Compound Name

SMILES String

Cn1ncc2c(cccc12)-c1cccn2nc(Nc3ccc4CCN(CCc4c3)C(=O)OC(C)(C)C)nc12

CS(=O)(=O)c1ccc(cc1)C(=C)n1nc(NC(=O)Nc2ccc(cc2)N2CCNCC2)nc1C=C

C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 |r|

C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1

C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCOCC2)cc1

C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1

C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCn2ccnc2)cc1

CC(C)N(CCOc1ccc(cc1)-c1oc2nccc(NCCN3CCNCC3)c2c1-c1ccccc1)C(C)C

C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1

C(Cc1ccncc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1

C(Cc1cccnc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1

C(CNc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1)Cn1ccnc1

Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C

CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O

O=C1c2ccccc2-c2n[nH]c3cccc1c23

CN1CCN(CC1)c1ccc(Nc2ncc3[nH]nc(-c4ccccc4)c3n2)cc1

Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1

Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F

Cc1ccc(cc1C(=O)Nc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F

Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1

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

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1

Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1

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

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cncnc1

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCCN2CCOCC2)nc1

CN1CCC(CC1)Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(C)=O)ccc3C)cn2)cc1

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3C)cn2)cc1

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccccc4)ccc3C)cn2)cc1

COc1ccccc1C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)ccc3C)cn2)cc1

Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3C)cn2)cc1

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc(cc4)C(C)(C)C)ccc3C)cn2)cc1

COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3Cl)cn2)cc1

CCc1ccc(NC(=O)c2ccc3OC(F)(F)Oc3c2)cc1C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(C)ccc(NC(=O)c4cccc(c4)C(F)(F)F)c3C)cn2)cc1

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)cc1

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

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

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

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

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

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

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

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

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

[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|

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

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

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

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

C[C@@H]1CCC(CC1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:20|

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(Cl)cn1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(cnc2[nH]1)C(=O)c1ccc(Oc2ccccc2F)cc1OCC(C)NN

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(Cc3ccc(nc3)N3CC=CC=C3)cnc2[nH]1 |c:37,39|

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(Cc3ccc4C=CCNc4n3)cnc2[nH]1 |c:32|

Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2cc(cnc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1

C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(C)(=O)=O)cc23)C(N)=O)C1(C)C |r|

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(\C)=C\CN(C)C)c3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ncco3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(C3CCOCC3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cnco3)c12

N(c1nc2ccccn2n1)c1ccccc1

COc1ccccc1-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12

CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5

C1CN(CCO1)c1ccc(Nc2nc3c(cccn3n2)-c2cccnc2)cc1

COc1ccc(cn1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12

C1CN(CCO1)c1ccc(Nc2nc3c(cccn3n2)-c2ccncc2)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3ccc(cc3)N3CCOCC3)nn12

CS(=O)(=O)c1cccc(c1)-c1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12

C(CN1CCCC1)Oc1ccc(Nc2nc3c(cccn3n2)-c2ccncc2)cc1

CS(=O)(=O)c1cccc(c1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCCCC3)nc12

COc1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

COc1ccccc1Nc1nc2c(cccn2n1)-c1ccc(cc1)C(F)(F)F

COc1ccccc1Nc1nc2c(cccn2n1)-c1cccc(c1)C(F)(F)F

COc1ccccc1Nc1nc2c(cccn2n1)-c1ccccc1

CNC(=O)c1cccc(c1)-c1cccn2nc(Nc3ccccc3OC)nc12

CNC(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccccc3OC)nc12

COc1ccccc1Nc1nc2c(cccn2n1)-c1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(OCCN4CCOCC4)cc3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12

CC1(C)CCC(C)(C)c2cc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)ccc12

CS(=O)(=O)c1cccc(c1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12

COc1ccc(Nc2nc3c(cccn3n2)N2CCN(C)CC2)cc1

COc1ccc(Nc2nc3c(cccn3n2)N2CCS(=O)(=O)CC2)cc1

CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

COc1ccc(Nc2nc3c(cccn3n2)N2CCN(CC2)S(C)(=O)=O)cc1

COc1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)S(C)(=O)=O)cc1 |t:18|

CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CS(=O)(=O)c1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3)N3CCOCC3)nn2c1

CN1CCN(CC1)c1ccc(Nc2nc3ccc(cn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

COc1ccc(Nc2nc3c(Nc4ccc(cc4)S(C)(=O)=O)cccn3n2)cc1

COc1ccc(Nc2nc3c(cccn3n2)-c2cn[nH]c2)cc1

COc1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

COc1ccc(Nc2nc3c(NC4CCN(CC4)S(C)(=O)=O)cccn3n2)cc1

COc1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)S(C)(=O)=O)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(CN4CCOCC4)cc3)nc12

CN1CCN(Cc2ccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)cc2)CC1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCOCC4)c3)nc12

COc1ccc(Nc2nc3c(Nc4ccccc4S(C)(=O)=O)cccn3n2)cc1

CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(CS(C)(=O)=O)cc2)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCC(CC3)N3CCOCC3)nc12

CN1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12

CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12

CN(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12

COc1ccccc1-c1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12

COc1ccccc1-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12

CN1CCN(CC1)C1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2cccc(c2)S(C)(=O)=O)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2cccc(c2)S(C)(=O)=O)c1

CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CN(c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C(F)(F)F)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C(F)(F)F)c1

CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccccc2S(C)(=O)=O)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccccc2S(C)(=O)=O)c1

CN1CCN(CC1)c1cccc(Nc2nc3c(Nc4ccccc4S(C)(=O)=O)cccn3n2)c1

CS(=O)(=O)c1ccccc1Nc1nc2c(Nc3ccccc3S(C)(=O)=O)cccn2n1

CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1

CN1CCN(CC1)c1cccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)c1

CN1CCN(CC1)c1ccc(Nc2nc3c(Nc4ccccc4S(C)(=O)=O)cccn3n2)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3ccc(OCCN4CCCC4)cc3)nn12

CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1

C(CN1CCCC1)Oc1ccc(Nc2nc3cccc(-c4ccccc4)n3n2)cc1

CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccccc4)n3n2)cc1

CS(=O)(=O)c1cccc(c1)-c1cccc2nc(Nc3ccc(cc3)N3CCOCC3)nn12

COc1cccc(Nc2nc3cccc(-c4cccc(c4)S(C)(=O)=O)n3n2)c1

COc1ccccc1Nc1nc2cccc(-c3cccc(c3)S(C)(=O)=O)n2n1

CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1

CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4cccc(c4)S(C)(=O)=O)n3n2)cc1

CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4cccc(NS(C)(=O)=O)c4)n3n2)cc1

CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)n3n2)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3ccc(CN4CCOCC4)cc3)nn12

CN1CCN(Cc2ccc(Nc3nc4cccc(-c5ccc(cc5)S(C)(=O)=O)n4n3)cc2)CC1

CS(=O)(=O)c1cccc(c1)-c1cccc2nc(Nc3ccc(CN4CCOCC4)cc3)nn12

CN1CCN(Cc2ccc(Nc3nc4cccc(-c5cccc(c5)S(C)(=O)=O)n4n3)cc2)CC1

CN1CCN(CC1)c1ccc(NC(=O)Nc2nc3cccc(-c4cccc(c4)S(C)(=O)=O)n3n2)cc1

CN1CCN(CC1)c1ccc(NC(=O)Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1

COc1ccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1

CN1CCN(CC1)c1cccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)c1

CS(=O)(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3cccc(c3)S(C)(=O)=O)nn12

COc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1

CN1CCN(CC1)c1nc2c(NCc3cccc(c3)[N+]([O-])=O)cccn2n1

[O-][N+](=O)c1cccc(CNc2cccn3nc(nc23)N2CCOCC2)c1

NC1CCN(CC1)c1nc2c(NCc3cccnc3)cccn2n1

C(CN1CCOCC1)Nc1nc2c(NCc3cccnc3)cccn2n1

CN1CCN(CC1)c1cccc(Nc2nc3c(cc(cn3n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)c1

CN1CCN(CC1)c1ccc(Nc2nc3c(cc(cn3n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cc1

CN1CCN(CC1)c1ccc(Nc2nc3c(cc(cn3n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cn1

CN1CCN(CC1)c1cccc(c1)N(c1nc2c(cc(F)cn2n1)-c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)N1CCN(C)CC1

CN1CCN(CC1)c1ccc(Nc2nc3c(cc(F)cn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

CN1CCN(CC1)c1cccc(Nc2nc3cncc(-c4ccc(cc4)S(C)(=O)=O)n3n2)c1

CN1CCN(CC1)c1cncc(Nc2nc3cncc(-c4ccc(cc4)S(C)(=O)=O)n3n2)c1

CN1CCN(CC1)c1ccc(Nc2nc3c(Nc4cccc(c4)S(C)(=O)=O)cccn3n2)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(Nc4cccc(c4)S(C)(=O)=O)cccn3n2)c1

CN(c1ncccc1Nc1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)S(C)(=O)=O)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(CN4CCS(=O)(=O)CC4)cc3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3ccc(CN4CCS(=O)(=O)CC4)cc3)nn12

CN1CCN(Cc2cccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)c2)CC1

CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3cccc(CN4CCOCC4)c3)nn12

CN1CCN(Cc2cccc(Nc3nc4cccc(-c5ccc(cc5)S(C)(=O)=O)n4n3)c2)CC1

CN(c1ccc(cc1)-c1cccn2nc(Nc3ccc(CN4CCS(=O)(=O)CC4)cc3)nc12)S(C)(=O)=O

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nn12

CN(c1ncccc1CNc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ncccc1CNc1cccn2nc(Nc3ccc(cc3)C3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ncccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

CN1CCC(CC1)c1ccc(Nc2nc3c(Nc4ccccc4S(C)(=O)=O)cccn3n2)cc1

CS(=O)(=O)c1ccccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12

CN(c1cccc(c1)-c1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1cccc(c1)-c1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

CN(c1cccc(c1)-c1cccn2nc(Nc3cccc(c3)C3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ccccc1-c1cccn2nc(Nc3cccc(c3)C3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ncccc1Nc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ncccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

CN(c1ncccc1Nc1cccn2nc(Nc3ccc(cc3)C3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ncccc1CNc1cccn2nc(Nc3ccc(cc3)S(C)(=O)=O)nc12)S(C)(=O)=O

CN(c1ncccc1CNc1cccn2nc(Nc3cccc(c3)S(C)(=O)=O)nc12)S(C)(=O)=O

CN(c1ncccc1CNc1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)S(C)(=O)=O

COc1cc(ccc1Nc1nc2c(NCc3cccnc3N(C)S(C)(=O)=O)cccn2n1)N1CCN(C)CC1

CN1CCN(CC1)c1ccc(Nc2nc3c(NCc4ccccc4S(C)(=O)=O)cccn3n2)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(NCc4ccccc4S(C)(=O)=O)cccn3n2)c1

CN1CCC(CC1)c1ccc(Nc2nc3c(NCc4ccccc4S(C)(=O)=O)cccn3n2)cc1

CS(=O)(=O)c1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12

C[C@H](O)CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 |r|

C[C@@H](O)CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 |r|

CC(C)(O)CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc4CCC(CCc4c3)N3CCOCC3)nc12

CN(c1ncccc1CNc1cccn2nc(Nc3ccc4N(C)C(=O)Cc4c3)nc12)S(C)(=O)=O

CN(c1ccccc1CNc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ccccc1CNc1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ccccc1CNc1cccn2nc(Nc3ccc(cc3)C3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

CN1CCN(CC1)c1ccc(Nc2nc3c(NCc4cccnc4)cccn3n2)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(CCO)CC3)nc12

CN1CCN(CC1)c1cccc(Nc2nc3c(NCc4cccnc4)cccn3n2)c1

C(CN1CCCC1)Oc1ccc(Nc2nc3c(NCc4cccnc4)cccn3n2)cc1

CN(c1ncccc1CNc1cccn2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)nc12)S(C)(=O)=O

CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(Cc1ccccc1CNc1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(cc3)C3CCN(C)CC3)nc12)S(C)(=O)=O

CN1CCN(CC1)c1ccc(Nc2nc3c(NCc4cccc(c4)S(C)(=O)=O)cccn3n2)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(NCc4cccc(c4)S(C)(=O)=O)cccn3n2)c1

CN1CCC(CC1)c1ccc(Nc2nc3c(NCc4cccc(c4)S(C)(=O)=O)cccn3n2)cc1

CN1CCN(CC1)c1ccc(Nc2nc3c(NCC4CCN(C4)C(=O)OC(C)(C)C)cccn3n2)cc1

CN1CCN(CC1)c1ccc(Nc2nc3c(Nc4ccccc4CS(C)(=O)=O)cccn3n2)cc1

CN1CCC(CC1)c1ccc(Nc2nc3c(Nc4ccccc4CS(C)(=O)=O)cccn3n2)cc1

CN(c1ncccc1CNc1cccn2nc(Nc3ccc4CN(C)Cc4c3)nc12)S(C)(=O)=O

CN(c1ccccc1CNc1cccn2nc(Nc3ccc4CN(C)Cc4c3)nc12)S(C)(=O)=O

CN1Cc2ccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)cc2C1

CN(c1cccc(CNc2cccn3nc(Nc4ccc(cc4)N4CCN(C)CC4)nc23)c1)S(C)(=O)=O

CN1CCN(CC1)c1ccc(Nc2nc3c(NCC4CCCN4S(C)(=O)=O)cccn3n2)cc1

CN(Cc1ccccc1Nc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(Cc1ccccc1Nc1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(Cc1ccccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

CN(Cc1ccccc1Nc1cccn2nc(Nc3ccc(cc3)C3CCN(C)CC3)nc12)S(C)(=O)=O

CN(Cc1cccc(c1)-c1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(Cc1cccc(c1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(Cc1cccc(c1)-c1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

CN(Cc1cccc(c1)-c1cccn2nc(Nc3ccc(cc3)C3CCN(C)CC3)nc12)S(C)(=O)=O

CC(C)(C)OC(=O)N1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CC(C)(C)OC(=O)N1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCNCC3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)C3CCNCC3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(CC(N)=O)CC3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)C3CCN(CC(N)=O)CC3)nc12

CN(Cc1ccccc1N(C)S(C)(=O)=O)c1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 |r|

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(CCCF)CC3)nc12

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)[C@@H]3CCNC[C@@H]3O)nc12 |r|

CN(c1ccccc1C#Cc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CS(=O)(=O)CCN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)[C@@H]3CCN(CC(N)=O)C[C@@H]3O)nc12 |r|

CN(c1ccccc1C#Cc1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ccccc1C#Cc1cccn2nc(Nc3ccc4CN(C)Cc4c3)nc12)S(C)(=O)=O

CN(c1ccccc1CCc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN(c1ccccc1COc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)S(C)(=O)=O

CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)P(C)(C)=O)c1

CN1CCN(C(=O)C1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CCN1CCN(C(=O)C1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CN1CCN(C(=O)C1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)P(C)(C)=O)c1

CCn1cc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cn1

Cc1nn(C)c(C)c1Nc1nc2c(cccn2n1)-c1ccc(cc1)S(C)(=O)=O

CCn1cc(Nc2nc3c(Oc4ccc(cc4)S(C)(=O)=O)cccn3n2)cn1

CC(C)(C)OC(=O)N1CCC(CC1)n1cc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cn1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)C3CCNCC3)nc12

CN1CCN(CC1)c1cccc(Nc2nc3c(Oc4ccc(cc4)S(C)(=O)=O)cccn3n2)c1

CCn1cc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C(F)(F)F)cn1

FC(F)(F)c1ccc(cc1)-c1cccn2nc(Nc3cnn(CCN4CCCC4)c3)nc12

CS(=O)(=O)c1ccc(Oc2cccn3nc(Nc4cnn(CCN5CCCC5)c4)nc23)cc1

CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cnn(CCN4CCCC4)c3)nc12

Oc1cccn2nc(Nc3ccc(cc3)C(F)(F)F)nc12

COCc1ccccc1-c1cccc2nc(Nc3ccc4CCN(CCc4c3)C(=O)OC(C)(C)C)nn12

C1CN(c2nc3cccc(N4CCCc5ccccc45)n3n2)c2ccccc2C1

COCc1ccccc1-c1cccc2nc(Nc3ccc4CCNCCc4c3)nn12

COCc1ccccc1-c1cccc2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nn12

COCc1ccccc1-c1cccc2nc(Nc3ccc4CCN(CCS(C)(=O)=O)CCc4c3)nn12

COc1ccc(cc1-c1cccc2nc(Nc3ccc4CCNCCc4c3)nn12)C(F)(F)F

COc1ccc(cc1-c1cccc2nc(Nc3ccc4CCN(CCSC)CCc4c3)nn12)C(F)(F)F

COc1cc(ccc1-c1cccc2nc(Nc3ccc4CCNCCc4c3)nn12)C(F)(F)F

COc1ccc(cc1-c1cccc2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nn12)C(F)(F)F

COc1cc(ccc1-c1cccc2nc(Nc3ccc4CCN(CCS(C)(=O)=O)CCc4c3)nn12)C(F)(F)F

CCOc1ccccc1-c1cccn2nc(Nc3ccc4CCN(CCc4c3)C(=O)OC(C)(C)C)nc12

CCOc1ccccc1-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12

CC(C)(C)OC(=O)N1CCc2ccc(Nc3nc4c(cccn4n3)-c3cccc4OC(F)(F)Oc34)cc2CC1

FC1(F)Oc2cccc(c2O1)-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12

CCOc1ccccc1-c1cccn2nc(Nc3ccc4CCN(CCS(C)(=O)=O)CCc4c3)nc12

CCOc1ccccc1-c1cccn2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nc12

CS(=O)(=O)CCN1CCc2ccc(Nc3nc4c(cccn4n3)-c3cccc4OC(F)(F)Oc34)cc2CC1

CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(cccn4n3)-c3cccc4OC(F)(F)Oc34)cc2CC1

COc1ccc(cc1-c1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3cccc(c3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3cccc(c3)C3CCNCC3)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3ccc(OCCN4CCOCC4)cc3)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nc3c(OCc4cccc(Cl)c4)cccn3n2)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(OCc4cccc(Cl)c4)cccn3n2)c1

CN1CCN(CC1)c1ccc(Nc2nc3c(OCc4ccccc4C#N)cccn3n2)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(OCc4ccccc4C#N)cccn3n2)c1

CN1CCN(CC1)c1ccc(Nc2nc3c(O)cccn3n2)cc1

Cc1cccn2nc(Nc3ccc(cc3)S(C)(=O)=O)nc12

CN1CCN(CC1)c1cccc(Nc2nc3c(OCc4ccccc4C(N)=O)cccn3n2)c1

CC(=O)Nc1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

CS(=O)(=O)CCN1CCc2ccc(Nc3nc4c(cccn4n3)-c3cc(ccc3Cl)C(F)(F)F)cc2CC1

CC(C)(C)OC(=O)N1CCc2ccc(Nc3nc4c(cccn4n3)-c3cc(ccc3F)C(F)(F)F)cc2CC1

Fc1ccc(cc1-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12)C(F)(F)F

COc1ncccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12

COc1ncccc1-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

COc1ncccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12

COc1ncccc1-c1cccn2nc(Nc3ccc4ncccc4c3)nc12

CN(C)C(=O)CN1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc[nH]c2=O)cc1

O=c1[nH]cccc1-c1cccn2nc(Nc3ccc4ncccc4c3)nc12

COc1ncc(cc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12)C(F)(F)F

COc1ncc(cc1-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12)C(F)(F)F

COc1ncc(cc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12)C(F)(F)F

CC(C)(C)OC(=O)N1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)-c2ccc(F)cc2)cc1

