccc(Cc2nc3sc4c(c3c(=O)[nH]2)CCSC4)c1,3.450775794
Mol2649,COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,2.519096556
Mol2650,Cc1cc(NCC2(c3ccncc3)CC2)ncn1,2.297381843
Mol2651,CC(C)c1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1,2.57847417
Mol2652,c1ccc2nc(NCCn3ccnc3)cnc2c1,2.64485791
Mol2653,Cc1nnc(COc2cccc(-n3ccnc3)c2)n1C1CC1,1.219348717
Mol2654,N#Cc1cnc2cc(F)cc(F)c2c1NC1CCN(CC(N)=O)CC1,1.437845653
Mol2655,C#Cc1cccc(N(CC(=O)NC(N)=O)Cc2cccs2)c1,3.205708492
Mol2656,Cn1cnnc1-c1cccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1,2.488270026
Mol2657,Cc1cc(Nc2nnc(C)s2)cc(C2CN(C(=O)Cc3csc(C)n3)CCO2)n1,2.013241816
Mol2658,CC(=O)N[C@H]1CCN(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)C1,2.916352865
Mol2659,CC(C)CCN1CCC(CNC(=O)C2CC=CC2)CC1,2.15012372
Mol2660,Cc1cccc(NC(=O)CN(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1C,3.102586334
Mol2661,Cc1cccc2cc(C(=O)NCCCn3nnc4ccccc43)n(C)c12,3.14947407
Mol2662,C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21,1.535711754
Mol2663,COc1ccnc(N2CC(O)(C3CC3)C2)n1,1.412191655
Mol2664,Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1,2.255494421
Mol2665,O=c1c2cccnc2ncn1Cc1ccc2c(c1)CCCC2,2.851885482
Mol2666,O=C(NC1CCCCC1)C1=CCN(C(=O)C2CC2)C1,1.473720477
Mol2667,CCN(CCO)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1,1.027920136
Mol2668,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1,3.002522426
Mol2669,CCCc1ncncc1C(=O)NCc1noc(C2CC2)n1,2.04767976
Mol2670,Cc1nccc(N(C)Cc2nc(-c3cccnc3)no2)n1,2.300630261
Mol2671,COc1cc(C#N)ccc1Cn1ccnc1C(C)C,2.219733806
Mol2672,CC(C)CCN1CCc2nc3cc(C4CC4)nn3c(O)c2C1,1.481456961
Mol2673,Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1,2.468468443
Mol2674,CCCc1nnc(N2CCC3(CCCC3)C2)s1,3.334054258
Mol2675,COC(=O)c1cccc2c1CCCN2C(=O)c1ccccc1,3.310941925
Mol2676,N#Cc1ccc(CNc2cnc3ccccc3c2)o1,2.376326892
Mol2677,c1ccn2cc(CSc3ccc(-n4cccn4)nn3)nc2c1,2.799210931
Mol2678,COc1cc(CCNC2CCC3(CC2)OCCO3)ccc1F,3.350642001
Mol2679,COc1ccc(OCc2n[nH]c(-c3ncoc3C(C)C)n2)cc1,2.710964809
Mol2680,Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)c1,3.360073047
Mol2681,CCc1[nH]nc(NC2CCN(C(C)C)CC2)c1C,2.211571695
Mol2682,CCCOc1c2c(nc3cc(C4CCOCC4)nn13)CCC2,1.206744944
Mol2683,O=c1c2ccccc2nc2n1CCN(Cc1ccc(F)cc1)CC2,2.75236579
Mol2684,O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1ccc(OC(F)F)cc1,3.244757178
Mol2685,CN1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1,3.203969854
Mol2686,Cc1nnc(CN(C)Cc2cnn(C)c2C)s1,1.301724312
Mol2687,COc1ccc(CN2CC(c3ccncc3)C2)cc1Cn1cccn1,2.599287965
Mol2688,O=C(C1CCC1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1,3.676817937
Mol2689,CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12,2.517313366
Mol2690,Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)n1,3.325415529
Mol2691,COc1ccc(CNC(=O)CCSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)cc1,2.392191039
Mol2692,CC(C)COc1ccc(C(C)(C)NCc2nnc(C3CCC3)o2)cc1,3.487681399
Mol2693,c1csc(Cc2nc(-c3cnccn3)no2)c1,1.907610188
Mol2694,CCCN(C(=O)c1ccc(COC)o1)c1nc2c(s1)CCc1c-2cnn1C,1.9493968
Mol2695,COCC(=O)N(CC1CCCO1)c1nc2c(s1)CCc1c-2cnn1C,1.152288344
Mol2696,CC(C)(C)c1nc(O)c2nnn(C3CCNCC3)c2n1,1.027920136
Mol2697,O=C(Nc1ncccc1OC(F)F)C1CCCCC1,3.038994297
