Compound Name

SMILES String

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)CO2)CC1

CN1CCC2(CCC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)O2)CC1

CN1C[C@H]2[C@H](CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)[C@H]2C1 |r|

CN1CC2CCC(C1)C2CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C

CN1CCC2(CC2CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)CC1

CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1

CN1CCC2(CC(CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1

Fc1cccc(COc2ccc(Nc3c(cnc4ccc(NC(=O)C5CSSC5)cc34)C#N)cc2Cl)c1

Fc1cccc(COc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2Cl)c1

OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1 |r|

OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1 |r|

OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r|

Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1

C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|

Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r|

Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1

Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1

C[C@H](N)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 |r|

Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r|

Nc1cnc(cn1)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

CC(C)([O-])CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12

[O-]CCOCn1ccc2ncnc(Nc3cnc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12

Nc1nc2cnc(cn2n1)-c1ccccc1

FCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1

COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

FC(F)COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC(F)C1

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23

C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|

Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

CC#CC(=O)NCCCC(=O)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

CCC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F

CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F

CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1

CCc1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(C)NC(=O)c1cccc(c1)C(F)(F)F

FC(F)(F)c1cccc(NC(=O)c2ccc(C3CC3)c(c2)-c2ccc3nc(Nc4cnn(c4)C4CC4)ncc3c2)c1

Cc1cc(Nc2ncnn3ccc(CN4CCNCC4)c23)ccc1Oc1ccn2ncnc2c1

Cc1cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1

Cc1cc(Nc2ncnn3ccc(CN4CCCNCC4)c23)ccc1Oc1ccn2ncnc2c1

Cc1cc(Nc2ncnn3ccc(CN4[C@H]5CC[C@@H]4C[C@@H](O)C5)c23)ccc1Oc1ccn2ncnc2c1 |r,THB:13:14:22.20.19:16.17|

Cc1cc(Nc2ncnn3ccc(CN4C[C@@H]5CC[C@H](C4)[C@@H]5N)c23)ccc1Oc1ccn2ncnc2c1 |r|

Cc1cc(Nc2ncnn3ccc(CN4[C@H]5CC[C@@H]4C[C@@H](N)C5)c23)ccc1Oc1ccn2ncnc2c1 |r,THB:13:14:22.20.19:16.17|

Cc1cc(Nc2ncnn3ccc(CN4CCC(C)(N)CC4)c23)ccc1Oc1ccn2ncnc2c1

Cc1cc(Nc2ncnn3ccc(CN4CCC(O)CC4)c23)ccc1Oc1ccn2ncnc2c1

COCCNC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1

COCC1(N)CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1

Cc1cc(Nc2ncnn3ccc(CN4CC[C@H](N)[C@@H](F)C4)c23)ccc1Oc1ccn2ncnc2c1 |r|

CO[C@H]1CN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC[C@@H]1N |r|

NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(c4)C(F)(F)F)c23)CC1

Cc1c(F)c(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1

NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4F)c23)CC1

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|

OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|

CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1

Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1

CCN(CC)CCCC(C)Nc1nc(\C=C\c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12

Nc1ncnc2n(nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|

CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|

Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|

[H][C@@]1(CCCN(C1)C(=O)C(=C\C(C)(C)N1CCN(CC1)C1COC1)\C#N)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|

Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(COc3cccc(c3)C(F)(F)F)cc2)c1

Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2cccc3Sc4ccccc4Sc23)c1

Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccccc2COc2cccc(c2)C(F)(F)F)c1

Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(s2)-c2cccs2)c1

COCCc1ccc(OCc2ccc(cc2)-c2cc(cc(c2)S(=O)(=O)NCCc2cccc(F)c2)C(F)(F)F)cc1

NC(=O)C(=C\c1cccc(c1)-c1cccc2[nH]ncc12)\C#N

Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12 |r|

Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c2c1C)C(N)=O

Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O

Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O

N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|

OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12 |r|

Fc1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|

CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)N4CCN(C)CC4)c3)ccc12

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|

Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(NC(=O)C=C)cc1 |(12.65,-38.72,;11.4,-37.83,;9.94,-38.31,;9.03,-37.07,;9.93,-35.82,;9.6,-34.32,;10.73,-33.29,;12.2,-33.76,;13.34,-32.72,;12.53,-35.26,;11.39,-36.29,;9.47,-39.77,;10.38,-41.01,;9.48,-42.26,;8.02,-41.79,;8.01,-40.26,;6.68,-39.48,;6.68,-37.94,;5.35,-40.26,;5.35,-41.8,;6.68,-42.56,;6.68,-44.1,;11.92,-41,;12.69,-42.33,;14.23,-42.32,;15,-40.98,;16.54,-40.97,;17.3,-39.63,;16.52,-38.3,;18.84,-39.62,;19.6,-38.28,;14.21,-39.65,;12.67,-39.66,)|

Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(CNC(=O)C=C)cc1 |(28.79,-8.39,;27.54,-7.5,;26.08,-7.98,;25.16,-6.74,;26.06,-5.49,;25.74,-3.99,;26.87,-2.96,;28.34,-3.43,;29.48,-2.39,;28.66,-4.93,;27.53,-5.96,;25.61,-9.44,;26.52,-10.68,;25.62,-11.92,;24.16,-11.46,;24.15,-9.93,;22.82,-9.15,;22.82,-7.61,;21.49,-9.93,;21.49,-11.47,;22.82,-12.23,;22.82,-13.77,;28.05,-10.67,;28.83,-12,;30.37,-11.99,;31.13,-10.65,;32.67,-10.64,;33.45,-11.97,;34.99,-11.96,;35.75,-10.62,;35.77,-13.29,;37.31,-13.28,;30.35,-9.32,;28.81,-9.33,)|

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|

CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1

COc1cc2ncnc3Nc4cc(Br)ccc4CN(C)CCCCCOc1cc23

C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 |r,c:34|

Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|

C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5

CC#CC(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5

CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

COc1cc(C)cc2cc(sc12)-c1cn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|

Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCCCC1 |c:10|

Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCOCC1 |c:10|

Fc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1 |c:15|

CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12

NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O

C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(nc12)-c1cnn(C)c1 |r|

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

CN1CCC2(CC2CCOc2cc3nccc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)CC1

CN(Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c12)C(=O)C=C

C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

CCc1ccnc(NC(=O)c2ccc(Oc3ccnc4ccc(NC(=O)C=C)cc34)cc2)c1

CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1

COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCCN1CCOCC1

[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|

Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O

CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1,4.5,;-2.28,3.77,;-3.62,4.54,;-4.95,3.77,;-6.28,4.54,;-7.62,3.77,;-8.95,4.54,;-10.28,3.77,;-10.28,2.23,;-8.95,1.46,;-7.62,2.23,;-4.95,2.23,;-3.62,1.46,;-2.28,2.23,;-.95,1.46,;-.95,-.08,;-2.28,-.85,;-2.28,-2.39,;-.95,-3.16,;.39,-2.39,;1.85,-2.87,;2.76,-1.62,;4.29,-1.65,;5.09,-.33,;5.04,-3,;6.58,-3,;7.49,-1.75,;8.95,-2.23,;8.95,-3.77,;7.49,-4.24,;10.28,-4.54,;10.28,-6.08,;11.62,-3.77,;11.62,-2.23,;1.72,-.08,;1.72,1.46,;.39,2.23,;.39,3.77,;.39,-.85,)|

CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O

CS(=O)(=O)c1nccc(n1)-c1c(nc2sccn12)-c1cccc(OCc2ccccc2)c1

C(Oc1cccc(c1)-c1nc2sccn2c1-c1ccncn1)c1ccccc1

CC(C)n1cc(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]c3ncnc(N)c23)c(=O)c(c1)-c1ccc(F)cc1

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C

C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|

CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12

CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|

CC(C)(\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|

CC#CC(=O)N1CCC[C@H]1n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)ncnc12 |r|

NC(=O)C1C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1c1ccc(Oc2ccccc2)cc1 |r,c:22|

CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1

C[C@@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|

Brc1c[nH]c2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc12

ClCCC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1

Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4

Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br |r|

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CN(C)C(=O)Cc1ccc(C(=O)c2nn([C@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C |r|

COc1cc(cc(OC)c1C)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|

COc1cc2ncnc(NCCOc3ccccc3F)c2cc1OC

CCOc1cc(ccc1Nc1ncc2cc(-c3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)c(=O)n(C[C@H]3CCCO3)c2n1)N1CCN(C)CC1 |r|