CC(=O)Nc1ccc(Sc2cccn3nc(Nc4ccc(cc4)C4CCN(CC4)C(=O)OC(C)(C)C)nc23)cc1

Fc1ccc(cc1)-n1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

CN(C)C(=O)CN1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)-c2ccc(F)cc2)cc1

COc1cnc(cn1)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12

COc1cnc(cn1)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

COc1cnc(cn1)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12

Cc1ccc(cc1)-n1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12

CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2cnn(c2)-c2ccc(F)cc2)c1

Cc1ccc(cc1)-n1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

COc1ccc(cc1Nc1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12)C(F)(F)F

CC(C)COc1ccccc1-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12

CC(C)COc1cccc(c1)-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12

CC(C)COc1cc(C)ccc1-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12

Cn1ncc2c(cccc12)-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12

COc1ccccc1-c1cccn2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nc12

COc1ccccc1-c1cccn2nc(Nc3ccc4CCN(CCS(C)(=O)=O)CCc4c3)nc12

COc1ccc(cc1-c1cccn2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nc12)C(F)(F)F

CCOc1ccc(cc1-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12)C(F)(F)F

CCOc1ccc(cc1-c1cccn2nc(Nc3ccc4CCN(CCS(C)(=O)=O)CCc4c3)nc12)C(F)(F)F

CCOc1ccc(cc1-c1cccn2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3ccc4CCN(CCS(C)(=O)=O)CCc4c3)nc12)C(F)(F)F

COc1ccc(F)cc1-c1cccn2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nc12

COc1cc(F)ccc1-c1cccn2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nc12

COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nc12

CC(C)Oc1ccc(cc1-c1cccn2nc(Nc3ccc4CCN(CC(=O)N(C)C)CCc4c3)nc12)C(F)(F)F

CN(C)C(=O)CN1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2cc(ccc2OCC(F)F)C(F)(F)F)cc1

FC(F)COc1ccc(cc1-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12)C(F)(F)F

CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(cccn4n3)-c3cc(ccc3OCC(F)F)C(F)(F)F)cc2CC1

COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12

COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc4CN(CC(=O)N(C)C)CCc4c3)nc12

COc1cc(Cl)ccc1-c1cccn2nc(Nc3cccc(c3)C3CCN(CC(=O)N(C)C)CC3)nc12

COc1ccc(cc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3ccc4CN(CCc4c3)C(=O)OC(C)(C)C)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3ccc4CNCCc4c3)nc12)C(F)(F)F

COc1ccc(cc1-c1cccn2nc(Nc3ccc4CN(CC(=O)N(C)C)CCc4c3)nc12)C(F)(F)F

COc1cc(ccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12)C(F)F

COc1cc(ccc1-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12)C(F)F

COc1cc(ccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12)C(F)F

CC(C)(C)OC(=O)N1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(F)cc2)cc1

Fc1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

COc1cccc(c1)-c1cccn2nc(Nc3ccc4CNCc4c3)nc12

CN(C)C(=O)CN1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(F)cc2)cc1

COc1cccc(c1)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

COc1cccc(c1)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12

COc1cccc(c1F)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12

COc1cccc(c1F)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

COc1cccc(c1F)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12

COc1cccc(c1OC)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12

COc1cccc(c1OC)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

COc1cccc(c1OC)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12

CC(C)(C)OC(=O)N1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C#N)cc1

N#Cc1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

CN(C)C(=O)CN1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C#N)cc1

COc1ccc(c(F)c1)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12

COc1ccc(c(F)c1)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

CN(C)c1cccc(c1)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC3)C(=O)OC(C)(C)C)nc12

COc1ccc(c(F)c1)-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12

CN(C)c1cccc(c1)-c1cccn2nc(Nc3ccc(cc3)C3CCNCC3)nc12

CN(C)C(=O)CN1CCC(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2cccc(c2)N(C)C)cc1

CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(F)cc2)c1

FC(F)COc1ccccc1-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12

CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(cccn4n3)-c3ccccc3OCC(F)F)cc2CC1

CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(cccn4n3)-c3cc(Cl)ccc3OCC(F)F)cc2CC1

FC(F)COc1ccc(cc1-c1cccn2nc(Nc3ccc4CCNCCc4c3)nc12)C(F)F

CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(cccn4n3)-c3cc(ccc3OCC(F)F)C(F)F)cc2CC1

COc1ccccc1CNc1cccn2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc12

COc1ccc(cc1-c1cccn2nc(Nc3cccc(c3)C3CCN(CC(=O)N(C)C)CC3)nc12)C(F)(F)F

CCN1CCP(=O)(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1

CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|

CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1

NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|

O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1

O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1

FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1

ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

CN(C)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

O=C(CN1CCCC1)Nc1cccc(c1)-c1cnc2ccccc2n1

Clc1ccc(cc1)N1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1

ClCCCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

O=C(Cn1cncn1)Nc1cccc(c1)-c1cnc2ccccc2n1

O=C(CC#N)Nc1cccc(c1)-c1cnc2ccccc2n1

O=C(CN1CCCCC1)Nc1cccc(c1)-c1cnc2ccccc2n1

COc1ccc(NC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)cc1

CNC(=S)Nc1cccc(c1)-c1cnc2ccccc2n1

O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)c1ccco1

O=S(=O)(Nc1cccc(c1)-c1cnc2ccccc2n1)c1cccs1

O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)C1CC1

CS(=O)(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

O=C(CN1CCN(CC1)c1ccccc1)Nc1cccc(c1)-c1cnc2ccccc2n1

CN1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1

ClC(Cl)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

ClCCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

O=C(CN1CCOCC1)Nc1cccc(c1)-c1cnc2ccccc2n1

CC(Cl)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

C=CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

C=CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

BrCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

CSCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

FC(F)(F)C(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

CS(=O)(=O)OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

CC(=O)OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

CC(=O)SCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

CC(Nc1cccc(c1)-c1cnc2ccccc2n1)=C1CCOC1=O |w:1.0|

CCOC(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

O=C(CN1CCN(CC1)c1ccncc1)Nc1cccc(c1)-c1cnc2ccccc2n1

OC1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1

O=C(CN1CCNCC1)Nc1cccc(c1)-c1cnc2ccccc2n1

NS(=O)(=O)CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12

O=C(CC#N)N1CCC11CCCN(C1)c1ncnc2[nH]ccc12

FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12

FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12

CC1CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12

O=C(CC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

CN(CCC#N)C(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

CC1CC2(CCCN(C2)c2ncnc3[nH]ccc23)N1C(=O)CC#N

CC1CN(CC2(CCN2C(=O)CC#N)C1)c1ncnc2[nH]ccc12

O=C(CC#N)N1CCC11CCN(C1)c1ncnc2[nH]ccc12

CC1CCC2(CCN2C(=O)CC#N)CN1c1ncnc2[nH]ccc12

CC1N(CCC11CCN1C(=O)CC#N)c1ncnc2[nH]ccc12

CC1(C)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12

C=CCOCCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

CC(O)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

FC1(F)CCN(CC11CCCN1C(=O)CC#N)c1ncnc2[nH]ccc12

FC1(F)CN(CC11CCCN1C(=O)CC#N)c1ncnc2[nH]ccc12

CC1CC2(CCCN2C(=O)CC#N)CN1c1ncnc2[nH]ccc12

CC1N(CCC11CCCN1C(=O)CC#N)c1ncnc2[nH]ccc12

CC1(C)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12

COCCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

CC1CCN(C(=O)CC#N)C11CN(CC1(F)F)c1ncnc2[nH]ccc12

CC1(C)CCN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12

C[C@H](O)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 |r|

OCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

CO[C@@H](C)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 |r|

CO[C@H](C)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 |r|

C[C@H](OC(C)=O)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 |r|

COCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

CCNC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

CC(=O)OCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

O=C(NCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

N#CCCN1CCCC11CCN(C1)c1ncnc2[nH]ccc12

CC1CCN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12

FC1(F)CCN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12

FC1(F)CCN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12

O=C(CC#N)N1CCC11CCCCN(C1)c1ncnc2[nH]ccc12

O=C(NCCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

CC1CCN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12

COC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

O=C(NCC#N)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

CN(CC#N)C(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

O=C(N1CCCC11CCN(C1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N

O=C(N1CCCC11CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N

O=C(NCCC#N)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

CCCNC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

COC(=O)CCC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

[O-][N+](=O)c1ccc(OC(=O)N2CCCC22CCN(C2)c2ncnc3[nH]ccc23)cc1

OCC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

O=C(N1CCCC11CCN(C1)c1ncnc2[nH]ccc12)C1(CC1)C#N

O=C(CC#N)N1CCCCCC11CCCN(C1)c1ncnc2[nH]ccc12

CC(C)(C)OC(=O)N1CCCCCC11CCCN(C1)c1ncnc2[nH]ccc12

O=C(CC#N)N1CCCCC11CCN(C1)c1ncnc2[nH]ccc12

CC(=O)N1CCCCC11CCN(C1)c1ncnc2[nH]ccc12

CC(C)(C)OC(=O)N1CCCCC11CCN(C1)c1ncnc2[nH]ccc12

CC(=O)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12

O=C(CC#N)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12

CC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

CC(C)C(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

CCC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

O=C(CC#N)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

C1CNC2(C1)CCN(C2)c1ncnc2[nH]ccc12

C(N1CCCC11CCN(C1)c1ncnc2[nH]ccc12)c1ccccc1

Clc1cnc2[nH]ncc2c1N1CCC2(CCCN2C(=O)CC#N)C1

Clc1cnc2[nH]ncc2c1N1CCC2(C1)CCCCN2C(=O)CC#N

O=C(CC#N)N1CCCC11CCCN(C1)c1ncnc2nc[nH]c12

O=C(CC#N)N1CCCCC11CCN(C1)c1ncnc2nc[nH]c12

CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

COC(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(=O)N1CCC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

COC(=O)N1CCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1

CC(=O)N1CCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1

CC(=O)N1CC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

COC(=O)N1CC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(=O)N1CCCCC(C1)Nc1ncccc1-c1cnc2[nH]ccc2n1

COC(=O)N1CCCCC(C1)Nc1ncccc1-c1cnc2[nH]ccc2n1

CS(=O)(=O)N1CCCCC(C1)Nc1ncccc1-c1cnc2[nH]ccc2n1

CC(C)S(=O)(=O)N1CCC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CCS(=O)(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CCCS(=O)(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)S(=O)(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CCC(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CCCC(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)C(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CC(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

C[C@H]1C[C@@H](CN(C1)S(C)(=O)=O)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CCCS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CCS(=O)(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)S(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(=O)N1CCCC(C1)Nc1nc(C)ccc1-c1cnc2[nH]ccc2n1

Cc1ccc(c(NC2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1

CC(C)(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

FC(F)(F)CN1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CCS(=O)(=O)N1CCCC(C1)Nc1nc(C)ccc1-c1cnc2[nH]ccc2n1

Cc1ccc(c(NC2CCCN(C2)S(=O)(=O)CC2CC2)n1)-c1cnc2[nH]ccc2n1

Cc1ccc(c(NC2CCCN(C2)S(=O)(=O)CC(C)(C)C)n1)-c1cnc2[nH]ccc2n1

CS(=O)(=O)N1CCCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1

O=S(=O)(CC1CC1)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(=O)N1CCCC(C1)Nc1nc(C)ccc1-c1cnc2[nH]cc(Cl)c2n1

Cc1ccc(c(NC2CCCN(C2)S(=O)(=O)CC2CC2)n1)-c1cnc2[nH]cc(Cl)c2n1

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nccnc1-c1cnc2[nH]ccc2n1 |r|

O=S(=O)(CC#N)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

Cn1ccc2ncc(nc12)-c1cccnc1N[C@H]1CCCN(C1)S(C)(=O)=O |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2nc[nH]c2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ncc2n1 |r|

CCCS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ncc2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ncc2n1 |r|

CCCS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2cc[nH]c2n1 |r|

CCCS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2ccn(C)c2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2ccn(C)c2n1 |r|

CCCS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2nc[nH]c2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2nc[nH]c2n1 |r|

CC(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ncc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2cc[nH]c2n1 |r|

CC(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2ccn(C)c2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nccnc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2cc[nH]c2n1 |r|

CC(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2cc[nH]c2n1 |r|

CC(=O)N1CCCC(C1)Nc1ncccc1-c1cnc2nc[nH]c2n1

CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(C#N)c2n1 |r|

Cc1c[nH]c2ncc(nc12)-c1cccnc1N[C@H]1CCCN(C1)S(C)(=O)=O |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(C3CC3)c2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(Cl)c2n1 |r|

CC(C)CS(=O)(=O)N1CC[C@@H](O)[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CC[C@@H](O)[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CN(C)S(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)(C)NS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncncc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncncc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(N)ncc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N(C)C |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)S(C)(=O)=O |r|

CSc1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CC(C)C)n1)-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCOCC1 |r|

CSc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CN(C)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(N)ncc1-c1cnc2[nH]ccc2n1 |r|

CN(C)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]cc(C#N)c2n1 |r|

CSc1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CCC(C)(C)C)n1)-c1cnc2[nH]ccc2n1 |r|

COc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(Cl)ncc1-c1cnc2[nH]ccc2n1 |r|

CN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1[nH]c(=O)ncc1-c1cnc2[nH]ccc2n1 |r|

CCOc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NCCO)ncc1-c1cnc2[nH]ccc2n1 |r|

COCCNc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCOCC1 |r|

CSc1ncc(c(N[C@H]2CCCN(C2)C(=O)CC#N)n1)-c1cnc2[nH]ccc2n1 |r|

CC(C)(O)CNc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCS(=O)(=O)CC1 |r|

COC1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NCCN)ncc1-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCC(CC(N)=O)CC1 |r|

CC[C@@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CC[C@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CN1CCC(CC1)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CCC(C)(C)C)n1)-c1cnc2[nH]ccc2n1 |r|

CN(C)C1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)C#N |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC[C@H](O)C1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC[C@@H](O)C1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC(C1)C#N |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NC2CCC(CC2)C#N)ncc1-c1cnc2[nH]ccc2n1 |r,wD:8.10,(4.63,8.38,;4.23,6.89,;5.71,7.29,;3.14,7.98,;3.83,5.41,;4.92,4.32,;4.52,2.83,;3.03,2.43,;1.94,3.52,;2.34,5.01,;.45,3.12,;.06,1.63,;1.15,.54,;.75,-.94,;1.84,-2.03,;1.44,-3.52,;-.05,-3.92,;-.45,-5.41,;.64,-6.49,;2.13,-6.1,;2.53,-4.61,;.24,-7.98,;-1.25,-8.38,;-.74,-1.34,;-1.83,-.25,;-1.43,1.23,;-2.52,2.32,;-3.98,1.85,;-5.13,2.88,;-4.81,4.38,;-5.71,5.63,;-4.81,6.88,;-3.34,6.4,;-3.34,4.86,;-2.2,3.83,)|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(CC1)c1ccccn1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCC(CC(O)=O)CC1 |r|

CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(Nc2ccncc2)ncc1-c1cnc2[nH]ccc2n1 |r|

CN(C)CCNc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CCN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CN(C)[C@@H]1CCN(C1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1 |r|

CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1 |r|

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)CC#N)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1 |r|

C[C@H]1C[C@@H](CN(C1)S(C)(=O)=O)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1 |r|

CS(=O)(=O)N1C[C@H](C[C@@H](C1)C(F)(F)F)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CC(C)CS(=O)(=O)N1C[C@H](C[C@@H](C1)C(F)(F)F)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

N#CCC1(COC1)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

C[C@H]1C[C@@H](CN(C1)C1(CC#N)COC1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)CC#N)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

FC(F)(F)C(CC#N)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r|

CN(C1CC[C@H](CS(=O)(=O)N2CC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:13.13,wD:5.5,(-6.62,.53,;-5.29,-.24,;-3.96,.53,;-3.96,2.07,;-2.62,2.84,;-1.29,2.07,;.05,2.84,;1.38,2.07,;.61,.74,;2.15,.74,;2.71,2.84,;2.71,4.38,;4.18,4.86,;5.08,3.61,;6.62,3.61,;4.18,2.37,;-1.29,.53,;-2.62,-.24,;-5.29,-1.78,;-6.62,-2.55,;-6.62,-4.09,;-5.29,-4.86,;-3.96,-4.09,;-2.49,-4.56,;-1.59,-3.32,;-2.49,-2.07,;-3.96,-2.55,)|

CN(C1CC[C@H](CS(=O)(=O)N2CCC(CO)CC2)CC1)c1ncnc2[nH]ccc12 |r,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.69,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.69,;3.33,1.93,;4.67,2.69,;4.67,4.23,;6,5,;7.34,4.23,;3.33,5.01,;2,4.23,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|

CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(7.34,-.38,;6,.39,;6,1.93,;4.67,2.7,;4.67,4.24,;3.33,5.01,;2,4.24,;2,2.7,;3.33,1.93,;.67,1.93,;-.1,.59,;1.44,.59,;-.67,2.7,;-2,1.92,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|

CCC1(CCCN(C1)S(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]ccc12)NC(=O)OCc1ccccc1 |r,wD:12.12,(6.19,5.28,;5.79,3.79,;4.3,3.39,;4.3,4.93,;2.97,5.7,;1.63,4.93,;1.63,3.39,;2.97,2.62,;.3,2.62,;-.47,1.29,;1.07,1.29,;-1.03,3.39,;-2.37,2.62,;-3.7,3.39,;-5.03,2.62,;-5.03,1.08,;-3.7,.31,;-2.37,1.08,;-6.37,.31,;-7.7,1.08,;-6.37,-1.23,;-7.7,-2,;-7.7,-3.54,;-6.37,-4.31,;-5.03,-3.54,;-3.57,-4.02,;-2.66,-2.77,;-3.57,-1.52,;-5.03,-2,;5.39,2.3,;4.62,.97,;3.08,.97,;5.39,-.37,;4.62,-1.7,;5.39,-3.03,;4.62,-4.37,;5.39,-5.7,;6.93,-5.7,;7.7,-4.37,;6.93,-3.03,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(C)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;6,.39,;7.34,2.7,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(F)(F)F)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;7.34,2.7,;6,.39,;7.34,1.16,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)OCC(N)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;2.67,1.93,;5.33,1.93,;5.33,.39,;6.67,-.38,;6.67,-1.92,;8,.39,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CN3CCCC3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.29,.38,;-5.96,-.39,;-4.62,.38,;-4.62,1.92,;-3.29,2.69,;-1.96,1.92,;-.62,2.7,;.71,1.93,;-.06,.59,;1.48,.59,;2.04,2.7,;2.04,4.24,;3.38,5.01,;4.71,4.24,;4.71,2.7,;6.05,1.93,;6.05,.39,;4.8,-.52,;5.28,-1.98,;6.82,-1.98,;7.29,-.52,;3.38,1.93,;-1.96,.38,;-3.29,-.38,;-5.96,-1.93,;-7.29,-2.7,;-7.29,-4.24,;-5.96,-5.01,;-4.62,-4.24,;-3.16,-4.71,;-2.25,-3.47,;-3.16,-2.22,;-4.62,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(-6.31,.03,;-4.98,-.74,;-3.64,.03,;-2.31,-.74,;-.97,.03,;-.97,1.57,;.36,2.34,;.36,3.88,;-1.13,4.27,;.76,5.36,;1.85,3.48,;2.25,1.99,;3.73,1.59,;4.82,2.68,;6.31,2.28,;4.42,4.17,;2.94,4.57,;-2.31,2.34,;-3.64,1.57,;-4.98,-2.28,;-6.31,-3.05,;-6.31,-4.59,;-4.98,-5.36,;-3.64,-4.59,;-2.18,-5.07,;-1.27,-3.82,;-2.18,-2.58,;-3.64,-3.05,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.7,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(N)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;4,1.93,;5.33,2.7,;5.33,4.24,;6.67,5.01,;4,5,;2.67,4.24,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,13.13,wD:5.5,15.15,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5,;5.33,4.24,;6.67,5.01,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,13.13,15.15,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5,;5.33,4.24,;6.67,5.01,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,14.14,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.7,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(COc3ccc(F)cc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-10,.38,;-8.67,-.39,;-7.34,.38,;-7.34,1.92,;-6,2.69,;-4.67,1.92,;-3.33,2.7,;-2,1.93,;-2.77,.59,;-1.23,.59,;-.67,2.7,;-.67,4.24,;.67,5.01,;2,4.24,;2,2.7,;3.33,1.93,;4.67,2.7,;6,1.93,;6,.39,;7.34,-.38,;8.67,.39,;10,-.38,;8.67,1.93,;7.34,2.7,;.67,1.93,;-4.67,.38,;-6,-.38,;-8.67,-1.93,;-10,-2.7,;-10,-4.24,;-8.67,-5.01,;-7.34,-4.24,;-5.87,-4.71,;-4.97,-3.47,;-5.87,-2.22,;-7.34,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;6,.39,;7.34,2.7,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)|