Mol2698,CCNc1cc2c(nn1)CCN(C(=O)Cn1ccc3ccccc31)C2,1.969178197
Mol2699,Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccncc2)n1,2.285721545
Mol2700,COc1ccnc(N2CCCN(Cc3ccccc3C)CC2)n1,3.370785387
Mol2701,COc1ccc(OC)c(C(=O)/C=C/c2ccccc2)c1,3.293024491
Mol2702,CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O,1.887257114
Mol2703,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
Mol2704,Cc1ccc(=O)n(CC2(O)CCN(Cc3ccc4ccccc4n3)CC2)n1,1.954541587
Mol2705,O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,1.165562747
Mol2706,c1ccc(-c2cn(C3CNC3)nn2)cc1,1.455773409
Mol2707,COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC,1.958776856
Mol2708,N#Cc1nc(-c2ccccc2)oc1NCc1ccccc1,3.393340533
Mol2709,Cc1ccc(C)c(OCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,3.810497451
Mol2710,O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccn1,2.217615529
Mol2711,O=C(CCCCCCC(=O)Nc1ccccc1)NO,1.437417582
Mol2712,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C,3.377411795
Mol2713,Cc1cnccc1NC(=O)COc1ccccc1C#N,2.480025637
Mol2714,CCOC(=O)N1CCc2cc(NC(=O)c3oc(C)cc3C)ccc21,2.072610128
Mol2715,Nc1ccc2c(c1)ncn2-c1ccccc1,1.402312979
Mol2716,Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C,3.423961951
Mol2717,Cn1c(=O)oc2cc(NC(C3CC3)C3CC3)ccc21,2.268596691
Mol2718,O=C(c1nccc2ccccc12)N1CCC(COc2ccccn2)CC1,3.733402884
Mol2719,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
Mol2720,NC1(c2nc(-c3ccsc3)no2)CCCCC1,2.650205496
Mol2721,CCCc1cnc(C)nc1N(C)CCC(C)(C)O,2.190014968
Mol2722,CN(Cc1nc2ccccc2n1C)c1ccnc(-c2ccccc2)n1,3.24054226
Mol2723,Cc1nccc(-c2cccc(NCC(=O)NCc3ccccc3)c2)n1,2.814836026
Mol2724,CCOc1ccc2c(c1)cc(CN1CCSCC1)c1nn(C)c(=O)n12,2.780831967
Mol2725,O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1,2.781178565
Mol2726,Nc1ncccc1OCc1cccc(Cl)c1,2.857942493
Mol2727,Cc1ccn(CCC(=O)N2CCc3nc4sccc4c(=O)n3CC2)n1,2.383677159
Mol2728,N#CCc1ccc(OCc2ccncc2)cc1,2.571881118
Mol2729,CN1C(=O)c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2C1=O,2.137537666
Mol2730,COc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(Cl)cc1Cl,2.646507631
Mol2731,CCN(CC)Cc1cnc(NC(=O)c2ccccc2)s1,2.284299862
Mol2732,Cc1cc(C(F)(F)F)nc(N(C)Cc2c(C)noc2C)n1,2.769927232
Mol2733,Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1,2.733012532
Mol2734,COc1cc(C)nc(N2CCN(c3ccc4ccccc4n3)CC2)n1,2.808135319
Mol2735,Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O,2.017751002
Mol2736,O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,2.843579701
Mol2737,O=C(CN1CCCC1=O)N1CCc2nc3sccc3c(=O)n2CC1,1.027920136
Mol2738,Cn1ccc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1,2.022605682
Mol2739,Cc1ccnc(NC(=O)c2ccnc(C)n2)c1,2.754764081
Mol2740,CN1CCCN(C(=O)Nc2cccc(OCC(F)F)n2)CC1,2.280705818
Mol2741,CN(C(=O)[C@@H](N)Cc1ccccc1)c1ccccc1,2.593793186
Mol2742,O=C1OCCN1CCN1CCC(c2cc3ccccc3[nH]2)CC1,2.688189264
Mol2743,Cn1nccc1C(=O)NCCc1cc2nc(-c3cccs3)ccn2n1,2.751771641
Mol2744,COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1,1.692000366
Mol2745,Brc1cnc(N2CCCN(c3ccccc3)CC2)nc1,3.753651376
Mol2746,O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1,2.709458228
Mol2747,C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)CCc1ccccc1,3.552021768