C=CC(=O)N1CC[C@H](C1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23 |r|

COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(/C=C/c4ncc(C5CC5)o4)c3)n2)C1

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|

COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1

CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl

CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br

Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1

Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4scc(-c5ccccc5)c34)c(F)c2)c1=O

CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21

CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O

CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C

Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCN4CCOCC4)cc23)cc1Cl

CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)C(C)C

CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Cl

CCCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1

CCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

Brc1cccc(Nc2ncnc3ccc(NC(=O)C#C)cc23)c1

CCN(CC)CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

Fc1ccc(Nc2ncnc3ccc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Cl

CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Br)c4)ncnc3cn2)CC1

CC(C)N(CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1)C(C)C

Brc1cccc(Nc2ncnc3cnc(NC(=O)C#C)cc23)c1

Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCCCC4)cc23)cc1Cl

CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

CCCCN(CCCC)CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

CCN(CC)CCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

CCCCN(CCCC)CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Br

Fc1ccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCOCC4)cc23)cc1Cl

COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC

CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC

CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC

CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

c1cc(cc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F

Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)Nc1cccc(c1)N1CCOCC1

Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1

Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1

Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C

Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)NC1CC1

Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1

Cc1ccc(cc1-c1ccc2c(c1)nnn(CC1CC1)c2=O)C(=O)NC1CC1

Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)NC1CC1

Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2C)-c2nnc(C)o2)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3ccncc3c2)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3c(N)noc3c2)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2)-c2csc(N)n2)CC1

Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r|

Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1

CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12

C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|

CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O

CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6

CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O

FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl

c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO

Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl

Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl

Nc1ncnc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C

Fc1ccc2ccn(-c3ccc(=O)n(CCOc4ccnc5cc(OCCCN6CCOCC6)ccc45)n3)c2c1

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21

CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N

Cn1cc(cn1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

Cn1cc(cn1)-c1ccc2ncnc(Nc3ccc4ncccc4c3)c2c1

Cn1cc(cn1)-c1ccc2ncnc(Nc3cccc(c3)C#C)c2c1

Fc1ccc(Nc2ncnc3ccc(cc23)-c2cnn(c2)C2CCNCC2)cc1Cl

C1CC(CCN1)n1cc(cn1)-c1ccc2ncnc(Nc3ccc4ncccc4c3)c2c1

CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccn5)ccc4c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc4N(Cc5ccccn5)CCc4c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(cc3)C(O)c3ccccc3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc2cc1OC

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CCC[C@H]1C |r|

COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1

Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl

O=C(Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1)\C=C\CN1CCCC1

CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1

CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)nc3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(NCc4ccccc4)cc3)ncnc2cc1OC

CCOc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN(C)C

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1

CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ccc4c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccncc5)ccc4c3)ncnc2cc1OC

COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCCCC1

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1

CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5cccnc5)ccc4c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccco5)ccc4c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(Oc4cccc(F)c4)cc3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(Oc4cccnc4)cc3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(OCc4ccncc4)cc3)ncnc2cc1OC

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCCC1

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H](C)N[C@H](C)C1 |r|

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C

COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1

CCOc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN1CCOCC1

COc1cc2ncnc(Nc3ccc(Cc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1

CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1

CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

CN1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1

O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1

Fc1cccc(COc2ccc(Nc3ncnc4cnc(NC(=O)\C=C\CN5CCCC5)cc34)cc2Cl)c1

CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(CCc4ccccc4)cc3)ncnc2cc1OC

CCOc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN1CCCC1

O=C(Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1)\C=C\CN1CCCC1

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C

CCC(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OC

CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1

COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1

CCC(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cc1OC

CN1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(Cc5ccccn5)cc4)ncnc3cn2)CC1

CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)c(F)c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccn5)ncc4c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc4N(Cc5ccccc5)CCc4c3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(Oc4ccc5OCOc5c4)cc3)ncnc2cc1OC

CCC(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)cc3)ncnc2cc1OC

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCOCC1

CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CNC[C@H]1C |r|

CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC1

CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCOCC1

Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCOCC4)cc23)cc1Cl

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cn1

CCC(=O)Nc1cc2c(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)ncnc2cc1OC

CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1

COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1

CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4