CCCS(=O)(=O)CC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:20.24,wD:17.17,(8.63,-1.48,;7.14,-1.08,;6.75,.41,;5.26,.81,;3.72,.81,;5.26,-.73,;4.86,2.3,;3.37,2.7,;3.37,4.24,;2.04,5.01,;.7,4.24,;.7,2.7,;2.04,1.93,;-.63,1.93,;-1.4,.59,;.14,.59,;-1.96,2.7,;-3.3,1.92,;-4.63,2.69,;-5.96,1.92,;-5.96,.38,;-4.63,-.38,;-3.3,.38,;-7.3,-.39,;-8.63,.38,;-7.3,-1.93,;-8.63,-2.7,;-8.63,-4.24,;-7.3,-5.01,;-5.96,-4.24,;-4.5,-4.71,;-3.59,-3.47,;-4.5,-2.22,;-5.96,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)c2nnc(C)o2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.62,.38,;-7.29,-.39,;-5.96,.38,;-5.96,1.92,;-4.62,2.69,;-3.29,1.92,;-1.95,2.7,;-.62,1.93,;-1.39,.59,;.15,.59,;.71,2.7,;.71,4.24,;2.05,5.01,;3.38,4.24,;3.38,2.7,;2.05,1.93,;4.71,1.93,;4.71,.39,;6.18,-.09,;7.08,1.16,;8.62,1.16,;6.18,2.4,;-3.29,.38,;-4.62,-.38,;-7.29,-1.93,;-8.62,-2.7,;-8.62,-4.24,;-7.29,-5.01,;-5.96,-4.24,;-4.49,-4.71,;-3.59,-3.47,;-4.49,-2.22,;-5.96,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(O)(COc3cccc(F)c3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-9.65,.38,;-8.31,-.39,;-6.98,.38,;-6.98,1.92,;-5.64,2.69,;-4.31,1.92,;-2.98,2.7,;-1.64,1.93,;-2.41,.59,;-.87,.59,;-.31,2.7,;-.31,4.24,;1.02,5.01,;2.36,4.24,;2.36,2.7,;2.36,1.16,;3.69,1.93,;5.03,2.7,;6.57,2.7,;7.34,4.03,;8.88,4.03,;9.65,2.7,;8.88,1.36,;9.65,.03,;7.34,1.36,;1.02,1.93,;-4.31,.38,;-5.64,-.38,;-8.31,-1.93,;-9.65,-2.7,;-9.65,-4.24,;-8.31,-5.01,;-6.98,-4.24,;-5.51,-4.71,;-4.61,-3.47,;-5.51,-2.22,;-6.98,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CNC(C)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;5.33,1.93,;5.33,.39,;6.67,-.38,;8,.39,;6.67,-1.92,;2.67,1.93,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(Cc3ccccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.67,.38,;-7.34,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-3.33,1.92,;-2,2.69,;-.67,1.93,;-1.44,.59,;.1,.59,;.67,2.7,;.67,4.24,;2,5,;3.33,4.24,;3.33,2.7,;4.67,1.93,;6,2.7,;6,4.24,;7.34,5.01,;8.67,4.24,;8.67,2.7,;7.34,1.93,;2,1.93,;-3.33,.38,;-4.67,-.39,;-7.34,-1.93,;-8.67,-2.7,;-8.67,-4.24,;-7.34,-5.01,;-6,-4.24,;-4.54,-4.71,;-3.63,-3.47,;-4.54,-2.22,;-6,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](O)[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,15.15,13.13,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5,;5.33,4.24,;6.67,5.01,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.77,.1,;-5.44,-.67,;-4.1,.1,;-4.1,1.64,;-2.77,2.41,;-1.44,1.64,;-.1,2.41,;1.23,1.64,;.46,.31,;2,.31,;2.56,2.41,;3.9,1.64,;5.23,2.41,;5.23,3.95,;6,5.29,;6.77,3.95,;3.9,4.72,;2.56,3.95,;-1.44,.1,;-2.77,-.67,;-5.44,-2.21,;-6.77,-2.98,;-6.77,-4.52,;-5.44,-5.29,;-4.1,-4.52,;-2.64,-4.99,;-1.73,-3.75,;-2.64,-2.5,;-4.1,-2.98,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(O)(CC2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.23,.03,;-6.9,-.74,;-5.57,.03,;-5.57,1.57,;-4.23,2.34,;-2.9,1.57,;-1.56,2.34,;-.23,1.57,;-1,.23,;.54,.23,;1.1,2.34,;2.44,1.57,;3.77,2.34,;3.77,3.88,;4.17,5.36,;2.44,4.65,;1.1,3.88,;5.26,3.48,;5.66,1.99,;7.14,1.59,;8.23,2.68,;7.83,4.17,;6.35,4.57,;-2.9,.03,;-4.23,-.74,;-6.9,-2.28,;-8.23,-3.05,;-8.23,-4.59,;-6.9,-5.36,;-5.57,-4.59,;-4.1,-5.07,;-3.2,-3.82,;-4.1,-2.58,;-5.57,-3.05,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,13.13,(-6.66,.81,;-5.32,.04,;-3.99,.81,;-3.99,2.35,;-2.66,3.12,;-1.32,2.35,;.01,3.12,;1.34,2.35,;.57,1.01,;2.11,1.01,;2.68,3.12,;3.15,4.58,;4.69,4.58,;5.17,3.12,;6.66,2.72,;3.92,2.21,;-1.32,.81,;-2.66,.04,;-5.32,-1.5,;-6.66,-2.27,;-6.66,-3.81,;-5.32,-4.58,;-3.99,-3.81,;-2.53,-4.29,;-1.62,-3.04,;-2.53,-1.8,;-3.99,-2.27,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)OC(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,13.15,(-9.1,.53,;-7.76,-.24,;-6.43,.53,;-6.43,2.07,;-5.1,2.84,;-3.76,2.07,;-2.43,2.84,;-1.09,2.07,;-1.86,.74,;-.32,.74,;.24,2.84,;.24,4.38,;1.7,4.86,;2.61,3.61,;1.7,2.37,;4.1,4.01,;5.19,2.92,;4.79,1.43,;6.67,3.32,;7.76,2.23,;7.76,.69,;9.1,3,;9.1,1.46,;-3.76,.53,;-5.1,-.24,;-7.76,-1.78,;-9.1,-2.55,;-9.1,-4.09,;-7.76,-4.86,;-6.43,-4.09,;-4.96,-4.56,;-4.06,-3.32,;-4.96,-2.07,;-6.43,-2.55,)|

CCN[C@@H](C)[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:5.4,3.3,wD:14.14,(7.85,1.3,;7.85,2.84,;6.52,3.61,;5.19,2.84,;5.19,1.3,;3.85,3.61,;2.95,4.86,;1.48,4.38,;1.48,2.84,;2.95,2.37,;.15,2.07,;-.62,.74,;.92,.74,;-1.18,2.84,;-2.52,2.07,;-3.85,2.84,;-5.19,2.07,;-5.19,.53,;-3.85,-.24,;-2.52,.53,;-6.52,-.24,;-7.85,.53,;-6.52,-1.78,;-7.85,-2.55,;-7.85,-4.09,;-6.52,-4.86,;-5.19,-4.09,;-3.72,-4.56,;-2.82,-3.32,;-3.72,-2.07,;-5.19,-2.55,)|

CCOCCO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:6.5,wD:15.15,(8.08,-2.2,;8.08,-.66,;6.6,-.27,;6.6,1.27,;5.11,1.67,;5.11,3.21,;3.62,3.61,;2.72,4.86,;1.25,4.38,;1.25,2.84,;2.72,2.37,;-.08,2.07,;-.85,.74,;.69,.74,;-1.42,2.84,;-2.75,2.07,;-4.08,2.84,;-5.42,2.07,;-5.42,.53,;-4.08,-.24,;-2.75,.53,;-6.75,-.24,;-8.08,.53,;-6.75,-1.78,;-8.08,-2.55,;-8.08,-4.09,;-6.75,-4.86,;-5.42,-4.09,;-3.95,-4.56,;-3.05,-3.32,;-3.95,-2.07,;-5.42,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@H](O)[C@@H](C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,12.12,(-6.94,-1.47,;-5.61,-2.24,;-4.27,-1.47,;-4.27,.07,;-2.94,.84,;-1.61,.07,;-.27,.84,;1.06,.07,;.29,-1.26,;1.83,-1.26,;2.4,.84,;3.86,.37,;4.77,1.61,;6.25,1.21,;3.86,2.86,;2.4,2.38,;4.63,4.19,;6.17,4.19,;6.94,5.52,;6.17,6.86,;4.63,6.86,;3.86,5.52,;-1.61,-1.47,;-2.94,-2.24,;-5.61,-3.78,;-6.94,-4.55,;-6.94,-6.09,;-5.61,-6.86,;-4.27,-6.09,;-2.81,-6.56,;-1.9,-5.32,;-2.81,-4.07,;-4.27,-4.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.01,.49,;-5.67,-.28,;-4.34,.49,;-3.01,-.28,;-1.67,.49,;-1.67,2.03,;-.34,2.8,;.99,2.03,;.22,.69,;1.76,.69,;2.33,2.8,;2.33,4.34,;3.79,4.81,;4.7,3.57,;6.24,3.57,;7.01,4.9,;3.79,2.32,;-3.01,2.8,;-4.34,2.03,;-5.67,-1.82,;-7.01,-2.59,;-7.01,-4.13,;-5.67,-4.9,;-4.34,-4.13,;-2.88,-4.61,;-1.97,-3.36,;-2.88,-2.12,;-4.34,-2.59,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.13,(-7.01,.49,;-5.67,-.28,;-4.34,.49,;-3.01,-.28,;-1.67,.49,;-1.67,2.03,;-.34,2.8,;.99,2.03,;.22,.69,;1.76,.69,;2.33,2.8,;2.33,4.34,;3.79,4.81,;4.7,3.57,;6.24,3.57,;7.01,4.9,;3.79,2.32,;-3.01,2.8,;-4.34,2.03,;-5.67,-1.82,;-7.01,-2.59,;-7.01,-4.13,;-5.67,-4.9,;-4.34,-4.13,;-2.88,-4.61,;-1.97,-3.36,;-2.88,-2.12,;-4.34,-2.59,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](CC#N)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.13,(-7.39,.53,;-6.06,-.24,;-4.73,.53,;-3.39,-.24,;-2.06,.53,;-2.06,2.07,;-.72,2.84,;.61,2.07,;-.16,.74,;1.38,.74,;1.94,2.84,;1.94,4.38,;3.41,4.86,;4.31,3.61,;5.85,3.61,;6.62,2.28,;7.39,.94,;3.41,2.37,;-3.39,2.84,;-4.73,2.07,;-6.06,-1.78,;-7.39,-2.55,;-7.39,-4.09,;-6.06,-4.86,;-4.73,-4.09,;-3.26,-4.56,;-2.36,-3.32,;-3.26,-2.07,;-4.73,-2.55,)|

C[C@H]1CN(C[C@H]1S(C)(=O)=O)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:17.21,wD:14.14,5.6,1.0,(3.83,5.2,;3.43,3.72,;1.97,3.24,;1.97,1.7,;3.43,1.22,;4.34,2.47,;5.88,2.47,;7.37,2.87,;6.65,3.8,;6.65,1.14,;.64,.93,;-.13,-.4,;1.41,-.4,;-.7,1.7,;-2.03,.93,;-3.37,1.7,;-4.7,.93,;-4.7,-.61,;-3.37,-1.38,;-2.03,-.61,;-6.03,-1.38,;-7.37,-.61,;-6.03,-2.92,;-7.37,-3.69,;-7.37,-5.23,;-6.03,-6,;-4.7,-5.23,;-3.23,-5.71,;-2.33,-4.46,;-3.23,-3.21,;-4.7,-3.69,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,13.13,wD:5.5,(-6.62,.53,;-5.29,-.24,;-3.96,.53,;-3.96,2.07,;-2.62,2.84,;-1.29,2.07,;.05,2.84,;1.38,2.07,;.61,.74,;2.15,.74,;2.71,2.84,;2.71,4.38,;4.18,4.86,;5.08,3.61,;6.62,3.61,;4.18,2.37,;-1.29,.53,;-2.62,-.24,;-5.29,-1.78,;-6.62,-2.55,;-6.62,-4.09,;-5.29,-4.86,;-3.96,-4.09,;-2.49,-4.56,;-1.59,-3.32,;-2.49,-2.07,;-3.96,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CC#N)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.39,.53,;-6.06,-.24,;-4.73,.53,;-3.39,-.24,;-2.06,.53,;-2.06,2.07,;-.72,2.84,;.61,2.07,;-.16,.74,;1.38,.74,;1.94,2.84,;1.94,4.38,;3.41,4.86,;4.31,3.61,;5.85,3.61,;6.62,2.28,;7.39,.94,;3.41,2.37,;-3.39,2.84,;-4.73,2.07,;-6.06,-1.78,;-7.39,-2.55,;-7.39,-4.09,;-6.06,-4.86,;-4.73,-4.09,;-3.26,-4.56,;-2.36,-3.32,;-3.26,-2.07,;-4.73,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@H](O)[C@@H](C2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,12.12,(-6.62,-.8,;-5.29,-1.57,;-3.96,-.8,;-3.96,.74,;-2.62,1.51,;-1.29,.74,;.05,1.51,;1.38,.74,;.61,-.6,;2.15,-.6,;2.71,1.51,;4.18,1.03,;5.08,2.28,;6.62,2.28,;4.18,3.52,;2.71,3.05,;4.95,4.86,;5.72,6.19,;-1.29,-.8,;-2.62,-1.57,;-5.29,-3.11,;-6.62,-3.88,;-6.62,-5.42,;-5.29,-6.19,;-3.96,-5.42,;-2.49,-5.9,;-1.59,-4.65,;-2.49,-3.41,;-3.96,-3.88,)|

CC1CN(CCN1C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,wD:12.12,(6.67,1.93,;5.33,2.7,;4,1.93,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;6.67,5.01,;1.33,1.93,;1.33,.39,;.56,3.26,;,2.7,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.39,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)|

CN([C@@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,5.5,14.16,(6.15,.38,;4.82,-.39,;3.48,.38,;3.48,1.92,;2.15,2.69,;.82,1.92,;-.52,2.7,;-1.85,1.93,;-1.85,.39,;-.52,1.16,;-3.19,2.7,;-3.19,4.24,;-4.52,5.01,;-5.85,4.24,;-5.85,2.7,;-4.52,1.93,;-7.19,1.93,;-8.52,1.16,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.7,;3.48,-4.24,;4.82,-5.01,;6.15,-4.24,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.14,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)|

COC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,wD:15.19,(-7.85,5.78,;-7.85,4.24,;-6.52,3.47,;-5.19,4.23,;-3.85,3.47,;-3.85,1.93,;-5.19,1.15,;-6.52,1.93,;-2.52,1.15,;-2.52,-.38,;-1.18,.38,;-1.18,1.93,;.15,1.15,;1.48,1.92,;2.82,1.15,;2.82,-.39,;1.48,-1.15,;.15,-.39,;4.15,-1.16,;5.48,-.39,;4.15,-2.7,;2.82,-3.47,;2.82,-5.01,;4.15,-5.78,;5.48,-5.01,;6.95,-5.48,;7.85,-4.24,;6.95,-2.99,;5.48,-3.47,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,,;4.82,-.77,;3.48,,;3.48,1.54,;2.15,2.31,;.82,1.54,;-.52,2.31,;-1.85,1.54,;-1.85,,;-.52,.77,;-3.19,2.31,;-3.19,3.85,;-4.52,4.62,;-5.85,3.85,;-5.85,2.31,;-4.52,1.54,;-7.19,4.62,;-8.52,5.39,;.82,,;2.15,-.77,;4.82,-2.31,;3.48,-3.08,;3.48,-4.62,;4.82,-5.39,;6.15,-4.62,;7.61,-5.1,;8.52,-3.85,;7.61,-2.6,;6.15,-3.08,)|

COCC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,wD:16.20,(-8.52,6.16,;-7.19,5.39,;-7.19,3.85,;-5.85,3.08,;-4.52,3.85,;-3.19,3.08,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-1.85,.77,;-1.85,-.77,;-.52,,;-.52,1.54,;.82,.77,;2.15,1.54,;3.48,.77,;3.48,-.77,;2.15,-1.54,;.82,-.77,;4.82,-1.54,;6.15,-.77,;4.82,-3.08,;3.48,-3.85,;3.48,-5.39,;4.82,-6.16,;6.15,-5.39,;7.61,-5.87,;8.52,-4.62,;7.61,-3.37,;6.15,-3.85,)|

CCC1(CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12)C(N)=O |r,wU:12.12,wD:15.19,(-8.52,3.47,;-7.19,2.69,;-5.85,3.47,;-4.52,4.23,;-3.19,3.47,;-3.19,1.93,;-4.52,1.15,;-5.85,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-.52,1.93,;.82,1.15,;2.15,1.92,;3.48,1.15,;3.48,-.39,;2.15,-1.15,;.82,-.39,;4.82,-1.16,;6.15,-.39,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,;-5.85,5,;-7.19,5.78,;-4.52,5.78,)|