Mol2748,Cc1cnc(CNC2(c3nccs3)CCCC2)cn1,2.389173175
Mol2749,Cc1ccc(C)c(NC(=O)c2cccc(-c3ncon3)c2)c1,2.215211783
Mol2750,Cn1cc(Br)cc1C(=O)N1CCc2nn[nH]c2C1,1.641464195
Mol2751,Cc1cnc(-c2nc(NCc3cccnc3)ncc2-c2cc(C)no2)cn1,2.417443459
Mol2752,Cc1noc(CCNc2cccc(F)c2C#N)n1,2.425499984
Mol2753,CN(C(=O)c1cccc(C(=O)O)c1)c1ccccc1,1.027920136
Mol2754,O=C(NCC1(Sc2ccccc2)CC1)c1ccc(=O)[nH]n1,2.753397659
Mol2755,O=c1n(Cc2ccncc2)nc2n1-c1cc(Cl)ccc1C1=NCCN12,2.156040056
Mol2756,CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2,2.363551219
Mol2757,CC(C)C[C@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@@H](O)C(=O)NO,2.776868188
Mol2758,CCN(C(=O)c1cccc(-n2cccn2)c1)c1ccc(C#N)c(Cl)c1,3.313590955
Mol2759,CN1CCN(c2cccc(C#N)n2)CC1,2.790511755
Mol2760,N#CC1(NC(=O)c2ccc3c(c2)OCO3)CCCC1,1.811963552
Mol2761,Cc1ccc(OCC(=O)Nc2cc(C)on2)nc1,1.027920136
Mol2762,Nc1nccc2c1ncn2[C@H]1C=C(CO)[C@@H](O)[C@H]1O,1.212986185
Mol2763,CCc1nc2ccccc2n1CC(=O)Nc1cnc2ccccc2c1,2.274342616
Mol2764,Cc1c(C(=O)NCC2CCSCC2)nnn1-c1cccc2cnccc12,3.247574367
Mol2765,CCOc1cc(N2CCc3nc[nH]c3C2)ncn1,1.890856771
Mol2766,CN(Cc1cnccn1)Cc1nc(N)c2ccccc2n1,2.661308081
Mol2767,Cc1nc(C)n(-c2ccccc2NC(=O)c2cc(C#N)cn2C)n1,2.211553018
Mol2768,N#Cc1ccccc1CN1C(=O)CCC1=O,1.310480891
Mol2769,Cc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)cn1,2.401515993
Mol2770,NC1(c2noc(-c3cccnc3)n2)CCCCCC1,2.647138366
Mol2771,COc1cc(-c2cnc(NC3CC3)nc2-c2cccs2)nc(OC)n1,2.686076509
Mol2772,COCc1ncc(CN2CCC(Oc3ccccc3C)CC2)cn1,2.255308695
Mol2773,CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O,1.027920136
Mol2774,N#Cc1cc(F)ccc1Cn1ccnc1-c1ccccn1,2.617562252
Mol2775,Cc1cc(C(=O)N(C)Cc2ccccc2C)[nH]n1,2.37792519
Mol2776,Cc1nc(C)c(C(=O)Nc2ccc3ncccc3c2)o1,1.541566764
Mol2777,Cc1cc2c(=O)n3c(nc2s1)CCNCC3,1.829020585
Mol2778,CN(c1ccccc1N)S(C)(=O)=O,1.381494133
Mol2779,CC(C)c1ccc2occ(CC(=O)O)c2c1,1.027920136
Mol2780,O=C(Nc1cc[nH]n1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1,1.728118306
Mol2781,Cc1c(O)cccc1OCCN1CCOCC1,1.730119835
Mol2782,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
Mol2783,c1ccc(-c2noc(C3CCNCC3)n2)nc1,1.027920136
Mol2784,CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,3.566639684
Mol2785,Cc1cc(SCc2ccc(Cl)nc2)nc2ccccc12,3.139084987
Mol2786,Cc1nc(C)c(C(=O)NCc2ncoc2C)s1,1.027920136
Mol2787,CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1,2.357718578
Mol2788,Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)n1,3.495298993
Mol2789,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O,1.027920136
Mol2790,O=c1[nH]c2ccccc2n1C1CCN(Cc2coc(-c3cccs3)n2)CC1,2.677144128
Mol2791,Cn1nccc1C(=O)C1CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1,1.990796
Mol2792,O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.576211388
Mol2793,N#Cc1cc(N2CC(CO)C2)nc2ccc(Cl)cc12,2.084236573
Mol2794,CN(C)c1ccnc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1,2.649213122
Mol2795,Cc1nc(-c2cccc(C(N)=O)c2)sc1-c1ccc(F)cc1,2.595794834
Mol2796,CCc1nsc(N2CCS(=O)(=O)CC2)n1,1.027920136
Mol2797,Cc1nc(C2CCN(c3ccc(F)cc3C#N)CC2)no1,2.72156909
Mol2798,CC(C)(C)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(C)(C)C)c1,3.013715165
Mol2799,CC(C)(C)c1cc(NS(=O)(=O)c2cccc(F)c2)cc(C(C)(C)C)c1,2.485189486
Mol2800,Cc1nc(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n[nH]1,1.147707234
Mol2801,Cc1noc(Cc2ccc(C)c(O)c2)n1,1.717678823
Mol2802,CC(C)N1CCN(CCCSc2ncc[nH]2)CC1,1.939813674
Mol2803,O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1,2.781370867
Mol2804,O=C(COC(=O)c1cc(O)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1,2.264647954
Mol2805,COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O,3.136159078
Mol2806,O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1,3.969621762
Mol2807,CN1C(=O)COc2cc(NC(=O)C3CC=CC3)ccc21,1.967079734
Mol2808,CN(C)c1ncc(CN2CCC(Cc3ccc(F)cc3)CC2)s1,3.409779319
Mol2809,CC(C)c1nc(/C=C/c2cnn(C)c2)ncc1C(=O)O,1.027920136
Mol2810,Cc1sc2ncn(Cc3c(F)cccc3Cl)c(=O)c2c1C,2.879027029
Mol2811,COCC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1,2.184282491
Mol2812,O=C(COc1cccc(-n2cncn2)c1)N1CCc2ccccc21,2.526855987
Mol2813,Cc1nc(Cn2nnnc2C(C)(C)C)nc2ccccc12,2.859732568
Mol2814,COc1cccc(CNC(=O)C2(C#N)CCOCC2)c1,1.880390521
Mol2815,NCc1ccc(-n2cnc3ccccc32)cc1Cl,1.557001634
Mol2816,Oc1cncc(/C=C/c2nc(-c3ccncc3)no2)c1,2.378980809
Mol2817,N#Cc1c(Cl)nc(N)n1-c1ccccc1,1.44294987
Mol2818,CC(C)c1cc(C(=O)Nc2ncccc2Cl)no1,1.813487582
Mol2819,Cc1noc(CC2CCN(Cc3cccnc3)CC2)n1,1.689104542
Mol2820,CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21,1.152288344
Mol2821,NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl,1.152288344
Mol2822,COc1ccc(F)cc1-c1ccc(-c2nnco2)cc1,2.521983611
Mol2823,Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccc(Cl)cc3)CC2(C)C)n1,3.324075423
Mol2824,COc1ccc(Cc2noc(-c3cccc4c3OCC(=O)N4)n2)cc1,2.170892158
Mol2825,O=C(Nc1c(F)cccc1Oc1ccccc1)c1cnccn1,3.035037696
Mol2826,O=C(Nc1nnc[nH]1)c1ccc(C2SCCCS2)cc1,2.166616581
Mol2827,O=C(Nc1ccccc1)c1scnc1-c1ccccc1,3.016727973
Mol2828,CCC(=O)Nc1sc2c(c1C#N)CCC2,2.580826935
Mol2829,CCCNC(=O)c1ccc(OC2CCN(C)CC2)cc1,1.54550504
Mol2830,COc1ccncc1NCc1cscn1,1.404765318
Mol2831,CONC(=O)c1c2c(nc3ccccc13)CCC2,1.027920136
Mol2832,O=c1n(Cc2ccccn2)nc2n1-c1cc(Cl)ccc1C1=NCCN12,1.680598368
Mol2833,Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,1.960475918
Mol2834,N#Cc1ccc(-c2cccc(CN)c2)s1,2.745975253
Mol2835,CCNC1=N[C@H]2[C@H](O[C@@H](CO)[C@H](O)[C@@H]2O)S1,1.027920136
Mol2836,Cc1ncsc1-c1nc(CNc2cc(F)cc(F)c2)no1,2.82022117
Mol2837,C=CCNC1=C2C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,3.005442641
Mol2838,CN1CCN(C(=O)c2ccc3cc(CCNc4ncnc5ccc(C#N)cc45)ccc3c2)CC1,2.376649942
Mol2839,Cc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1,3.369321078
Mol2840,COc1ccc(NC(=O)CN2CCCC2)cc1,3.268166648
Mol2841,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCC2)cc1,3.172209271
Mol2842,Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1,2.335342049
Mol2843,CN(C)c1ccnc(NCc2ccc(F)cc2)n1,3.251684932
Mol2844,N#CC1(NC(=O)Cc2cc3c(ccc4ccccc43)o2)CCOCC1,2.848311688
Mol2845,COc1ccccc1C(=O)/C=C/c1ccccc1C(F)(F)F,3.138438493
Mol2846,Cc1nc2ccccc2c(C(=O)O)c1C,1.027920136
Mol2847,Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1,2.296487488
Mol2848,C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1cccs1,2.912121578
Mol2849,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,1.027920136
Mol2850,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,2.390097489