COCCC1(CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12)C(N)=O |r,wU:14.14,wD:17.21,(-8.52,-1.15,;-8.52,.38,;-7.19,1.15,;-7.19,2.69,;-5.85,3.47,;-4.52,4.23,;-3.19,3.47,;-3.19,1.93,;-4.52,1.15,;-5.85,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-.52,1.93,;.82,1.15,;2.15,1.92,;3.48,1.15,;3.48,-.39,;2.15,-1.15,;.82,-.39,;4.82,-1.16,;6.15,-.39,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,;-5.85,5,;-4.52,5.78,;-7.19,5.78,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(Cc3ncccn3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-1.93,;4.82,-2.7,;3.48,-1.93,;3.48,-.39,;2.15,.38,;.82,-.39,;-.52,.38,;-1.85,-.38,;-1.85,-1.93,;-.52,-1.15,;-3.19,.38,;-3.19,1.93,;-4.52,2.69,;-5.85,1.93,;-7.19,2.7,;-7.19,4.24,;-5.85,5.01,;-5.85,6.55,;-7.19,7.32,;-8.52,6.55,;-8.52,5.01,;-5.85,.38,;-4.52,-.38,;.82,-1.93,;2.15,-2.69,;4.82,-4.24,;3.48,-5.01,;3.48,-6.55,;4.82,-7.32,;6.15,-6.55,;7.61,-7.02,;8.52,-5.78,;7.61,-4.53,;6.15,-5.01,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)C(C)(C)O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-.39,;4.82,-1.16,;3.48,-.39,;3.48,1.15,;2.15,1.92,;.82,1.15,;-.52,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-3.19,1.93,;-3.19,3.47,;-4.52,4.23,;-5.85,3.47,;-5.85,1.93,;-4.52,1.15,;-7.19,4.24,;-7.19,5.78,;-8.52,5.01,;-8.52,3.47,;.82,-.39,;2.15,-1.15,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(Cc3ccc(C)nn3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(8.15,.38,;6.82,-.39,;5.48,.38,;5.48,1.92,;4.15,2.69,;2.82,1.92,;1.48,2.69,;.15,1.93,;.15,.38,;1.48,1.15,;-1.18,2.69,;-1.18,4.23,;-2.52,5,;-3.85,4.23,;-5.19,5.01,;-6.52,4.24,;-7.85,5.01,;-9.19,4.24,;-9.19,2.7,;-10.52,1.93,;-7.85,1.93,;-6.52,2.7,;-3.85,2.69,;-2.52,1.93,;2.82,.38,;4.15,-.38,;6.82,-1.93,;5.48,-2.7,;5.48,-4.24,;6.82,-5.01,;8.15,-4.24,;9.62,-4.71,;10.52,-3.47,;9.62,-2.22,;8.15,-2.7,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CS(=O)(=O)CC3CC3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.54,-2.21,;5.2,-2.98,;3.87,-2.21,;3.87,-.67,;2.53,.1,;1.2,-.67,;-.13,.1,;-1.47,-.67,;-1.47,-2.21,;-.13,-1.44,;-2.8,.1,;-2.8,1.64,;-4.13,2.41,;-5.47,1.64,;-6.8,2.41,;-6.8,3.95,;-5.47,4.72,;-5.47,3.18,;-8.14,4.72,;-8.14,6.26,;-7.37,7.6,;-8.91,7.6,;-5.47,.1,;-4.13,-.67,;1.2,-2.21,;2.53,-2.98,;5.2,-4.52,;3.87,-5.29,;3.87,-6.83,;5.2,-7.6,;6.54,-6.83,;8,-7.3,;8.91,-6.06,;8,-4.81,;6.54,-5.29,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)c2nc(CS(C)(=O)=O)no2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(8.49,-1.33,;7.16,-2.1,;5.82,-1.33,;5.82,.21,;4.49,.98,;3.16,.21,;1.82,.98,;.49,.21,;.49,-1.33,;1.82,-.56,;-.85,.98,;-.85,2.52,;-2.18,3.29,;-3.51,2.52,;-3.51,.98,;-2.18,.21,;-4.85,3.29,;-6.31,2.81,;-7.22,4.06,;-8.76,4.06,;-9.53,5.39,;-8.76,6.72,;-10.86,6.16,;-10.86,4.62,;-6.31,5.3,;-4.85,4.83,;3.16,-1.33,;4.49,-2.1,;7.16,-3.64,;5.82,-4.41,;5.82,-5.95,;7.16,-6.72,;8.49,-5.95,;9.95,-6.43,;10.86,-5.18,;9.95,-3.94,;8.49,-4.41,)|

CC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,wD:14.18,(-7.85,5.01,;-6.52,4.23,;-5.19,5,;-3.85,4.23,;-3.85,2.69,;-5.19,1.93,;-6.52,2.69,;-2.52,1.93,;-2.52,.38,;-1.18,1.15,;-1.18,2.69,;.15,1.92,;1.48,2.69,;2.82,1.92,;2.82,.38,;1.48,-.38,;.15,.38,;4.15,-.39,;5.48,.38,;4.15,-1.93,;2.82,-2.7,;2.82,-4.24,;4.15,-5.01,;5.48,-4.24,;6.95,-4.71,;7.85,-3.47,;6.95,-2.22,;5.48,-2.7,)|

CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:17.17,wD:20.24,(-5.85,6.93,;-5.85,5.39,;-7.19,4.62,;-8.52,5.39,;-8.52,6.93,;-7.19,3.08,;-8.52,2.31,;-5.85,2.31,;-4.52,3.08,;-3.19,2.31,;-3.19,.77,;-4.52,,;-5.85,.77,;-1.85,,;-1.85,-1.54,;-.52,-.77,;-.52,.77,;.82,,;2.15,.77,;3.48,,;3.48,-1.54,;2.15,-2.31,;.82,-1.54,;4.82,-2.31,;6.15,-1.54,;4.82,-3.85,;3.48,-4.62,;3.48,-6.16,;4.82,-6.93,;6.15,-6.16,;7.61,-6.64,;8.52,-5.39,;7.61,-4.14,;6.15,-4.62,)|

CC[C@H](O)C1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.14,2.2,wD:17.21,(-8.52,6.16,;-7.19,5.39,;-7.19,3.85,;-8.52,3.08,;-5.85,3.08,;-4.52,3.85,;-3.19,3.08,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-1.85,.77,;-1.85,-.77,;-.52,,;-.52,1.54,;.82,.77,;2.15,1.54,;3.48,.77,;3.48,-.77,;2.15,-1.54,;.82,-.77,;4.82,-1.54,;6.15,-.77,;4.82,-3.08,;3.48,-3.85,;3.48,-5.39,;4.82,-6.16,;6.15,-5.39,;7.61,-5.87,;8.52,-4.62,;7.61,-3.37,;6.15,-3.85,)|

CNC(=O)C1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.14,wD:17.21,(-8.52,6.16,;-7.19,5.39,;-7.19,3.85,;-8.52,3.08,;-5.85,3.08,;-4.52,3.85,;-3.19,3.08,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-1.85,.77,;-1.85,-.77,;-.52,,;-.52,1.54,;.82,.77,;2.15,1.54,;3.48,.77,;3.48,-.77,;2.15,-1.54,;.82,-.77,;4.82,-1.54,;6.15,-.77,;4.82,-3.08,;3.48,-3.85,;3.48,-5.39,;4.82,-6.16,;6.15,-5.39,;7.61,-5.87,;8.52,-4.62,;7.61,-3.37,;6.15,-3.85,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC(N)=O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-.77,;4.82,-1.54,;3.48,-.77,;3.48,.77,;2.15,1.54,;.82,.77,;-.52,1.54,;-1.85,.77,;-1.85,-.77,;-.52,,;-3.19,1.54,;-3.19,3.08,;-4.52,3.85,;-5.85,3.08,;-7.19,3.85,;-7.19,5.39,;-5.85,6.16,;-8.52,6.16,;-5.85,1.54,;-4.52,.77,;.82,-.77,;2.15,-1.54,;4.82,-3.08,;3.48,-3.85,;3.48,-5.39,;4.82,-6.16,;6.15,-5.39,;7.61,-5.87,;8.52,-4.62,;7.61,-3.37,;6.15,-3.85,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(COCC3CC3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.54,-2.21,;5.2,-2.98,;3.87,-2.21,;3.87,-.67,;2.53,.1,;1.2,-.67,;-.13,.1,;-1.47,-.67,;-1.47,-2.21,;-.13,-1.44,;-2.8,.1,;-2.8,1.64,;-4.13,2.41,;-5.47,1.64,;-6.8,2.41,;-6.8,3.95,;-8.14,4.72,;-8.14,6.26,;-7.37,7.6,;-8.91,7.6,;-5.47,.1,;-4.13,-.67,;1.2,-2.21,;2.53,-2.98,;5.2,-4.52,;3.87,-5.29,;3.87,-6.83,;5.2,-7.6,;6.54,-6.83,;8,-7.3,;8.91,-6.06,;8,-4.81,;6.54,-5.29,)|

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CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,(5.48,.38,;4.15,-.38,;2.82,.38,;2.82,1.93,;1.48,2.69,;.15,1.93,;-1.18,2.69,;-2.52,1.93,;-2.52,.38,;-1.18,1.15,;-3.85,2.69,;-3.85,4.23,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-7.85,1.93,;-5.19,1.93,;.15,.38,;1.48,-.38,;4.15,-1.93,;2.82,-2.69,;2.82,-4.23,;4.15,-5,;5.48,-4.23,;6.95,-4.71,;7.85,-3.47,;6.95,-2.22,;5.48,-2.69,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C(N)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.16,wD:2.1,(6.15,.38,;4.82,-.38,;3.48,.38,;3.48,1.93,;2.15,2.69,;.82,1.93,;-.52,2.69,;-1.85,1.93,;-1.85,.38,;-.52,1.15,;-3.19,2.69,;-3.19,4.23,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-4.52,1.93,;-7.19,1.93,;-8.52,2.7,;-7.19,.39,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.69,;3.48,-4.23,;4.82,-5,;6.15,-4.23,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.69,)|

CO[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,2.1,wD:15.19,(-7.19,6.16,;-5.85,5.39,;-5.85,3.85,;-7.19,3.08,;-7.19,1.54,;-5.85,.77,;-4.52,1.54,;-4.52,3.08,;-3.19,.77,;-3.19,-.77,;-1.85,,;-1.85,1.54,;-.52,.77,;.82,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.52,-.77,;3.48,-1.54,;4.82,-.77,;3.48,-3.08,;2.15,-3.85,;2.15,-5.39,;3.48,-6.16,;4.82,-5.39,;6.28,-5.87,;7.19,-4.62,;6.28,-3.37,;4.82,-3.85,)|

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CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@](C)(CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,14.15,(5.48,.38,;4.15,-.38,;2.82,.38,;2.82,1.93,;1.48,2.69,;.15,1.93,;-1.18,2.69,;-2.52,1.93,;-2.52,.38,;-1.18,1.15,;-3.85,2.69,;-3.85,4.23,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-6.52,1.15,;-7.85,3.47,;-7.85,5,;-5.19,1.93,;.15,.38,;1.48,-.38,;4.15,-1.93,;2.82,-2.69,;2.82,-4.23,;4.15,-5,;5.48,-4.23,;6.95,-4.71,;7.85,-3.47,;6.95,-2.22,;5.48,-2.69,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.16,wD:2.1,(6.15,.38,;4.82,-.38,;3.48,.38,;3.48,1.93,;2.15,2.69,;.82,1.93,;-.52,2.69,;-1.85,1.93,;-1.85,.38,;-.52,1.15,;-3.19,2.69,;-3.19,4.23,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-4.52,1.93,;-7.19,1.93,;-8.52,1.16,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.69,;3.48,-4.23,;4.82,-5,;6.15,-4.23,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.69,)|

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CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,(6.15,.38,;4.82,-.38,;3.48,.38,;3.48,1.93,;2.15,2.69,;.82,1.93,;-.52,2.69,;-1.85,1.93,;-1.85,.38,;-.52,1.15,;-3.19,2.69,;-3.19,4.23,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-7.19,1.93,;-7.19,.39,;-5.85,-.38,;-8.52,-.38,;-7.19,-1.15,;-4.52,1.93,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.69,;3.48,-4.23,;4.82,-5,;6.15,-4.23,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.69,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,(6.15,.38,;4.82,-.38,;3.48,.38,;3.48,1.93,;2.15,2.69,;.82,1.93,;-.52,2.69,;-1.85,1.93,;-1.85,.38,;-.52,1.15,;-3.19,2.69,;-3.19,4.23,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-7.19,1.93,;-7.19,.39,;-5.85,-.38,;-8.52,-.38,;-7.19,-1.15,;-4.52,1.93,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.69,;3.48,-4.23,;4.82,-5,;6.15,-4.23,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.69,)|

CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,2.1,wD:14.18,(-7.52,5.8,;-6.03,5.4,;-5.63,3.91,;-6.54,2.67,;-5.63,1.42,;-4.19,1.9,;-4.17,3.44,;-2.85,1.13,;-2.85,-.41,;-1.52,.36,;-1.52,1.9,;-.18,1.13,;1.15,1.9,;2.48,1.13,;2.48,-.41,;1.15,-1.18,;-.18,-.41,;3.82,-1.18,;5.15,-.41,;3.82,-2.72,;2.48,-3.49,;2.48,-5.03,;3.82,-5.8,;5.15,-5.03,;6.61,-5.51,;7.52,-4.26,;6.61,-3.02,;5.15,-3.49,)|

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CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.13,(4.66,-.13,;3.33,-.9,;1.99,-.13,;1.99,1.41,;.66,2.18,;-.68,1.41,;-2.01,2.18,;-3.34,1.41,;-3.34,-.13,;-2.01,.64,;-4.68,2.18,;-6.12,1.7,;-7.03,2.95,;-6.12,4.19,;-6.89,5.52,;-4.66,3.72,;-.68,-.13,;.66,-.9,;3.33,-2.44,;1.99,-3.21,;1.99,-4.75,;3.33,-5.52,;4.66,-4.75,;6.12,-5.23,;7.03,-3.98,;6.12,-2.74,;4.66,-3.21,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@H](O)[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,12.12,14.14,wD:2.1,(5.43,-.13,;4.1,-.9,;2.76,-.13,;2.76,1.41,;1.43,2.18,;.09,1.41,;-1.24,2.18,;-2.57,1.41,;-2.57,-.13,;-1.24,.64,;-3.91,2.18,;-3.89,3.72,;-5.35,4.19,;-6.12,5.52,;-6.26,2.95,;-7.8,2.95,;-5.35,1.7,;.09,-.13,;1.43,-.9,;4.1,-2.44,;2.76,-3.21,;2.76,-4.75,;4.1,-5.52,;5.43,-4.75,;6.89,-5.23,;7.8,-3.98,;6.89,-2.74,;5.43,-3.21,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@H](O)[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,12.12,(5.43,-.13,;4.1,-.9,;2.76,-.13,;2.76,1.41,;1.43,2.18,;.09,1.41,;-1.24,2.18,;-2.57,1.41,;-2.57,-.13,;-1.24,.64,;-3.91,2.18,;-3.89,3.72,;-5.35,4.19,;-6.12,5.52,;-6.26,2.95,;-7.8,2.95,;-5.35,1.7,;.09,-.13,;1.43,-.9,;4.1,-2.44,;2.76,-3.21,;2.76,-4.75,;4.1,-5.52,;5.43,-4.75,;6.89,-5.23,;7.8,-3.98,;6.89,-2.74,;5.43,-3.21,)|

COC[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,3.2,wD:15.19,(-7.72,6.54,;-7.32,5.06,;-5.83,4.66,;-5.43,3.17,;-6.34,1.93,;-5.43,.68,;-3.99,1.16,;-3.97,2.7,;-2.65,.39,;-2.65,-1.15,;-1.32,-.38,;-1.32,1.16,;.01,.39,;1.35,1.16,;2.68,.39,;2.68,-1.15,;1.35,-1.92,;.01,-1.15,;4.02,-1.92,;5.35,-1.15,;4.02,-3.46,;2.68,-4.23,;2.68,-5.77,;4.02,-6.54,;5.35,-5.77,;6.81,-6.25,;7.72,-5,;6.81,-3.76,;5.35,-4.23,)|

CC[C@@]1(CO)CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,2.1,wD:16.20,2.2,(-5.9,.9,;-6.67,2.23,;-5.9,3.57,;-6.67,4.9,;-8.16,4.5,;-5,4.81,;-3.53,4.34,;-3.55,2.8,;-5,2.32,;-2.21,2.03,;-2.21,.49,;-.88,1.26,;-.88,2.8,;.45,2.03,;1.79,2.8,;3.12,2.03,;3.12,.49,;1.79,-.28,;.45,.49,;4.45,-.28,;5.79,.49,;4.45,-1.82,;3.12,-2.59,;3.12,-4.13,;4.45,-4.9,;5.79,-4.13,;7.25,-4.61,;8.16,-3.36,;7.25,-2.12,;5.79,-2.59,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)C(F)(F)F)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.09,.53,;5.76,-.24,;4.42,.53,;4.42,2.07,;3.09,2.84,;1.76,2.07,;.42,2.84,;-.91,2.07,;-.91,.53,;.42,1.3,;-2.25,2.84,;-2.23,4.38,;-3.69,4.86,;-4.6,3.61,;-3.69,2.37,;-6.09,3.21,;-6.48,1.73,;-5.4,.64,;-7.97,1.33,;-8.37,-.16,;-9.06,2.42,;-9.46,.93,;1.76,.53,;3.09,-.24,;5.76,-1.78,;4.42,-2.55,;4.42,-4.09,;5.76,-4.86,;7.09,-4.09,;8.55,-4.56,;9.46,-3.32,;8.55,-2.07,;7.09,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(C)(=O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.15,.53,;4.81,-.24,;3.48,.53,;3.48,2.07,;2.15,2.84,;.81,2.07,;-.52,2.84,;-1.86,2.07,;-1.86,.53,;-.52,1.3,;-3.19,2.84,;-3.17,4.38,;-4.64,4.86,;-5.54,3.61,;-4.64,2.37,;-7.03,3.21,;-7.43,1.73,;-8.12,4.3,;-8.52,2.81,;.81,.53,;2.15,-.24,;4.81,-1.78,;3.48,-2.55,;3.48,-4.09,;4.81,-4.86,;6.15,-4.09,;7.61,-4.56,;8.52,-3.32,;7.61,-2.07,;6.15,-2.55,)|