Mol2851,c1cnc(NCc2cccc3cnccc23)nc1,2.250007471
Mol2852,CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1,1.230448921
Mol2853,Cc1cccc(NC(=O)C(=O)c2c(C)nn(C)c2C)n1,2.36398783
Mol2854,CN(C)c1ncncc1NC(=O)c1ccc(C(F)(F)F)nc1,1.027920136
Mol2855,COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,1.862783943
Mol2856,O=C(c1cc(F)ccc1O)N1CCN(C2CCOCC2)CC1,2.30227247
Mol2857,c1cnc2c(Oc3ncnc4sccc34)cccc2c1,2.387852353
Mol2858,Cc1nn(C)c2nc(-c3ccncc3)cc(C(=O)O)c12,1.027920136
Mol2859,Cc1cc(NC(=O)c2ccc(NC3CC3)nc2)[nH]n1,1.191283301
Mol2860,COc1cccc(CN2CCc3nc(-c4cnccn4)nc(O)c3C2)c1,1.424407899
Mol2861,Cc1cc(N(C)CC(C)(C)O)ncc1Br,2.986764123
Mol2862,Cc1cc(C(=O)O)nn1-c1ccccn1,1.027920136
Mol2863,Cc1cc(CSCc2c(C)noc2C)no1,3.281587592
Mol2864,Cc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1N1C(=O)CCC1=O,1.283255987
Mol2865,Cc1ccc(CCNc2nc(C)cc(C)n2)cn1,2.283733046
Mol2866,CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1,2.544740609
Mol2867,O=C(NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccon1,1.027920136
Mol2868,CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1,2.017667614
Mol2869,NCCCc1nc(-c2ccncc2)cs1,2.378399718
Mol2870,CCN(Cc1cccs1)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.447533999
Mol2871,O=c1[nH]c2ccccc2n1C1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1,3.038644002
Mol2872,Cc1ccc(OCCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1,3.188219542
Mol2873,O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(Cc3ccccc3)no2)CC1,2.933126745
Mol2874,O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.449672284
Mol2875,Cc1cc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1Cl,3.160701073
Mol2876,O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.246697956
Mol2877,Cc1nc(CCNc2cnccc2C#N)cs1,2.591743357
Mol2878,Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)o1,1.027920136
Mol2879,O=C(NCc1cccc2c1OCCCO2)c1cscn1,1.918308238
Mol2880,Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1,2.570413333
Mol2881,Cn1ncc2c(NOCc3ccccc3)ncnc21,1.695858019
Mol2882,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1,1.758465263
Mol2883,N#Cc1cnc2ccccc2c1OCCO,1.10404303
Mol2884,CCN(CC)C(=O)Oc1cccc2cccnc12,2.275953681
Mol2885,CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,1.701272404
Mol2886,NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1.23299611
Mol2887,Cc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](O)[C@@H]1O,1.247703282
Mol2888,CC(C)c1noc(-c2ccc(N)cc2)n1,2.198013415
Mol2889,O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1,1.23299611
Mol2890,Cc1ccc2[nH]c(CNC(=O)c3cc(C(F)F)nn3C)nc2c1C,2.269449897
Mol2891,Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2cccnc12,2.581841835
Mol2892,CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C,3.140664826
Mol2893,O=C(CCC1CCOCC1)Nc1ccc(C(=O)O)cc1,1.027920136
Mol2894,Cc1nc(CS(C)(=O)=O)sc1C(=O)Nc1ccccc1,1.027920136
Mol2895,O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,2.996752831
Mol2896,CC(C)(C)c1csc(Cn2ccnc2-c2ccccn2)n1,3.417478502
Mol2897,Cc1cccnc1CNC(=O)c1ccc(Cl)s1,2.600981603
Mol2898,CCNC(=O)c1cc(N2CCC(N3CCCC3=O)CC2)ccn1,1.027920136
Mol2899,O=C(NC[C@]1(O)CCN(Cc2cccs2)C[C@H]1O)c1c[nH]cn1,1.027920136
Mol2900,CCc1noc(-c2ccc(C)c(N)c2)n1,2.292397859
Mol2901,Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccc(F)cc4C)cc32)cc1,3.38298213
Mol2902,Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc32)cc1,3.35375207
Mol2903,CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCc4ccccn4)[C@H](O)[C@@]3(O)[C@@H]1C2,2.959167844
Mol2904,Clc1cnc(NCC2(c3ccncc3)CC2)nc1,2.673481697
Mol2905,CCOc1ccc(CC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1OCC,2.980428817
Mol2906,COCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1,2.116352006
Mol2907,COCC(C)(C)CNC(=O)C1(Cn2cccn2)CC1,2.2738505
Mol2908,CC(=O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1,1.721967164
Mol2909,Cc1ccn(-c2ccc(NCC3CC3)nn2)n1,2.484716847
Mol2910,O=C(Cn1ncc2ccccc21)Nc1ccc2c(c1)CCO2,2.323165439
Mol2911,CC(C)(CNc1cnn(CCO)c1)c1ccccc1,2.510217826
Mol2912,CCCn1cc(CNC(=O)CN2CCCC2)cn1,2.403156568
Mol2913,CC(C)(C)c1cc(C(=O)CSc2nncn2-c2ccccc2)cc(C(C)(C)C)c1O,1.668087787
Mol2914,CC(C)NC(=O)CN(C)c1ccc(Cl)c(C#N)n1,1.940247458
Mol2915,Fc1cc(CCNc2ncnc3sccc23)c2c(c1)COCO2,3.447841197
Mol2916,c1ccc(-c2nccc(NCc3nnc4n3CCCCC4)n2)cc1,2.6510773
Mol2917,COc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1,2.229205572
Mol2918,COc1ccc(Cc2nnn[nH]2)cc1F,1.027920136
Mol2919,Cc1noc(C)c1N(C)CCn1cncn1,1.584365152
Mol2920,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,1.241745653
Mol2921,COc1cc2cc(N)c(C3CCNCC3)nc2cc1OC,1.027920136
Mol2922,Cn1nccc1C(=O)C1CCN(C(=O)c2cccs2)CC1,1.988902155
Mol2923,Cc1cc(NC(=O)c2c(F)cccc2Cl)no1,1.415457483
Mol2924,CCOC(=O)c1c(C)n(C)c2ccc(O)cc12,2.220701567
Mol2925,CCOc1ccc2nc3c(cc2c1)CN(CCOC)C(=O)O3,2.333197307
Mol2926,Cc1nc(-c2ccccc2)c(C(=O)Nc2cc(Cl)cc(Cl)c2)s1,2.361487964
Mol2927,Clc1cnc(Oc2ccc3cn[nH]c3c2)nc1,1.43907994
Mol2928,COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1,2.551348732
Mol2929,COc1ccccc1-n1ncc2c(=O)[nH]c(SC(C)c3ccccc3)nc21,3.070244878
Mol2930,Cc1cc(CN(C)C(=O)C(=O)Nc2ccc(F)c(C)c2)no1,2.43065867
Mol2931,Nc1nc2ccccc2n1C1CCCC1,1.942628031
Mol2932,Cc1nc2ccccc2n1CCNc1ncccn1,2.476375075
Mol2933,O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1,2.48505386
Mol2934,Cc1ccc(F)cc1NCc1csc(-c2cnn(C)c2)n1,2.604095313
Mol2935,N#Cc1ccc(OC2CCNCC2)cc1,1.027920136
Mol2936,Cc1nonc1C(=O)Nc1cccnc1N(C)C,2.238031041
Mol2937,O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O,2.583587381
Mol2938,CCOc1cc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)cc(OCC)c1OCC,1.242429196
Mol2939,CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCCCC1,2.768789005
Mol2940,CC(C)c1c(-c2ccccc2)[n+]([O-])c2c([n+]1[O-])CCC2,1.155396774
Mol2941,Cc1nc(CNC(=O)c2ccc(F)c(C)c2)no1,1.027920136
Mol2942,Cc1ccccc1-c1cc(N)n(Cc2ccccc2)n1,2.480241284
Mol2943,NCc1nnc(CCc2ccccc2)o1,1.027920136
Mol2944,COCCCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1,1.991832778
Mol2945,CCCCNc1nc2c(cc1C#N)CCC2,3.364486456
Mol2946,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]12,1.940924689
Mol2947,O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1,2.788388292
Mol2948,COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4ncccc34)C2)cc1,2.786234503
Mol2949,CCC(C)(C)c1ccc(Oc2ccc(NC3=NN(c4ccccc4)C(=O)C3)cc2)cc1,1.23299611
Mol2950,CS(=O)(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1,2.44421192