CN(C)C(=O)CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:16.16,wD:19.23,7.6,(-9.66,-.56,;-8.17,-.16,;-7.08,-1.25,;-7.77,1.33,;-8.86,2.42,;-6.29,1.73,;-5.89,3.21,;-4.4,3.61,;-3.49,4.86,;-2.03,4.38,;-2.05,2.84,;-3.49,2.37,;-.71,2.07,;-.71,.53,;.62,1.3,;.62,2.84,;1.95,2.07,;3.29,2.84,;4.62,2.07,;4.62,.53,;3.29,-.24,;1.95,.53,;5.96,-.24,;7.29,.53,;5.96,-1.78,;4.62,-2.55,;4.62,-4.09,;5.96,-4.86,;7.29,-4.09,;8.75,-4.56,;9.66,-3.32,;8.75,-2.07,;7.29,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@H](F)[C@H](F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,12.12,(5.43,-.13,;4.1,-.9,;2.76,-.13,;2.76,1.41,;1.43,2.18,;.09,1.41,;-1.24,2.18,;-2.57,1.41,;-2.57,-.13,;-1.24,.64,;-3.91,2.18,;-3.89,3.72,;-5.35,4.19,;-6.12,5.52,;-6.26,2.95,;-7.8,2.95,;-5.35,1.7,;.09,-.13,;1.43,-.9,;4.1,-2.44,;2.76,-3.21,;2.76,-4.75,;4.1,-5.52,;5.43,-4.75,;6.89,-5.23,;7.8,-3.98,;6.89,-2.74,;5.43,-3.21,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,16.17,12.13,wD:2.1,12.12,16.16,(5.5,-.01,;4.16,-.78,;2.83,-.01,;2.83,1.53,;1.49,2.3,;.16,1.53,;-1.17,2.3,;-2.51,1.53,;-2.51,-.01,;-1.17,.76,;-3.84,2.3,;-5.29,1.82,;-6.19,3.07,;-6.82,4.06,;-6.96,1.73,;-6.19,.4,;-5.29,4.31,;-4.2,5.4,;-6.78,4.71,;-7.87,3.62,;-3.82,3.84,;.16,-.01,;1.49,-.78,;4.16,-2.32,;2.83,-3.09,;2.83,-4.63,;4.16,-5.4,;5.5,-4.63,;6.96,-5.11,;7.87,-3.86,;6.96,-2.62,;5.5,-3.09,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,12.12,wD:2.1,14.14,(5.95,-.13,;4.61,-.9,;3.28,-.13,;3.28,1.41,;1.95,2.18,;.61,1.41,;-.72,2.18,;-2.05,1.41,;-2.05,-.13,;-.72,.64,;-3.39,2.18,;-3.37,3.72,;-4.84,4.19,;-5.61,5.52,;-5.74,2.95,;-7.23,2.55,;-8.32,3.64,;-4.84,1.7,;.61,-.13,;1.95,-.9,;4.61,-2.44,;3.28,-3.21,;3.28,-4.75,;4.61,-5.52,;5.95,-4.75,;7.41,-5.23,;8.32,-3.98,;7.41,-2.74,;5.95,-3.21,)|

CNS(=O)(=O)[C@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.14,5.4,wD:17.21,(-9.06,3.9,;-7.57,4.3,;-6.48,3.21,;-6.88,1.73,;-7.97,2.81,;-5,3.61,;-4.09,4.86,;-2.63,4.38,;-2.64,2.84,;-4.09,2.37,;-1.31,2.07,;-1.31,.53,;.02,1.3,;.02,2.84,;1.36,2.07,;2.69,2.84,;4.02,2.07,;4.02,.53,;2.69,-.24,;1.36,.53,;5.36,-.24,;6.69,.53,;5.36,-1.78,;4.02,-2.55,;4.02,-4.09,;5.36,-4.86,;6.69,-4.09,;8.16,-4.56,;9.06,-3.32,;8.16,-2.07,;6.69,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)Cc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.83,.53,;6.5,-.24,;5.17,.53,;5.17,2.07,;3.83,2.84,;2.5,2.07,;1.17,2.84,;-.17,2.07,;-.17,.53,;1.17,1.3,;-1.5,2.84,;-1.49,4.38,;-2.95,4.86,;-3.86,3.61,;-2.95,2.37,;-5.34,3.21,;-6.43,4.3,;-6.83,2.81,;-5.74,1.73,;-7.23,1.33,;-8.32,2.42,;-9.81,2.02,;-10.2,.53,;-9.11,-.56,;-7.63,-.16,;2.5,.53,;3.83,-.24,;6.5,-1.78,;5.17,-2.55,;5.17,-4.09,;6.5,-4.86,;7.83,-4.09,;9.3,-4.56,;10.2,-3.32,;9.3,-2.07,;7.83,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)CCc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(8.52,-.82,;7.19,-1.59,;5.86,-.82,;5.86,.72,;4.52,1.49,;3.19,.72,;1.86,1.49,;.52,.72,;.52,-.82,;1.86,-.05,;-.81,1.49,;-.79,3.03,;-2.26,3.5,;-3.16,2.26,;-2.26,1.01,;-4.65,1.86,;-5.05,.37,;-6.14,1.46,;-5.74,2.95,;-7.23,2.55,;-8.32,3.64,;-7.92,5.12,;-9.01,6.21,;-10.5,5.82,;-10.89,4.33,;-9.81,3.24,;3.19,-.82,;4.52,-1.59,;7.19,-3.13,;5.86,-3.9,;5.86,-5.44,;7.19,-6.21,;8.52,-5.44,;9.99,-5.92,;10.89,-4.67,;9.99,-3.43,;8.52,-3.9,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.84,-2.71,;5.5,-3.48,;4.17,-2.71,;4.17,-1.17,;2.84,-.4,;1.5,-1.17,;.17,-.4,;-1.16,-1.17,;-1.16,-2.71,;.17,-1.94,;-2.5,-.4,;-2.48,1.14,;-3.95,1.62,;-4.85,.37,;-5.62,-.96,;-5.94,1.46,;-5.54,2.95,;-6.63,4.04,;-8.12,3.64,;-9.21,4.73,;-8.81,6.21,;-7.32,6.61,;-6.92,8.1,;-6.23,5.52,;-3.95,-.88,;1.5,-2.71,;2.84,-3.48,;5.5,-5.02,;4.17,-5.79,;4.17,-7.33,;5.5,-8.1,;6.84,-7.33,;8.3,-7.81,;9.21,-6.56,;8.3,-5.31,;6.84,-5.79,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CCc3cc(C)no3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.05,-2.8,;4.72,-3.57,;3.39,-2.8,;3.39,-1.26,;2.05,-.49,;.72,-1.26,;-.62,-.49,;-1.95,-1.26,;-1.95,-2.8,;-.62,-2.03,;-3.28,-.49,;-3.27,1.05,;-4.73,1.53,;-5.64,.28,;-6.41,-1.05,;-6.41,1.61,;-5.64,2.95,;-6.41,4.28,;-5.93,5.75,;-7.18,6.65,;-7.18,8.19,;-8.42,5.75,;-7.95,4.28,;-4.73,-.97,;.72,-2.8,;2.05,-3.57,;4.72,-5.11,;3.39,-5.88,;3.39,-7.42,;4.72,-8.19,;6.05,-7.42,;7.52,-7.9,;8.42,-6.65,;7.52,-5.4,;6.05,-5.88,)|

C[C@H]1CCCN1S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:10.10,1.0,wD:13.17,(-6.89,1.03,;-6.12,2.37,;-7.03,3.61,;-6.12,4.86,;-4.66,4.38,;-4.68,2.84,;-3.34,2.07,;-3.34,.53,;-2.01,1.3,;-2.01,2.84,;-.68,2.07,;.66,2.84,;1.99,2.07,;1.99,.53,;.66,-.24,;-.68,.53,;3.33,-.24,;4.66,.53,;3.33,-1.78,;1.99,-2.55,;1.99,-4.09,;3.33,-4.86,;4.66,-4.09,;6.12,-4.56,;7.03,-3.32,;6.12,-2.07,;4.66,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ncccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)Oc2ccccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.15,(6.64,-2.24,;5.3,-3.01,;3.97,-2.24,;3.97,-.7,;2.64,.07,;1.3,-.7,;-.03,.07,;-1.36,-.7,;-1.36,-2.24,;-.03,-1.47,;-2.7,.07,;-4.15,-.41,;-5.05,.84,;-4.15,2.08,;-2.68,1.61,;-4.54,3.57,;-6.03,3.97,;-7.12,2.88,;-8.61,3.28,;-9.01,4.77,;-7.92,5.85,;-6.43,5.46,;-5.34,6.54,;-4.25,7.63,;1.3,-2.24,;2.64,-3.01,;5.3,-4.55,;3.97,-5.32,;3.97,-6.86,;5.3,-7.63,;6.64,-6.86,;8.1,-7.34,;9.01,-6.09,;8.1,-4.85,;6.64,-5.32,)|

COc1ccccc1CS(=O)(=O)[C@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:21.22,12.12,wD:24.29,(-6.94,-2.74,;-6.54,-1.25,;-7.63,-.16,;-9.11,-.56,;-10.2,.53,;-9.81,2.02,;-8.32,2.42,;-7.23,1.33,;-5.74,1.73,;-5.34,3.21,;-6.43,4.3,;-6.83,2.81,;-3.86,3.61,;-2.95,4.86,;-1.49,4.38,;-1.5,2.84,;-2.95,2.37,;-.17,2.07,;-.17,.53,;1.17,1.3,;1.17,2.84,;2.5,2.07,;3.83,2.84,;5.17,2.07,;5.17,.53,;3.83,-.24,;2.5,.53,;6.5,-.24,;7.83,.53,;6.5,-1.78,;5.17,-2.55,;5.17,-4.09,;6.5,-4.86,;7.83,-4.09,;9.3,-4.56,;10.2,-3.32,;9.3,-2.07,;7.83,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(Cn3cccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(5.04,-1.36,;3.71,-2.13,;2.38,-1.36,;2.38,.18,;1.04,.95,;-.29,.18,;-1.62,.95,;-2.96,.18,;-2.96,-1.36,;-1.62,-.59,;-4.29,.95,;-4.27,2.49,;-5.74,2.96,;-6.64,1.72,;-7.41,.38,;-7.41,3.05,;-6.64,4.38,;-7.12,5.85,;-5.87,6.75,;-4.63,5.85,;-5.1,4.38,;-5.74,.47,;-.29,-1.36,;1.04,-2.13,;3.71,-3.67,;2.38,-4.44,;2.38,-5.98,;3.71,-6.75,;5.04,-5.98,;6.51,-6.46,;7.41,-5.21,;6.51,-3.97,;5.04,-4.44,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](O)(C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.49,-.68,;5.16,-1.45,;3.82,-.68,;3.82,.86,;2.49,1.63,;1.16,.86,;-.18,1.63,;-1.51,.86,;-1.51,-.68,;-.18,.09,;-2.84,1.63,;-2.83,3.17,;-4.29,3.65,;-5.2,2.4,;-5.97,1.07,;-4.29,1.16,;-6.29,3.49,;-5.89,4.98,;-6.98,6.07,;-8.46,5.67,;-8.86,4.18,;-7.77,3.09,;1.16,-.68,;2.49,-1.45,;5.16,-2.99,;3.82,-3.76,;3.82,-5.3,;5.16,-6.07,;6.49,-5.3,;7.96,-5.77,;8.86,-4.53,;7.96,-3.28,;6.49,-3.76,)|

CN([C@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12)C(=O)OC(C)(C)C |r,wU:11.11,wD:14.18,2.1,(-3.26,4.8,;-4.35,3.72,;-3.95,2.23,;-4.85,.98,;-3.95,-.26,;-2.5,.21,;-2.48,1.75,;-1.17,-.56,;-1.17,-2.1,;.17,-1.33,;.17,.21,;1.5,-.56,;2.84,.21,;4.17,-.56,;4.17,-2.1,;2.84,-2.87,;1.5,-2.1,;5.5,-2.87,;6.84,-2.1,;5.5,-4.41,;4.17,-5.18,;4.17,-6.72,;5.5,-7.49,;6.84,-6.72,;8.3,-7.19,;9.21,-5.95,;8.3,-4.7,;6.84,-5.18,;-5.83,4.11,;-6.92,3.03,;-6.23,5.6,;-7.72,6,;-8.12,7.49,;-8.81,4.91,;-9.21,6.4,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccc2F)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;-5.6,.64,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)|

CCc1ccc(COC[C@H]2CCN(C2)S(=O)(=O)C[C@H]2CC[C@@H](CC2)N(C)c2ncnc3[nH]ccc23)nc1 |r,wU:18.18,9.8,wD:21.25,(-8.08,-5.28,;-9.17,-4.2,;-8.77,-2.71,;-9.86,-1.62,;-9.46,-.13,;-7.97,.27,;-7.57,1.75,;-6.09,2.15,;-5.69,3.64,;-4.2,4.04,;-3.3,5.28,;-1.83,4.81,;-1.85,3.27,;-3.3,2.79,;-.51,2.5,;-.51,.96,;.82,1.73,;.82,3.27,;2.15,2.5,;3.49,3.27,;4.82,2.5,;4.82,.96,;3.49,.19,;2.15,.96,;6.15,.19,;7.49,.96,;6.15,-1.35,;4.82,-2.12,;4.82,-3.66,;6.15,-4.43,;7.49,-3.66,;8.95,-4.14,;9.86,-2.89,;8.95,-1.65,;7.49,-2.12,;-6.88,-.82,;-7.28,-2.31,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](CO)(CCO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,13.13,(5.95,.53,;4.61,-.24,;3.28,.53,;3.28,2.07,;1.95,2.84,;.61,2.07,;-.72,2.84,;-2.05,2.07,;-2.05,.53,;-.72,1.3,;-3.39,2.84,;-3.37,4.38,;-4.84,4.86,;-5.74,3.61,;-6.83,4.7,;-8.32,4.3,;-6.51,2.28,;-5.74,.94,;-6.51,-.39,;-4.84,2.37,;.61,.53,;1.95,-.24,;4.61,-1.78,;3.28,-2.55,;3.28,-4.09,;4.61,-4.86,;5.95,-4.09,;7.41,-4.56,;8.32,-3.32,;7.41,-2.07,;5.95,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](COCc3cccnc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(7.49,.53,;6.15,-.24,;4.82,.53,;4.82,2.07,;3.49,2.84,;2.15,2.07,;.82,2.84,;-.51,2.07,;-.51,.53,;.82,1.3,;-1.85,2.84,;-1.83,4.38,;-3.3,4.86,;-4.2,3.61,;-5.69,3.21,;-6.09,1.73,;-7.57,1.33,;-7.97,-.16,;-9.46,-.56,;-9.86,-2.05,;-8.77,-3.14,;-7.28,-2.74,;-6.88,-1.25,;-3.3,2.37,;2.15,.53,;3.49,-.24,;6.15,-1.78,;4.82,-2.55,;4.82,-4.09,;6.15,-4.86,;7.49,-4.09,;8.95,-4.56,;9.86,-3.32,;8.95,-2.07,;7.49,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CSc3ccccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.84,-1.97,;5.5,-2.74,;4.17,-1.97,;4.17,-.43,;2.84,.34,;1.5,-.43,;.17,.34,;-1.16,-.43,;-1.16,-1.97,;.17,-1.2,;-2.5,.34,;-2.48,1.88,;-3.95,2.36,;-4.85,1.11,;-5.62,-.22,;-5.94,2.2,;-5.54,3.69,;-6.63,4.78,;-6.23,6.27,;-7.32,7.36,;-8.81,6.96,;-9.21,5.47,;-8.12,4.38,;-3.95,-.13,;1.5,-1.97,;2.84,-2.74,;5.5,-4.28,;4.17,-5.05,;4.17,-6.59,;5.5,-7.36,;6.84,-6.59,;8.3,-7.06,;9.21,-5.82,;8.3,-4.57,;6.84,-5.05,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)OCC(=O)N2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.28,.53,;5.94,-.24,;4.61,.53,;4.61,2.07,;3.28,2.84,;1.94,2.07,;.61,2.84,;-.72,2.07,;-.72,.53,;.61,1.3,;-2.06,2.84,;-2.04,4.38,;-3.51,4.86,;-4.41,3.61,;-3.51,2.37,;-5.9,3.21,;-6.3,1.73,;-7.78,1.33,;-8.87,2.42,;-8.18,-.16,;-9.65,-.64,;-9.65,-2.18,;-8.18,-2.65,;-7.28,-1.41,;1.94,.53,;3.28,-.24,;5.94,-1.78,;4.61,-2.55,;4.61,-4.09,;5.94,-4.86,;7.28,-4.09,;8.74,-4.56,;9.65,-3.32,;8.74,-2.07,;7.28,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(4.95,-.01,;3.62,-.78,;2.28,-.01,;2.28,1.53,;.95,2.3,;-.38,1.53,;-1.72,2.3,;-3.05,1.53,;-3.05,-.01,;-1.72,.76,;-4.38,2.3,;-5.83,1.82,;-6.74,3.07,;-5.83,4.31,;-7.32,4.71,;-4.74,5.4,;-4.37,3.84,;-.38,-.01,;.95,-.78,;3.62,-2.32,;2.28,-3.09,;2.28,-4.63,;3.62,-5.4,;4.95,-4.63,;6.42,-5.11,;7.32,-3.86,;6.42,-2.62,;4.95,-3.09,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(5.35,-1.7,;4.02,-2.47,;2.68,-1.7,;2.68,-.16,;1.35,.61,;.01,-.16,;-1.32,.61,;-2.65,-.16,;-2.65,-1.7,;-1.32,-.93,;-3.99,.61,;-5.43,.13,;-6.34,1.38,;-5.43,2.63,;-3.97,2.15,;-5.83,4.11,;-4.74,5.2,;-5.14,6.69,;-6.63,7.09,;-7.72,6,;-7.32,4.51,;.01,-1.7,;1.35,-2.47,;4.02,-4.01,;2.68,-4.78,;2.68,-6.32,;4.02,-7.09,;5.35,-6.32,;6.81,-6.8,;7.72,-5.55,;6.81,-4.3,;5.35,-4.78,)|

CCN(CC)C(=O)CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.18,wD:21.25,9.8,(-9.86,-2.05,;-9.46,-.56,;-7.97,-.16,;-6.88,-1.25,;-7.28,-2.74,;-7.57,1.33,;-8.66,2.42,;-6.09,1.73,;-5.69,3.21,;-4.2,3.61,;-3.3,4.86,;-1.83,4.38,;-1.85,2.84,;-3.3,2.37,;-.51,2.07,;-.51,.53,;.82,1.3,;.82,2.84,;2.15,2.07,;3.49,2.84,;4.82,2.07,;4.82,.53,;3.49,-.24,;2.15,.53,;6.15,-.24,;7.49,.53,;6.15,-1.78,;4.82,-2.55,;4.82,-4.09,;6.15,-4.86,;7.49,-4.09,;8.95,-4.56,;9.86,-3.32,;8.95,-2.07,;7.49,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](Cc3cnccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.55,.53,;5.21,-.24,;3.88,.53,;3.88,2.07,;2.54,2.84,;1.21,2.07,;-.12,2.84,;-1.46,2.07,;-1.46,.53,;-.12,1.3,;-2.79,2.84,;-2.77,4.38,;-4.24,4.86,;-5.14,3.61,;-6.63,3.21,;-7.03,1.73,;-8.52,1.33,;-8.92,-.16,;-7.83,-1.25,;-6.34,-.85,;-5.94,.64,;-4.24,2.37,;1.21,.53,;2.54,-.24,;5.21,-1.78,;3.88,-2.55,;3.88,-4.09,;5.21,-4.86,;6.55,-4.09,;8.01,-4.56,;8.92,-3.32,;8.01,-2.07,;6.55,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(4.95,-1.3,;3.62,-2.07,;2.28,-1.3,;2.28,.24,;.95,1.01,;-.38,.24,;-1.72,1.01,;-3.05,.24,;-3.05,-1.3,;-1.72,-.53,;-4.38,1.01,;-5.83,.53,;-6.74,1.78,;-5.83,3.03,;-7.32,3.42,;-4.37,2.55,;-4.74,4.11,;-3.26,3.72,;-2.17,4.8,;-2.57,6.29,;-4.05,6.69,;-5.14,5.6,;-.38,-1.3,;.95,-2.07,;3.62,-3.61,;2.28,-4.38,;2.28,-5.92,;3.62,-6.69,;4.95,-5.92,;6.42,-6.4,;7.32,-5.15,;6.42,-3.9,;4.95,-4.38,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](Cc3ccccc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.55,.53,;5.21,-.24,;3.88,.53,;3.88,2.07,;2.54,2.84,;1.21,2.07,;-.12,2.84,;-1.46,2.07,;-1.46,.53,;-.12,1.3,;-2.79,2.84,;-2.77,4.38,;-4.24,4.86,;-5.14,3.61,;-6.63,3.21,;-7.03,1.73,;-8.52,1.33,;-8.92,-.16,;-7.83,-1.25,;-6.34,-.85,;-5.94,.64,;-4.24,2.37,;1.21,.53,;2.54,-.24,;5.21,-1.78,;3.88,-2.55,;3.88,-4.09,;5.21,-4.86,;6.55,-4.09,;8.01,-4.56,;8.92,-3.32,;8.01,-2.07,;6.55,-2.55,)|