Mol2951,CCCn1ncc(CN2CCC(c3ncc[nH]3)CC2)c1C,2.69734139
Mol2952,CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1,1.230448921
Mol2953,Cc1nccc(-c2cccc(NCC(=O)Nc3ccc(F)cc3)c2)n1,2.482729271
Mol2954,CN(C)C(=O)CCNc1ccnc2ccc(Cl)cc12,1.863685612
Mol2955,CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc21,3.969621762
Mol2956,CCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1,2.638016249
Mol2957,COc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC(C)C,3.375901268
Mol2958,NC(=O)c1cnn(Cc2cccc(F)c2)c1,1.027920136
Mol2959,O=c1c2c(Cl)ccc(Cl)c2ncn1Cc1cc(O)ncn1,1.027920136
Mol2960,CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1,1.814447379
Mol2961,CCc1cc2c(OCC(=O)N3CCCC3)ncnc2s1,2.775980878
Mol2962,Cc1cc(NC(=O)c2cc(F)cc(F)c2)sn1,1.888404168
Mol2963,Nc1ccccc1-c1nc(C2CC2)no1,2.877153568
Mol2964,Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1,1.027920136
Mol2965,CC(C)c1nccn1Cc1nc(-c2cccs2)no1,3.285472917
Mol2966,CC(=O)NCCOc1ccc2ccccc2n1,1.94992157
Mol2967,Nc1nn(C(=O)Cc2ccc(F)cc2)c2cccc(F)c12,1.798761104
Mol2968,O=C1NC2(CCC2)C(=O)N1Cc1ccon1,1.027920136
Mol2969,Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,2.320665467
Mol2970,CC(=O)N(CC(N)=O)c1ccc(C)cc1,1.631200171
Mol2971,COc1cc(OC)c2c(=O)cc(CCC(=O)O)oc2c1,1.027920136
Mol2972,c1ccc2nc(OC3CCNCC3)cnc2c1,2.263375651
Mol2973,Nc1ccccc1-c1nc(C2CCCCCC2)no1,3.117681196
Mol2974,NCCc1cnn(Cc2ccccc2)c1,1.027920136
Mol2975,CCCn1cc(CNc2ncccn2)cn1,1.752086879
Mol2976,CSC1(CNc2cncc(Cl)n2)CCOCC1,2.722796752
Mol2977,O=C(NCCN1CCc2ccccc2C1=O)c1ccncc1,2.380509717
Mol2978,O=C(N[C@H](CO)CC1CCCCC1)c1cccc(-c2cnccn2)c1,3.629710646
Mol2979,CC(=O)N1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)c2ccccc21,2.514669922
Mol2980,Nc1nc(N2CCN(CC3CCCC3)C(=O)C2)cc(-n2cccn2)n1,3.062005174
Mol2981,Cc1nc(-c2ccncc2)cc(N2CCC(CO)CC2)n1,1.567379308
Mol2982,CN(c1nc2ccccc2o1)C1CCN(C2CCOCC2)CC1,2.067584114
Mol2983,Cc1c(C(=O)Nc2cnccn2)cccc1-c1ccccn1,2.695383599
Mol2984,Cc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1,3.618827244
Mol2985,Cc1cccc(C)c1NCc1noc(C2CC2)n1,3.186112058
Mol2986,CN1CCN(c2ccc3nc(-c4cc(C(C)(C)C)c(OCCCC(=O)NCCCN=[N+]=[N-])c(C(C)(C)C)c4)[nH]c3c2)CC1,2.326528383
Mol2987,Cc1cc(CSCc2ccc(C#N)cc2)no1,3.002342769
Mol2988,CCN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCCC2)CC1,2.860599702
Mol2989,COc1ccc2c(c1)CCCN(C(=O)NCCc1ccccn1)C2,3.144810126
Mol2990,CN1C(=O)c2ccc(C(=O)N(CC3CCCCC3)C3CC3)cc2C1=O,3.414878461
Mol2991,CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1,2.661793762
Mol2992,COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C,2.159945156
Mol2993,CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,2.561770861
Mol2994,COc1cccc(CN2CCc3nc(-c4cnc(C)cn4)nc(O)c3C2)c1,1.582256592
Mol2995,O=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1,2.571648283
Mol2996,O=C(Nc1cnn(-c2ncccn2)c1)C1CCCCC1,1.863905495
Mol2997,O=C(c1ccc(-c2ccncc2)cc1)N1CCC(F)(F)CC1,1.635664665
Mol2998,Cc1cc(-n2nc(C)cc2N)nc(C)n1,2.096068404
Mol2999,Cc1cc(-c2cccc3ccnn23)nc(N2CCCC2)n1,3.203646343
Mol3000,COc1ncccc1CNc1c(C#N)cnc2c(C)cc(F)cc12,3.095621898
Mol3001,N=C(N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1,1.027920136
Mol3002,O=C(NC[C@]1(O)CCN(Cc2cscn2)C[C@H]1O)c1c[nH]cn1,1.629083246
Mol3003,N#CCNC(=O)c1ccc(C#N)c(Cl)c1,1.027920136
Mol3004,Cc1ccnc2[nH]c(CSCc3ccccc3)nc12,2.810902938
Mol3005,CCCN(C(=O)c1ccccc1N)C(C)C,2.533638624
Mol3006,CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1,2.836996561
Mol3007,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F,1.346613012
Mol3008,COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)C2,2.566113271
Mol3009,CC(C)NC(=O)CN(C#N)c1ccccc1,1.027920136
Mol3010,Cc1cc(CO)nc(N2CCCCC2)n1,2.053754341
Mol3011,N#CCCn1ncnc1-c1cccc(C#N)c1,1.027920136
Mol3012,O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3cccs3)no2)CC1,2.368668004
Mol3013,O=C(COCc1nc2ccccc2s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.010513658
Mol3014,O=C(CCn1ccc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.736240288
Mol3015,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1,2.229894203
Mol3016,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,2.084995734
Mol3017,CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1,1.504959933
Mol3018,Cc1cccc(CNC(=O)Cn2c(=O)oc3cccnc32)c1,1.027920136
Mol3019,Cc1ncsc1CCN1C(=O)NC2(CCCC2)C1=O,2.235679919
Mol3020,Cc1c(C(=O)NCCc2cc3nc(-c4ccco4)ccn3n2)cnn1C,2.237995893
Mol3021,CN(C)Cc1ccnc(NC(=O)c2ccsc2)c1,2.598863795
Mol3022,N#Cc1nc(-c2ccccc2)oc1NCc1ccc2c(c1)OCO2,2.849160111
Mol3023,Clc1ccc(CSc2nc(-c3ccccc3)cs2)cn1,3.354011769
Mol3024,Cc1nn(C)c(C)c1CNc1ccc(N2CCN(C)CC2)nc1,1.027920136
Mol3025,CN1N=C(SCc2ccc(Cl)cc2Cl)Sc2c1cnn(C)c2=O,3.276576911
Mol3026,Cc1cc(OCc2ccnc(Cl)c2)nnc1C,1.712464498
Mol3027,Fc1cc(-c2noc(C3CCN(C4CC4)CC3)n2)cc(F)c1F,2.771893804
Mol3028,Fc1cccc2c1CN(Cc1c[nH]nc1-c1cccnc1)CC2,3.094119498
Mol3029,Cc1ccncc1NC(=O)Cc1ccc(F)cc1,1.309012349
Mol3030,O=C1CCC(=O)N1Cc1nc(Cc2ccccc2)cs1,2.16201447
Mol3031,COc1cc(C)cc(OC)c1-c1ccc(OCC(N)=O)cc1,2.403695195
Mol3032,Cc1ccc(C#N)c(NC(=O)CCc2ccccc2)n1,2.379923426
Mol3033,O=C(NCCc1ccc(F)cc1)n1ccnc1,1.980276141
Mol3034,Cc1noc(C)c1COc1ccc2ncccc2c1,2.528250614
Mol3035,Cc1ccc(C(=O)N(C)Cc2ccccn2)c(O)c1,2.680768685
Mol3036,N#Cc1cccc(NCc2ccc(-c3cccnc3)o2)c1,2.619600407
Mol3037,CNC(=O)Cc1noc(-c2ccc3ncccc3c2)n1,1.337539124
Mol3038,Cc1ccc(-c2cnc3ccccc3n2)cc1N,2.307496038
Mol3039,O=c1oc2cccnc2n1Cc1cnn(-c2ccccc2)n1,1.803805231
Mol3040,Cc1cccc2cnc(C3CCN(C(=O)CCc4ccno4)CC3)cc12,2.862803776
Mol3041,COc1ccc(CN2CCC(c3cc[nH]n3)CC2)cn1,2.011096563
Mol3042,CN(C)c1ccnc(NC(=O)c2cnsn2)c1,2.446835293
Mol3043,Oc1cc(F)ccc1-c1nc(-c2ccncc2)no1,2.524105197
Mol3044,Nc1c(C(=O)NCC2CCCO2)sc(=S)n1-c1ccc(Cl)cc1,1.965121856
Mol3045,Cn1c2cc(S(C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21,1.695507944
Mol3046,O=C(C1CCCCC1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1,3.709121835
Mol3047,Cn1ccnc1C1CCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)CC1,1.788860992
Mol3048,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
Mol3049,CC(C)(C)c1cc(C(=O)CSc2nnnn2-c2ccccc2)cc(C(C)(C)C)c1O,1.746517539
Mol3050,N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]12,1.027920136
Mol3051,O=C(CNC(=O)c1ccccc1Cl)Nc1cccc2c1CCCC2,3.26519625
Mol3052,c1ccc(C2(CNc3nc4ccccc4o3)CCOCC2)cc1,3.530841697
Mol3053,Cc1cccc(NC(=O)c2cncn2-c2ccccc2)n1,2.217476048
Mol3054,C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1,2.759221236