CCN1CCN(C[C@H]2CCN(C2)S(=O)(=O)C[C@H]2CC[C@@H](CC2)N(C)c2ncnc3[nH]ccc23)C(=O)C1=O |r,wU:16.16,7.6,wD:19.23,(-6.39,-3.83,;-7.48,-2.74,;-7.08,-1.25,;-5.6,-.85,;-5.2,.64,;-6.29,1.73,;-5.89,3.21,;-4.4,3.61,;-3.49,4.86,;-2.03,4.38,;-2.05,2.84,;-3.49,2.37,;-.71,2.07,;-.71,.53,;.62,1.3,;.62,2.84,;1.95,2.07,;3.29,2.84,;4.62,2.07,;4.62,.53,;3.29,-.24,;1.95,.53,;5.96,-.24,;7.29,.53,;5.96,-1.78,;4.62,-2.55,;4.62,-4.09,;5.96,-4.86,;7.29,-4.09,;8.75,-4.56,;9.66,-3.32,;8.75,-2.07,;7.29,-2.55,;-7.77,1.33,;-8.86,2.42,;-8.17,-.16,;-9.66,-.56,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H]2Cc2cccc(C)n2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.15,wD:2.1,(6.64,.53,;5.3,-.24,;3.97,.53,;3.97,2.07,;2.64,2.84,;1.3,2.07,;-.03,2.84,;-1.36,2.07,;-1.36,.53,;-.03,1.3,;-2.7,2.84,;-2.68,4.38,;-4.15,4.86,;-5.05,3.61,;-4.15,2.37,;-4.54,.88,;-6.03,.48,;-7.12,1.57,;-8.61,1.17,;-9.01,-.32,;-7.92,-1.41,;-8.32,-2.89,;-6.43,-1.01,;1.3,.53,;2.64,-.24,;5.3,-1.78,;3.97,-2.55,;3.97,-4.09,;5.3,-4.86,;6.64,-4.09,;8.1,-4.56,;9.01,-3.32,;8.1,-2.07,;6.64,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,14.15,(6.4,.53,;5.06,-.24,;3.73,.53,;3.73,2.07,;2.39,2.84,;1.06,2.07,;-.27,2.84,;-1.61,2.07,;-1.61,.53,;-.27,1.3,;-2.94,2.84,;-2.92,4.38,;-4.39,4.86,;-5.29,3.61,;-4.39,2.37,;-4.79,.88,;-6.27,.48,;-6.75,-.98,;-8.29,-.98,;-8.77,.48,;-7.52,1.39,;1.06,.53,;2.39,-.24,;5.06,-1.78,;3.73,-2.55,;3.73,-4.09,;5.06,-4.86,;6.4,-4.09,;7.86,-4.56,;8.77,-3.32,;7.86,-2.07,;6.4,-2.55,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(4.43,.8,;3.09,.03,;1.76,.8,;1.76,2.34,;.43,3.11,;-.91,2.34,;-2.24,3.11,;-3.58,2.34,;-3.58,.8,;-2.24,1.57,;-4.91,3.11,;-5.31,4.59,;-6.8,4.2,;-6.4,2.71,;-.91,.8,;.43,.03,;3.09,-1.51,;1.76,-2.28,;1.76,-3.82,;3.09,-4.59,;4.43,-3.82,;5.89,-4.3,;6.8,-3.05,;5.89,-1.81,;4.43,-2.28,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2ncccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.38,-.68,;5.05,-1.45,;3.71,-.68,;3.71,.86,;2.38,1.63,;1.05,.86,;-.29,1.63,;-1.62,.86,;-1.62,-.68,;-.29,.09,;-2.95,1.63,;-3.35,3.12,;-4.84,2.72,;-4.44,1.23,;-6.17,3.49,;-5.78,4.98,;-6.86,6.07,;-8.35,5.67,;-8.75,4.18,;-7.66,3.09,;1.05,-.68,;2.38,-1.45,;5.05,-2.99,;3.71,-3.76,;3.71,-5.3,;5.05,-6.07,;6.38,-5.3,;7.85,-5.77,;8.75,-4.53,;7.85,-3.28,;6.38,-3.76,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2cccnc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.38,-.68,;5.05,-1.45,;3.71,-.68,;3.71,.86,;2.38,1.63,;1.05,.86,;-.29,1.63,;-1.62,.86,;-1.62,-.68,;-.29,.09,;-2.95,1.63,;-3.35,3.12,;-4.84,2.72,;-4.44,1.23,;-6.17,3.49,;-5.78,4.98,;-6.86,6.07,;-8.35,5.67,;-8.75,4.18,;-7.66,3.09,;1.05,-.68,;2.38,-1.45,;5.05,-2.99,;3.71,-3.76,;3.71,-5.3,;5.05,-6.07,;6.38,-5.3,;7.85,-5.77,;8.75,-4.53,;7.85,-3.28,;6.38,-3.76,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(5.09,.61,;3.76,-.16,;2.43,.61,;2.43,2.15,;1.09,2.92,;-.24,2.15,;-1.58,2.92,;-2.91,2.15,;-2.91,.61,;-1.58,1.38,;-4.24,2.92,;-4.64,4.41,;-6.13,4.01,;-7.46,4.78,;-5.73,2.52,;-.24,.61,;1.09,-.16,;3.76,-1.7,;2.43,-2.47,;2.43,-4.01,;3.76,-4.78,;5.09,-4.01,;6.56,-4.49,;7.46,-3.24,;6.56,-1.99,;5.09,-2.47,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2nnn[nH]2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.28,-.4,;4.94,-1.17,;3.61,-.4,;3.61,1.14,;2.28,1.91,;.94,1.14,;-.39,1.91,;-1.72,1.14,;-1.72,-.4,;-.39,.37,;-3.06,1.91,;-3.46,3.4,;-4.94,3,;-4.55,1.51,;-6.28,3.77,;-7.74,3.3,;-8.65,4.54,;-7.74,5.79,;-6.28,5.31,;.94,-.4,;2.28,-1.17,;4.94,-2.71,;3.61,-3.48,;3.61,-5.02,;4.94,-5.79,;6.28,-5.02,;7.74,-5.49,;8.65,-4.25,;7.74,-3,;6.28,-3.48,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)S(=O)(=O)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.09,-.16,;5.76,-.93,;4.43,-.16,;4.43,1.38,;3.09,2.15,;1.76,1.38,;.43,2.15,;-.91,1.38,;-.91,-.16,;.43,.61,;-2.24,2.15,;-2.64,3.64,;-4.13,3.24,;-3.73,1.75,;-5.46,4.01,;-5.46,5.55,;-6.8,4.78,;-6.8,3.24,;-8.13,4.01,;-9.46,3.24,;-9.46,1.7,;-8.13,.93,;-6.8,1.7,;1.76,-.16,;3.09,-.93,;5.76,-2.47,;4.43,-3.24,;4.43,-4.78,;5.76,-5.55,;7.09,-4.78,;8.56,-5.26,;9.46,-4.01,;8.56,-2.76,;7.09,-3.24,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(5.09,.61,;3.76,-.16,;2.43,.61,;2.43,2.15,;1.09,2.92,;-.24,2.15,;-1.58,2.92,;-2.91,2.15,;-2.91,.61,;-1.58,1.38,;-4.24,2.92,;-4.64,4.41,;-6.13,4.01,;-7.46,4.78,;-5.73,2.52,;-.24,.61,;1.09,-.16,;3.76,-1.7,;2.43,-2.47,;2.43,-4.01,;3.76,-4.78,;5.09,-4.01,;6.56,-4.49,;7.46,-3.24,;6.56,-1.99,;5.09,-2.47,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)S(=O)(=O)CC2CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.2,-.16,;5.86,-.93,;4.53,-.16,;4.53,1.38,;3.2,2.15,;1.86,1.38,;.53,2.15,;-.81,1.38,;-.81,-.16,;.53,.61,;-2.14,2.15,;-2.54,3.64,;-4.03,3.24,;-3.63,1.75,;-5.36,4.01,;-5.36,5.55,;-6.69,4.78,;-6.69,3.24,;-8.03,4.01,;-8.8,5.34,;-9.57,4.01,;1.86,-.16,;3.2,-.93,;5.86,-2.47,;4.53,-3.24,;4.53,-4.78,;5.86,-5.55,;7.2,-4.78,;8.66,-5.26,;9.57,-4.01,;8.66,-2.76,;7.2,-3.24,)|

COC(=O)NC1CN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,wD:16.20,(-8.13,6.7,;-8.13,5.16,;-6.8,4.39,;-5.46,5.16,;-6.8,2.85,;-5.46,2.08,;-3.97,2.48,;-3.58,1,;-5.06,.6,;-2.24,.23,;-2.24,-1.31,;-.91,-.54,;-.91,1,;.43,.23,;1.76,1,;3.09,.23,;3.09,-1.31,;1.76,-2.08,;.43,-1.31,;4.43,-2.08,;5.76,-1.31,;4.43,-3.62,;3.09,-4.39,;3.09,-5.93,;4.43,-6.7,;5.76,-5.93,;7.22,-6.41,;8.13,-5.16,;7.22,-3.92,;5.76,-4.39,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ccc(C)cn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.48,-.77,;6.15,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;.82,1.54,;-.52,.77,;-.52,-.77,;.82,,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-5.85,3.85,;-7.19,3.08,;-8.52,3.85,;-8.52,5.39,;-9.85,6.16,;-7.19,6.16,;-5.85,5.39,;2.15,-.77,;3.48,-1.54,;6.15,-3.08,;4.82,-3.85,;4.82,-5.39,;6.15,-6.16,;7.48,-5.39,;8.95,-5.87,;9.85,-4.62,;8.95,-3.37,;7.48,-3.85,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ccc(C)c(C)n2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.48,-.77,;6.15,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;.82,1.54,;-.52,.77,;-.52,-.77,;.82,,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-5.85,3.85,;-5.85,5.39,;-7.19,6.16,;-8.52,5.39,;-9.85,6.16,;-8.52,3.85,;-9.85,3.08,;-7.19,3.08,;2.15,-.77,;3.48,-1.54,;6.15,-3.08,;4.82,-3.85,;4.82,-5.39,;6.15,-6.16,;7.48,-5.39,;8.95,-5.87,;9.85,-4.62,;8.95,-3.37,;7.48,-3.85,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.82,-.77,;5.48,-1.54,;4.15,-.77,;4.15,.77,;2.82,1.54,;1.48,.77,;.15,1.54,;-1.18,.77,;-1.18,-.77,;.15,,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-6.52,3.85,;-7.85,3.08,;-9.19,3.85,;-9.19,5.39,;-7.85,6.16,;-6.52,5.39,;1.48,-.77,;2.82,-1.54,;5.48,-3.08,;4.15,-3.85,;4.15,-5.39,;5.48,-6.16,;6.82,-5.39,;8.28,-5.87,;9.19,-4.62,;8.28,-3.37,;6.82,-3.85,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C(=O)NC2CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.2,-.77,;5.87,-1.54,;4.53,-.77,;4.53,.77,;3.2,1.54,;1.87,.77,;.53,1.54,;-.8,.77,;-.8,-.77,;.53,,;-2.13,1.54,;-2.13,3.08,;-3.47,3.85,;-4.8,3.08,;-4.8,1.54,;-3.47,.77,;-6.13,3.85,;-6.13,5.39,;-7.47,6.16,;-8.8,5.39,;-8.8,3.85,;-7.47,3.08,;-7.47,1.54,;-6.13,.77,;-8.8,.77,;-8.8,-.77,;-9.57,-2.1,;-8.03,-2.1,;1.87,-.77,;3.2,-1.54,;5.87,-3.08,;4.53,-3.85,;4.53,-5.39,;5.87,-6.16,;7.2,-5.39,;8.67,-5.87,;9.57,-4.62,;8.67,-3.37,;7.2,-3.85,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.82,-.77,;5.48,-1.54,;4.15,-.77,;4.15,.77,;2.82,1.54,;1.48,.77,;.15,1.54,;-1.18,.77,;-1.18,-.77,;.15,,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-6.52,3.85,;-6.52,5.39,;-7.85,6.16,;-9.19,5.39,;-9.19,3.85,;-7.85,3.08,;-7.85,1.54,;-7.85,,;1.48,-.77,;2.82,-1.54,;5.48,-3.08,;4.15,-3.85,;4.15,-5.39,;5.48,-6.16,;6.82,-5.39,;8.28,-5.87,;9.19,-4.62,;8.28,-3.37,;6.82,-3.85,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(Cc3ccccn3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-1.93,;4.82,-2.69,;3.48,-1.93,;3.48,-.38,;2.15,.38,;.82,-.38,;-.52,.38,;-1.85,-.38,;-1.85,-1.93,;-.52,-1.15,;-3.19,.38,;-3.19,1.93,;-4.52,2.7,;-5.85,1.93,;-7.19,2.69,;-7.19,4.23,;-8.52,5,;-8.52,6.54,;-7.19,7.31,;-5.85,6.54,;-5.85,5,;-5.85,.38,;-4.52,-.38,;.82,-1.93,;2.15,-2.69,;4.82,-4.23,;3.48,-5,;3.48,-6.54,;4.82,-7.31,;6.15,-6.54,;7.61,-7.02,;8.52,-5.78,;7.61,-4.53,;6.15,-5,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCSC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(4.66,.53,;3.33,-.24,;1.99,.53,;1.99,2.07,;.66,2.84,;-.68,2.07,;-2.01,2.84,;-3.34,2.07,;-3.34,.53,;-2.01,1.3,;-4.68,2.84,;-6.12,2.37,;-7.03,3.61,;-6.12,4.86,;-4.66,4.38,;-.68,.53,;.66,-.24,;3.33,-1.78,;1.99,-2.55,;1.99,-4.09,;3.33,-4.86,;4.66,-4.09,;6.12,-4.56,;7.03,-3.32,;6.12,-2.07,;4.66,-2.55,)|

CC[C@H]1CCCCC1NS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,2.2,wD:16.20,(-3.85,-.77,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-7.85,3.08,;-6.52,3.85,;-5.19,3.08,;-3.85,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,2.31,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;2.82,1.54,;1.48,.77,;.15,1.54,;4.15,.77,;5.48,1.54,;4.15,-.77,;2.82,-1.54,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;6.95,-3.56,;7.85,-2.31,;6.95,-1.06,;5.48,-1.54,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCS(=O)(=O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(5.48,,;4.15,-.77,;2.82,,;2.82,1.54,;1.48,2.31,;.15,1.54,;-1.18,2.31,;-2.52,1.54,;-2.52,,;-1.18,.77,;-3.85,2.31,;-3.85,3.85,;-5.19,4.62,;-6.52,3.85,;-6.52,5.39,;-7.85,3.08,;-6.52,2.31,;-5.19,1.54,;.15,,;1.48,-.77,;4.15,-2.31,;2.82,-3.08,;2.82,-4.62,;4.15,-5.39,;5.48,-4.62,;6.95,-5.1,;7.85,-3.85,;6.95,-2.6,;5.48,-3.08,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC3(CNC(=O)C3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.91,.38,;-6.58,-.38,;-5.25,.38,;-5.25,1.93,;-3.91,2.69,;-2.58,1.93,;-1.25,2.69,;.09,1.93,;-.68,.59,;.86,.59,;1.42,2.69,;1.42,4.23,;2.76,5,;4.09,4.23,;4.09,2.69,;4.56,1.23,;6.1,1.23,;6.58,2.69,;7.91,3.47,;5.33,3.6,;2.76,1.93,;-2.58,.38,;-3.91,-.38,;-6.58,-1.93,;-7.91,-2.69,;-7.91,-4.23,;-6.58,-5,;-5.25,-4.23,;-3.78,-4.71,;-2.88,-3.47,;-3.78,-2.22,;-5.25,-2.69,)|

C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|

C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC(CO)CC2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|

C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC[C@H](O)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|

C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|

C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OC(=O)C(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-2,2.69,;-.67,1.93,;-2,1.15,;-.67,.38,;.67,2.69,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;2,1.93,;4.67,1.93,;6,2.69,;6,4.23,;7.34,1.93,;8.67,2.69,;7.34,.38,;8.67,1.15,;-3.33,.38,;-4.67,-.38,;-7.34,-1.93,;-8.67,-2.69,;-8.67,-4.23,;-7.34,-5,;-6,-4.23,;-4.54,-4.71,;-3.63,-3.47,;-4.54,-2.22,;-6,-2.69,)|

C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.62,.49,;-5.29,-.28,;-3.96,.49,;-3.96,2.03,;-2.62,2.8,;-1.29,2.03,;.05,2.8,;1.38,2.03,;.61,.69,;2.15,.69,;2.71,2.8,;2.71,4.34,;4.18,4.81,;5.08,3.57,;5.85,4.9,;6.62,3.57,;4.18,2.32,;-1.29,.49,;-2.62,-.28,;-5.29,-1.82,;-6.62,-2.59,;-6.62,-4.13,;-5.29,-4.9,;-3.96,-4.13,;-2.49,-4.61,;-1.59,-3.36,;-2.49,-2.12,;-3.96,-2.59,)|

CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)|

COCCOC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(8,-2.69,;6.67,-1.92,;6.67,-.38,;5.33,.39,;5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,1.93,;-.77,.59,;.77,.59,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-6.67,-.38,;-8,.38,;-6.67,-1.93,;-8,-2.69,;-8,-4.23,;-6.67,-5,;-5.33,-4.23,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.69,)|

CCOP(=O)(OCC)O[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:22.26,9.8,wD:19.19,(9.44,2.7,;8.11,1.93,;6.77,2.7,;5.23,2.7,;5.23,4.24,;6,1.36,;7.34,.59,;8.67,1.36,;3.9,1.93,;2.56,2.69,;2.56,4.23,;1.23,5,;-.1,4.23,;-.1,2.69,;1.23,1.93,;-1.44,1.93,;-2.21,.59,;-.67,.59,;-2.77,2.69,;-4.1,1.93,;-5.44,2.69,;-6.77,1.93,;-6.77,.38,;-5.44,-.38,;-4.1,.38,;-8.11,-.38,;-9.44,.38,;-8.11,-1.93,;-9.44,-2.69,;-9.44,-4.23,;-8.11,-5,;-6.77,-4.23,;-5.31,-4.71,;-4.4,-3.47,;-5.31,-2.22,;-6.77,-2.69,)|

CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OP(O)(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.11,.38,;-6.77,-.38,;-5.44,.38,;-5.44,1.93,;-4.1,2.69,;-2.77,1.93,;-1.44,2.69,;-.1,1.93,;-.87,.59,;.67,.59,;1.23,2.69,;1.23,4.23,;2.56,5,;3.9,4.23,;3.9,2.69,;2.56,1.93,;5.23,1.93,;6.57,2.7,;8.11,2.7,;7.34,1.36,;6.57,4.24,;-2.77,.38,;-4.1,-.38,;-6.77,-1.93,;-8.11,-2.69,;-8.11,-4.23,;-6.77,-5,;-5.44,-4.23,;-3.97,-4.71,;-3.07,-3.47,;-3.97,-2.22,;-5.44,-2.69,)|

Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12

Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C

Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C

Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(c4)C(F)(F)F)nc23)on1

Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1

Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1

Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1

O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12

O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12 |r,wU:1.0,(-2.56,-5.93,;-2.16,-4.44,;-3.25,-3.35,;-2.85,-1.87,;-1.36,-1.47,;-.27,-2.56,;-.67,-4.04,;-.96,.02,;-2.05,1.11,;-3.54,.71,;-1.66,2.6,;-2.56,3.84,;-1.66,5.09,;-.19,4.61,;1.14,5.38,;2.48,4.61,;2.48,3.07,;3.81,2.3,;3.81,.76,;2.56,-.14,;3.04,-1.61,;4.58,-1.61,;5.67,-2.7,;7.16,-2.3,;7.56,-.81,;6.47,.28,;5.06,-.14,;1.14,2.3,;-.19,3.07,)|

Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1ccccc1C

Clc1cnc2Nc3cccc(COc4cccc(CNc1n2)c4)c3

Clc1cnc2Nc3cccc(CCOc4cccc(CNc1n2)c4)c3

Clc1cnc2Nc3cccc(c3)S(=O)(=O)Nc3cccc(CNc1n2)c3

Clc1cnc2Nc3cccc(c3)C(=O)Nc3cccc(CNc1n2)c3

Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3

C[C@H]1Nc2nc(Nc3cccc(COc4cccc1c4)c3)ncc2Cl |r|

Clc1cnc2Nc3cccc(OCCOc4cccc(CNc1n2)c4)c3

Clc1cnc2Nc3cccc(COc4cccc(CCNc1n2)c4)c3

Clc1cnc2Nc3cccc(CCOc4cccc(CCNc1n2)c4)c3

Clc1cnc2Nc3cccc(COc4cccc(CCCNc1n2)c4)c3

C[C@@H]1Nc2nc(Nc3cccc(COc4cccc1c4)c3)ncc2Cl |r|

Clc1cnc2Nc3cccc(CCCOc4cccc(CCNc1n2)c4)c3

Clc1cnc2Nc3cccc(CCOc4cccc(CCCNc1n2)c4)c3

Clc1cnc2Nc3cccc(CCCOc4ccc(Br)c(CNc1n2)c4)c3

Clc1cnc2Nc3cccc(CCCOc4ccc(c(CNc1n2)c4)-c1ccccc1)c3

Clc1cnc2Nc3cccc(CCCOc4cc(Br)cc(CNc1n2)c4)c3

Nc1ccc2CNc3nc(Nc4cncc(CCc1c2)c4)ncc3Cl

Clc1cnc2Nc3cncc(CCc4cc(CNc1n2)ccc4NC(=O)c1ccccc1)c3

Clc1cnc2Nc3cncc(CCc4cc(CNc1n2)ccc4NS(=O)(=O)c1ccccc1C#N)c3

NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|

Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|

COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:9.9,27.29,(-7.78,2.63,;-6.29,2.23,;-5.21,3.32,;-5.6,4.81,;-4.51,5.9,;-3.03,5.5,;-1.94,6.59,;-2.63,4.01,;-3.72,2.92,;-3.32,1.43,;-4.22,.19,;-3.32,-1.06,;-1.85,-.58,;-1.85,.96,;-.52,1.73,;-.52,3.27,;.81,4.04,;2.15,3.27,;3.61,3.74,;4.52,2.5,;3.61,1.25,;4.01,-.24,;2.92,-1.33,;5.5,-.64,;5.9,-2.12,;7.38,-2.52,;7.78,-4.01,;6.69,-5.1,;7.09,-6.59,;5.21,-4.7,;4.81,-3.21,;2.15,1.73,;.81,.96,)|

CC(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|

Fc1cncc(c1)C1CCCN1c1ccn2ncc(C(=O)NCC3CC3)c2n1

CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1

Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|

CC1(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|

C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r|

C[C@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r|

Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1

Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CC3)C(F)(F)F)c2n1 |r|

Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:26.28,(-7.38,2.87,;-6.05,3.64,;-6.05,5.18,;-4.72,5.95,;-3.38,5.18,;-2.05,5.95,;-3.38,3.64,;-4.72,2.87,;-4.72,1.33,;-5.96,.42,;-5.49,-1.04,;-3.95,-1.04,;-3.47,.42,;-2.14,1.19,;-2.14,2.73,;-.8,3.5,;.53,2.73,;1.99,3.21,;2.9,1.96,;1.99,.72,;2.76,-.62,;1.99,-1.95,;4.3,-.62,;5.07,-1.95,;6.61,-1.95,;7.38,-3.28,;6.61,-4.62,;7.38,-5.95,;5.07,-4.62,;4.3,-3.28,;.53,1.19,;-.8,.42,)|

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccsn1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)S(=O)(=O)c1ccc(nc1)N1CCOCC1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)S(=O)(=O)c1ccc(Oc2ccccc2)nc1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1cc(ccn1)C#N

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(F)cc1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccsn1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)S(=O)(=O)c1ccc(F)cc1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc3ccccc3)CCc2[nH]1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(Cl)cn1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(nc1)C#N

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(nc1)C#N

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccc4ncccc4c3)CCc2[nH]1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccc(O)cc3)CCc2[nH]1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cccc(O)c3)CCc2[nH]1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccnc(c3)C#N)CCc2[nH]1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cccc(OC)c3)CCc2[nH]1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cnc4ccccc4c3)CCc2[nH]1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccc(Oc4ccccc4)nc3)CCc2[nH]1

CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cccnc3C#N)CCc2[nH]1

Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1

Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3ccccc3)CCc2[nH]1

CC(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|

C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(=O)(=O)c4ccccc4)cc23)C(N)=O)C1(C)C |r|

C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C(N)=O)C1(C)C |r|

COc1ccc(cc1)S(=O)(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|

CCS(=O)(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|

CC(C)c1ccccc1-c1cc2c(N[C@@H]3CCC[C@]3(C)F)c(cnn2c1)C(N)=O |r|

C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cncc2ccccc12)C(N)=O |r|

Cc1cccc(c1)-c1cc2c(N[C@@H]3CCC[C@]3(C)F)c(cnn2c1)C(N)=O |r|

C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cccc(c1)C(N)=O)C(N)=O |r|

C[C@@]1(N)CC[C@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r|

CC1(CCCC1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O)C#N

CC1(C)[C@@H](CC[C@]1(C)NS(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|

Cn1nccc1-c1cc2c(N[C@@H]3C[C@@H](O)[C@@H](O)C3(C)C)c(cnn2c1)C(N)=O |r|

Cn1nccc1-c1cc2c(N[C@@H]3CC[C@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|

C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O |r|

Cn1nccc1-c1cc2c(N[C@H]3CC[C@@](C)(O)CC3)c(cnn2c1)C(N)=O |r,wU:11.11,14.16,wD:14.15,(-3.57,-4.75,;-4.34,-3.42,;-5.81,-2.95,;-5.81,-1.41,;-4.34,-.93,;-3.44,-2.18,;-1.9,-2.18,;-.99,-.93,;.47,-1.41,;1.81,-.64,;1.81,.9,;.47,1.67,;-.86,.9,;-2.19,1.67,;-2.19,3.21,;-3.53,3.98,;-2.19,4.75,;-.86,3.98,;.47,3.21,;3.14,-1.41,;3.14,-2.95,;1.81,-3.72,;.47,-2.95,;-.99,-3.42,;4.47,-.64,;5.81,-1.41,;4.47,.9,)|

C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccccc1C(N)=O)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-3.17,4.7,;-1.84,3.93,;-1.84,5.47,;-1.84,2.39,;-.51,1.62,;.83,2.39,;.83,3.93,;-.51,4.7,;2.16,1.62,;2.16,.08,;3.49,-.69,;3.49,-2.23,;2.16,-3,;.83,-2.23,;-.64,-2.71,;-1.54,-1.46,;-.64,-.22,;.83,-.69,;-3.08,-1.46,;-3.85,-.13,;-5.39,-.13,;-6.16,-1.46,;-5.39,-2.8,;-3.82,-2.85,;-3.05,-4.18,;-3.82,-5.51,;-1.51,-4.18,;4.83,.08,;6.16,-.69,;4.83,1.62,)|

C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccc(cc1)[N+]#[C-])C(N)=O |r,wU:5.8,1.1,wD:1.0,(-1.63,3.47,;-.3,2.69,;-.3,4.23,;-.3,1.15,;1.03,.38,;2.37,1.15,;2.37,2.69,;1.03,3.47,;3.7,.38,;3.7,-1.15,;5.03,-1.93,;5.03,-3.47,;3.7,-4.23,;2.37,-3.47,;.9,-3.94,;-0,-2.69,;.9,-1.45,;2.37,-1.93,;-1.54,-2.69,;-2.31,-1.36,;-3.85,-1.36,;-4.68,-2.69,;-3.85,-4.03,;-2.31,-4.03,;-6.22,-2.69,;-7.76,-2.69,;6.37,-1.15,;7.7,-1.93,;6.37,.38,)|

C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1cncnc1)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-3.17,3.47,;-1.84,2.69,;-1.84,4.23,;-1.84,1.15,;-.51,.38,;.83,1.15,;.83,2.69,;-.51,3.47,;2.16,.38,;2.16,-1.15,;3.49,-1.93,;3.49,-3.47,;2.16,-4.23,;.83,-3.47,;-.64,-3.94,;-1.54,-2.69,;-.64,-1.45,;.83,-1.93,;-3.08,-2.69,;-3.85,-1.36,;-5.39,-1.36,;-6.16,-2.69,;-5.39,-4.03,;-3.85,-4.03,;4.83,-1.15,;6.16,-1.93,;4.83,.38,)|

COc1cccc(c1)-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:21:20:13:15.16.17,12:13:15:20.22.23,12:13:20.19.23:15.16.17,THB:22:20:13:15.16.17,22:16:13:20.19.23,19:20:15:13.18.17,19:18:15:20.22.23,(-6.93,-.59,;-5.39,-.59,;-4.62,-1.93,;-5.39,-3.26,;-4.62,-4.59,;-3.08,-4.59,;-2.31,-3.26,;-3.08,-1.93,;-.77,-3.26,;.13,-2.01,;1.6,-2.49,;2.93,-1.72,;2.93,-.18,;1.6,.59,;.76,2.49,;.76,4.03,;-.57,4.8,;.19,3.63,;.2,1.23,;-1,.57,;-1.9,2.49,;-3.23,1.72,;-1.9,4.03,;-.57,1.72,;4.26,-2.49,;4.26,-4.03,;2.93,-4.8,;1.6,-4.03,;.13,-4.51,;5.6,-1.72,;6.93,-2.49,;5.6,-.18,)|

Cc1cccc(C)c1-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:21:20:13:15.16.17,12:13:15:20.22.23,12:13:20.19.23:15.16.17,THB:22:20:13:15.16.17,22:16:13:20.19.23,19:20:15:13.18.17,19:18:15:20.22.23,(-3.08,-.03,;-3.85,-1.36,;-5.39,-1.36,;-6.16,-2.7,;-5.39,-4.03,;-3.85,-4.03,;-3.08,-5.36,;-3.08,-2.7,;-1.54,-2.7,;-.64,-1.45,;.83,-1.93,;2.16,-1.16,;2.16,.38,;.83,1.15,;-.01,3.05,;-.01,4.59,;-1.34,5.36,;-.58,4.2,;-.57,1.8,;-1.77,1.13,;-2.67,3.05,;-4,2.28,;-2.67,4.59,;-1.34,2.28,;3.49,-1.93,;3.49,-3.47,;2.16,-4.24,;.83,-3.47,;-.64,-3.94,;4.83,-1.16,;6.16,-1.93,;4.83,.38,)|

COc1ccccc1-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:21:20:13:15.16.17,12:13:15:20.22.23,12:13:20.19.23:15.16.17,THB:22:20:13:15.16.17,22:16:13:20.19.23,19:20:15:13.18.17,19:18:15:20.22.23,(-1.54,-5.36,;-3.08,-5.36,;-3.85,-4.03,;-5.39,-4.03,;-6.16,-2.7,;-5.39,-1.36,;-3.85,-1.36,;-3.08,-2.7,;-1.54,-2.7,;-.64,-1.45,;.83,-1.93,;2.16,-1.16,;2.16,.38,;.83,1.15,;-.01,3.05,;-.01,4.59,;-1.34,5.36,;-.58,4.2,;-.57,1.8,;-1.77,1.13,;-2.67,3.05,;-4,2.28,;-2.67,4.59,;-1.34,2.28,;3.49,-1.93,;3.49,-3.47,;2.16,-4.24,;.83,-3.47,;-.64,-3.94,;4.83,-1.16,;6.16,-1.93,;4.83,.38,)|

Cn1nccc1-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:19:18:11:13.14.15,10:11:13:18.20.21,10:11:18.17.21:13.14.15,THB:20:18:11:13.14.15,20:14:11:18.17.21,17:18:13:11.16.15,17:16:13:18.20.21,(-3.57,-5.32,;-4.34,-3.99,;-5.81,-3.51,;-5.81,-1.97,;-4.34,-1.49,;-3.44,-2.74,;-1.9,-2.74,;-.99,-1.49,;.47,-1.97,;1.81,-1.2,;1.81,.34,;.47,1.11,;-.36,3.01,;-.36,4.55,;-1.69,5.32,;-.94,4.15,;-.92,1.75,;-2.13,1.09,;-3.02,3.01,;-4.36,2.24,;-3.02,4.55,;-1.69,2.24,;3.14,-1.97,;3.14,-3.51,;1.81,-4.28,;.47,-3.51,;-.99,-3.99,;4.47,-1.2,;5.81,-1.97,;4.47,.34,)|

Cc1ccc(cc1)-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:20:19:12:14.15.16,11:12:14:19.21.22,11:12:19.18.22:14.15.16,THB:21:19:12:14.15.16,21:15:12:19.18.22,18:19:14:12.17.16,18:17:14:19.21.22,(-6.93,-3.26,;-5.39,-3.26,;-4.62,-1.93,;-3.08,-1.93,;-2.31,-3.26,;-3.08,-4.59,;-4.62,-4.59,;-.77,-3.26,;.13,-2.01,;1.6,-2.49,;2.93,-1.72,;2.93,-.18,;1.6,.59,;.76,2.49,;.76,4.03,;-.57,4.8,;.19,3.63,;.2,1.23,;-1,.57,;-1.9,2.49,;-3.23,1.72,;-1.9,4.03,;-.57,1.72,;4.26,-2.49,;4.26,-4.03,;2.93,-4.8,;1.6,-4.03,;.13,-4.51,;5.6,-1.72,;6.93,-2.49,;5.6,-.18,)|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r|

Cc1ccncc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(nc2)N2CCCC2)C(N)=O)C1(C)C |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C(=O)NC2CC2)C(N)=O)C1(C)C |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2C(N)=O)C(N)=O)C1(C)C |r|

CC(=O)Nc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|

CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(CO)cc2)C(N)=O)C1(C)C |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc3ncccc23)C(N)=O)C1(C)C |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cncc(c2)C(O)=O)C(N)=O)C1(C)C |r|

COc1ncc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|

COc1cncc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|

C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r|

NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc(F)cc1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|

NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc2scnc2c1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|

CC1(C)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)N2CCOCC2=O)C(N)=O)C1(C)C |r|

C[C@]1(O)CCCC[C@@H]1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|

C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1cncnc1N)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-2.61,4.7,;-1.84,3.36,;-3.38,3.36,;-1.84,1.82,;-.51,1.05,;.83,1.82,;.83,3.36,;-.51,4.13,;2.16,1.05,;2.16,-.49,;3.49,-1.26,;3.49,-2.8,;2.16,-3.57,;.83,-2.8,;-.64,-3.27,;-1.54,-2.03,;-.64,-.78,;.83,-1.26,;-3.08,-2.03,;-3.85,-.69,;-5.39,-.69,;-6.16,-2.03,;-5.39,-3.36,;-3.85,-3.36,;-3.08,-4.7,;4.83,-.49,;6.16,-1.26,;4.83,1.05,)|

C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCOC1=O)C(N)=O |r|

C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCOCC1=O)C(N)=O |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)N2CCCC2=O)C(N)=O)C1(C)C |r|

C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)N2CCC2=O)C(N)=O)C1(C)C |r|

COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(NS(C)(=O)=O)C3(C)C)c(cnn2c1)C(N)=O |r|

CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|

COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(C(N)=O)C3(C)C)c(cnn2c1)C(N)=O |r|

CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(F)nc1)C(N)=O |r|

CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C#N)C(N)=O |r|

NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccc(F)cc1

NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cncc(F)c1

Cn1nccc1-c1cc2c(NC3CCOCC3)c(cnn2c1)C(N)=O

NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cccnc1

NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cncnc1

NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccccc1C#N

NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccccc1F

NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cnc2ccccc2c1

CC1(F)COCC1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O

CS(=O)(=O)N1CCC[C@@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O

NC(=O)c1cnn2cc(cc2c1N[C@@H]1CCCNC1)-c1ccccc1

CCOC(=O)N1CCC[C@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O

COc1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O

COc1ccc(cn1)-c1cc2c(N[C@H]3CN(C[C@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O

COc1ccc(cn1)-c1cc2c(N[C@@H]3CCN(CC3(C)C)C(=O)C(N)=O)c(cnn2c1)C(N)=O

COc1ccc(cn1)-c1cc2c(N[C@H]3CCN(CC3(C)C)C(=O)[C@H](C)O)c(cnn2c1)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1cnc(N)nc1)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)N1CCN(C(C)=O)C1=O)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CO)Nc1c(cnn2cc(cc12)-c1ccc(cc1)C(N)=O)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)C(C)(C)O)Nc1c(cnn2cc(cc12)-c1cnc(N)nc1)C(N)=O

CNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3C[C@@H]4CN(C[C@@H]4[C@H]3C)C(=O)C(C)(C)O)c(cnn2c1)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1nnn(C)n1)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CF)Nc1c(cnn2cc(cc12)-c1cnc(N)c(F)c1)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CO)Nc1c(cnn2cc(cc12)-c1ccc(cc1)C(=O)NC1CC1)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)C(C)(C)O)Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O

C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(C)=O)Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O

CCC(=O)N1C[C@H]2C[C@@H](Nc3c(cnn4cc(cc34)-c3ccc(F)nc3)C(N)=O)[C@H](C)[C@H]2C1

CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC[C@@H](O)C1=O)C(N)=O)c1ccc(cn1)C#N

CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC(CC1=O)c1ccccc1)C(N)=O)c1ccc(cn1)C#N

CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CCC(CCCC([O-])=O)C1=O)C(N)=O)c1ncc(cn1)C#N

CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CCC#N)c1)C(N)=O)S(C)(=O)=O

CC[C@H](O)C(=O)N1CC[C@@H](Nc2c(cnn3cc(cc23)-c2cnn(C)c2)C(N)=O)[C@H](CC)C1

CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(C)c1)C(N)=O)C(=O)C(C)(C)O

CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(OC)c1)C(N)=O)C(=O)[C@H](C)O

CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)C(=O)[C@H](C)O

CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)C(=O)CC(F)(F)F

CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)C(=O)[C@@H](C)O

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(=O)n(C)c1)C(N)=O)c1ccc(cn1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)c1ccc(cn1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)c1ncc(s1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)c1ncc(s1)C#N

C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N

C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CCC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N

CNC(=O)Cn1cc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)c3ccc(Cl)cn3)c(cnn2c1)C(N)=O

C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(F)nc1)C(N)=O)C(=O)CC#N

C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(F)c1)C(N)=O)C(=O)CC#N

CNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)OC)c(cnn2c1)C(N)=O

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(C)nc1)C(N)=O)C(=O)C1(CC1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)S(C)(=O)=O

CCNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CC)C(=O)C(C)(C)C#N)c(cnn2c1)C(N)=O

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(Cl)c1)C(N)=O)C(=O)C1(CCC1)C#N

CS(=O)(=O)N1C[C@H](CF)[C@@H](C1)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C(F)(F)F)C(N)=O

COc1ncc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O

CCOc1ncc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cc(C)no1)C(N)=O)C(=O)OC(C)(C)C

CNC(=O)c1cccc(c1)-c1cc2c(N[C@@H]3CN(C[C@@H]3OC)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O

CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(F)cc1)C(N)=O)C(=O)C1(CC1)C#N

CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(cc1)C#N)C(N)=O)C(=O)C1(CC1)C#N

CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(OC)nc1)C(N)=O)S(C)(=O)=O

CCOC(=O)c1c[nH]c2ncnc(-c3ccccc3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4cn(C)nc4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)cc3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(OCC(F)(F)F)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C)c(N)c3)c12

CCOC(=O)c1c[nH]c2ncnc(C3=CCCCC3)c12 |t:13|

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(Cl)c(N)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4c(F)n(C)nc4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4CCNc4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CO)c(N)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(O)cc3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(Cl)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4ccccc4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccccc3F)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(F)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(cc3)-c3ccccc3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(O)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(cc3)N(C)C)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4OCOc4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cc4ccccc4s3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(OCc4ccccc4)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4NCCc4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cc4ccccc4o3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4[nH]ncc4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(N)cc3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4cc[nH]c4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(cc3)-n3cccn3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(cc3)N3CCS(=O)(=O)CC3)c12

CCCOC(=O)c1c[nH]c2ncnc(-c3ccc4cn(C)nc4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cncc(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)nc(OC)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CC)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(Cl)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C)c(NC(=O)C=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3C)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(Cl)c(NC(=O)C=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)c(NC(=O)C=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)ccc3F)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4CCN(C(=O)C=C)c4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4CCN(C(=O)C(C)=C)c4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc4ccn(C(=O)C(C)=C)c4c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)cc(c3)C#N)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CO)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cc(C)cc(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C#N)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C(=O)N(C)C)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(c(NC(=O)C(C)=C)c3)S(C)(=O)=O)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CN(C)C)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(O)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cnc(OC)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3c[nH]c(=O)c(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)c(=O)n(C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccnc(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(F)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C#CC)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(Br)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(Cl)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\COC)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C/C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(F)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\C(C)=O)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\c4ccccn4)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\c4ccncc4)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\c4c[nH]c5ccccc45)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C(\C)C(F)(F)F)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C4=CC(=O)CC4)c3)c12 |t:21|

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\c4nccs4)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CN4CCOCC4)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)COC)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(Nc4nc(Cl)ns4)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NS(=O)(=O)C=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NS(=O)(=O)\C=C\C)c3)c12

COC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(C)=C)c3)c12

COC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(c3)N(C)C(=O)C=C)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CNS(C)(=O)=O)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CF)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CO)c3)c12

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C4(C)CO4)c3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccc(C)c3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccc(F)c3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3F)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccc(F)cc3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccc(F)c3Cl)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3C)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccc(C)cc3)c12

C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cnc[nH]3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccnc3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(C3=CCOCC3)c12 |t:21|

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cnc(C)s3)c12

CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cncs3)c12

COC(=O)Cc1ccc(OC)c(c1)-c1c[nH]c2ncnc(-c3ccccc3)c12

COc1ccccc1-c1c[nH]c2ncnc(-c3ccccc3)c12

COc1ccccc1-c1c[nH]c2ncnc(-c3ccc4cn(C)nc4c3)c12

COc1ccc(F)cc1-c1c[nH]c2ncnc(-c3ccccc3)c12

Fc1cccc(c1)-c1cnccc1NC(=O)c1cnn2cccnc12

Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(Cl)ccc1C

Clc1ccc(=O)n(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12

Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccc1Br

COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O |(1.54,-5.36,;.77,-4.03,;1.54,-2.7,;3.08,-2.7,;3.85,-1.36,;3.08,-.03,;3.85,1.31,;1.54,-.03,;.77,-1.36,;-.77,-1.36,;-1.67,-.12,;-.9,1.22,;-1.67,2.55,;-3.16,2.15,;-.9,3.89,;-1.81,5.13,;-3.35,5.13,;-.9,6.38,;.56,5.9,;1.89,6.67,;3.23,5.9,;3.23,4.36,;1.89,3.59,;.56,4.36,;-3.14,-.59,;-3.14,-2.13,;-1.67,-2.61,;-1.28,-4.09,;-2.36,-5.18,;-1.97,-6.67,;-3.85,-4.79,)|

CC1CCCCN1c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12

COc1ncc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N

COc1ccc(cc1-c1nn(Cc2nncn2C)cc1NC(=O)c1cnn2cccnc12)C#N

COc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12

COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12

COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N

COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12

COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:19|

COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12

COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12

CCOc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)[C@H]1CCCC[C@@H]1O |r|

COc1cnc(cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12)C(F)(F)F

Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(Cl)ccc1Cl

Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(ccc1C)C#N

Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl

Clc1ccccc1-n1nccc1NC(=O)c1cnn2cccnc12

COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO |(1.2,-5.39,;.43,-4.06,;1.2,-2.73,;2.74,-2.73,;3.51,-1.39,;2.74,-.06,;3.51,1.27,;1.2,-.06,;.43,-1.39,;-1.11,-1.39,;-2.02,-.15,;-1.25,1.19,;-2.02,2.52,;-3.51,2.12,;-1.25,3.85,;-2.15,5.1,;-1.25,6.35,;.22,5.87,;1.55,6.64,;2.88,5.87,;2.88,4.33,;1.55,3.56,;.22,4.33,;-3.48,-.62,;-3.48,-2.16,;-2.02,-2.64,;-1.25,-3.97,;-2.02,-5.31,;-1.25,-6.64,)|

O=C(Nc1c[nH]nc1N1CCC(CC1)C#N)c1cnn2cccnc12

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)|

CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2

CC(C)CS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.44,2.67,;3.95,2.27,;3.55,.79,;2.86,3.36,;1.37,2.96,;1.37,4.5,;-.11,3.36,;.97,1.48,;-.51,1.08,;-1.85,1.85,;-2.62,.51,;-1.28,-.26,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@H](CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:10.10,wD:2.1,4.6,12.13,(-5.36,3.28,;-4.28,2.19,;-2.79,2.59,;-2.02,3.92,;-.68,3.15,;-1.45,1.82,;.8,3.55,;1.89,2.46,;3.38,2.86,;1.49,.97,;2.98,1.37,;4.52,1.37,;4.52,-.17,;5.61,-1.26,;4.84,-2.59,;4.07,-3.92,;2.98,-.17,;-4.28,.65,;-5.61,-.12,;-5.61,-1.66,;-4.28,-2.43,;-2.94,-1.66,;-1.48,-2.14,;-.57,-.89,;-1.48,.36,;-2.94,-.12,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@@H]1C[C@H](CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:10.10,12.13,wD:2.1,4.6,(-5.89,1.48,;-4.55,.71,;-3.22,1.48,;-2.82,2.97,;-1.33,2.57,;-1.73,1.09,;,3.34,;1.33,2.57,;.56,1.24,;2.1,3.91,;2.67,1.8,;3.07,.32,;4.55,.71,;5.89,-.06,;5.89,-1.6,;5.89,-3.14,;4.15,2.2,;-4.55,-.83,;-5.89,-1.6,;-5.89,-3.14,;-4.55,-3.91,;-3.22,-3.14,;-1.76,-3.61,;-.85,-2.37,;-1.76,-1.12,;-3.22,-1.6,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1(CC#N)COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.26,.84,;-4.93,.07,;-3.59,.84,;-3.59,2.38,;-2.05,2.38,;-2.05,.84,;-.96,3.47,;.52,3.07,;.92,4.55,;.13,1.58,;2.01,2.67,;2.41,1.18,;3.18,2.51,;4.72,2.51,;6.26,2.51,;1.32,.09,;2.41,-1,;3.5,.09,;-4.93,-1.47,;-6.26,-2.24,;-6.26,-3.78,;-4.93,-4.55,;-3.59,-3.78,;-2.13,-4.26,;-1.22,-3.01,;-2.13,-1.77,;-3.59,-2.24,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.89,1.77,;-4.55,1,;-3.22,1.77,;-2.82,3.25,;-1.33,2.85,;-1.73,1.37,;,3.62,;1.33,2.85,;.24,1.77,;2.42,1.77,;2.67,3.62,;4,2.85,;4.4,1.37,;5.89,1.77,;5.49,3.25,;-4.55,-.54,;-5.89,-1.31,;-5.89,-2.85,;-4.55,-3.62,;-3.22,-2.85,;-1.76,-3.33,;-.85,-2.08,;-1.76,-.84,;-3.22,-1.31,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@@](C)(CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.13,wD:2.1,4.6,10.10,12.14,(-5.89,1.48,;-4.55,.71,;-3.22,1.48,;-2.82,2.97,;-1.33,2.57,;-1.73,1.09,;,3.34,;1.33,2.57,;.56,1.24,;2.1,3.91,;2.67,1.8,;3.07,.32,;4.55,.71,;5.89,1.48,;5.89,-.06,;5.89,-1.6,;5.89,-3.14,;4.15,2.2,;-4.55,-.83,;-5.89,-1.6,;-5.89,-3.14,;-4.55,-3.91,;-3.22,-3.14,;-1.76,-3.61,;-.85,-2.37,;-1.76,-1.12,;-3.22,-1.6,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)[C@H]1C[C@](C)(CC#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.6,10.10,12.13,(-5.49,3.28,;-4.4,2.19,;-2.91,2.59,;-2.14,3.92,;-.81,3.15,;-1.58,1.82,;.68,3.55,;1.77,2.46,;3.26,2.86,;1.37,.97,;2.86,1.37,;2.86,-.17,;4.4,-.17,;5.73,.6,;5.49,-1.26,;4.72,-2.59,;3.95,-3.92,;4.4,1.37,;-4.4,.65,;-5.73,-.12,;-5.73,-1.66,;-4.4,-2.43,;-3.06,-1.66,;-1.6,-2.14,;-.69,-.89,;-1.6,.36,;-3.06,-.12,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cc(ccn1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.61,;-4.28,.84,;-2.94,1.61,;-2.55,3.09,;-1.06,2.69,;-1.46,1.21,;.28,3.47,;1.61,2.69,;.52,1.61,;2.7,3.78,;2.94,1.93,;2.94,.38,;4.28,-.38,;5.61,.38,;5.61,1.93,;4.28,2.69,;4.28,-1.92,;4.28,-3.46,;-4.28,-.7,;-5.61,-1.47,;-5.61,-3.01,;-4.28,-3.78,;-2.94,-3.01,;-1.48,-3.49,;-.57,-2.24,;-1.48,-1,;-2.94,-1.47,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cccc(c1)C(C)(C)O)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.71,-.25,;-5.38,-1.02,;-4.04,-.25,;-4.04,1.29,;-2.5,1.29,;-2.5,-.25,;-1.42,2.38,;.07,1.98,;1.41,1.21,;-.33,.49,;1.16,3.07,;.76,4.55,;1.85,5.64,;3.34,5.24,;3.74,3.76,;2.65,2.67,;5.22,3.36,;6.31,4.45,;6.71,2.96,;5.62,1.87,;-5.38,-2.56,;-6.71,-3.33,;-6.71,-4.87,;-5.38,-5.64,;-4.04,-4.87,;-2.58,-5.35,;-1.67,-4.1,;-2.58,-2.86,;-4.04,-3.33,)|

CN([C@H]1C[C@@H](C1)NS(=O)(=O)CC1CC1)c1ncnc2[nH]ccc12 |r,wU:4.6,wD:2.1,(-5.71,1.77,;-4.38,1,;-3.05,1.77,;-1.56,1.37,;-1.16,2.85,;-2.65,3.25,;.17,3.62,;1.51,2.85,;.74,1.52,;2.6,1.77,;2.84,3.62,;4.17,2.85,;4.94,1.52,;5.71,2.85,;-4.38,-.54,;-5.71,-1.31,;-5.71,-2.85,;-4.38,-3.62,;-3.05,-2.85,;-1.58,-3.33,;-.68,-2.08,;-1.58,-.84,;-3.05,-1.31,)|

CCCS(=O)(=O)N[C@H]1CC[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CC(F)(F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.73,.84,;-4.4,.07,;-3.06,.84,;-3.06,2.38,;-1.52,2.38,;-1.52,.84,;-.44,3.47,;1.05,3.07,;1.45,4.55,;.65,1.58,;2.54,2.67,;3.31,1.33,;2.91,-.15,;4.4,-.55,;5.73,-1.32,;3.63,-1.89,;4.8,.94,;-4.4,-1.47,;-5.73,-2.24,;-5.73,-3.78,;-4.4,-4.55,;-3.06,-3.78,;-1.6,-4.26,;-.69,-3.01,;-1.6,-1.77,;-3.06,-2.24,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC(F)(F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.69,.29,;-4.36,-.48,;-3.03,.29,;-2.63,1.78,;-1.14,1.38,;-1.54,-.11,;.19,2.15,;1.53,1.38,;.44,.29,;2.61,.29,;2.61,2.47,;4.15,2.47,;4.15,4.01,;5.69,4.01,;5.24,5.1,;2.61,4.01,;-4.36,-2.02,;-5.69,-2.79,;-5.69,-4.33,;-4.36,-5.1,;-3.03,-4.33,;-1.56,-4.8,;-.66,-3.56,;-1.56,-2.31,;-3.03,-2.79,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.71,1.77,;-4.38,1,;-3.05,1.77,;-2.65,3.25,;-1.16,2.85,;-1.56,1.37,;.17,3.62,;1.51,2.85,;.74,1.52,;2.6,1.77,;2.84,3.62,;4.17,2.85,;4.94,1.52,;5.71,2.85,;-4.38,-.54,;-5.71,-1.31,;-5.71,-2.85,;-4.38,-3.62,;-3.05,-2.85,;-1.58,-3.33,;-.68,-2.08,;-1.58,-.84,;-3.05,-1.31,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CN(C1)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.66,1.77,;-5.32,1,;-3.99,1.77,;-3.59,3.25,;-2.1,2.85,;-2.5,1.37,;-.77,3.62,;.56,2.85,;.56,1.31,;1.9,3.62,;1.9,2.08,;2.3,.6,;3.78,1,;3.38,2.48,;5.12,.23,;5.89,-1.11,;6.66,.23,;-5.32,-.54,;-6.66,-1.31,;-6.66,-2.85,;-5.32,-3.62,;-3.99,-2.85,;-2.53,-3.33,;-1.62,-2.08,;-2.53,-.84,;-3.99,-1.31,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)NCC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.38,1.1,;-5.05,.33,;-3.71,1.1,;-3.32,2.59,;-1.83,2.19,;-2.23,.7,;-.49,2.96,;.84,2.19,;.07,.85,;1.61,.85,;2.17,2.96,;3.51,2.19,;4.84,2.96,;6.38,2.96,;5.61,4.29,;-5.05,-1.21,;-6.38,-1.98,;-6.38,-3.52,;-5.05,-4.29,;-3.71,-3.52,;-2.25,-4,;-1.34,-2.75,;-2.25,-1.51,;-3.71,-1.98,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC[C@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wU:13.16,wD:2.1,4.6,(-5.47,1.61,;-4.14,.84,;-2.8,1.61,;-2.4,3.09,;-.92,2.69,;-1.32,1.21,;.42,3.47,;1.75,2.69,;.66,1.61,;2.84,3.78,;3.08,1.93,;4.57,2.4,;5.47,1.15,;4.57,-.1,;3.1,.38,;4.96,-1.58,;5.36,-3.07,;-4.14,-.7,;-5.47,-1.47,;-5.47,-3.01,;-4.14,-3.78,;-2.8,-3.01,;-1.34,-3.49,;-.43,-2.24,;-1.34,-1,;-2.8,-1.47,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC[C@@H](C1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,13.16,(-5.79,1.48,;-4.45,.71,;-3.12,1.48,;-2.72,2.97,;-1.23,2.57,;-1.63,1.09,;.1,3.34,;1.43,2.57,;.66,1.24,;2.2,3.91,;2.77,1.8,;4.25,2.27,;5.15,1.03,;4.25,-.22,;2.78,.26,;5.02,-1.55,;5.79,-2.89,;-4.45,-.83,;-5.79,-1.6,;-5.79,-3.14,;-4.45,-3.91,;-3.12,-3.14,;-1.66,-3.61,;-.75,-2.37,;-1.66,-1.12,;-3.12,-1.6,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1Cc2cn(C)nc2C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.86,-.01,;-5.53,-.78,;-4.19,-.01,;-3.8,1.48,;-2.31,1.08,;-2.71,-.41,;-.97,1.85,;.36,1.08,;-.73,-.01,;1.13,-.26,;1.69,1.85,;3.16,1.37,;4.06,2.62,;5.53,3.09,;5.53,4.63,;6.86,5.4,;4.06,5.11,;3.16,3.86,;1.69,3.39,;-5.53,-2.32,;-6.86,-3.09,;-6.86,-4.63,;-5.53,-5.4,;-4.19,-4.63,;-2.86,-5.4,;-1.53,-4.63,;-1.53,-3.09,;-4.19,-3.09,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@@H]2C[C@H](C1)O2)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,12.18,14.17,(-5.92,1.22,;-4.58,.45,;-3.25,1.22,;-2.85,2.71,;-1.37,2.31,;-1.76,.82,;-.03,3.08,;1.46,2.68,;1.85,4.17,;.69,1.35,;2.94,2.28,;3.34,.8,;4.83,.4,;4.43,1.88,;5.52,2.97,;4.03,3.37,;5.92,1.49,;-4.58,-1.09,;-5.92,-1.86,;-5.92,-3.4,;-4.58,-4.17,;-3.25,-3.4,;-1.79,-3.87,;-.88,-2.63,;-1.79,-1.38,;-3.25,-1.86,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CC(C1)C#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.55,1.61,;-5.22,.84,;-3.89,1.61,;-3.49,3.09,;-2,2.69,;-2.4,1.21,;-.67,3.47,;.67,2.69,;-.42,1.61,;1.76,3.78,;2,1.93,;2.4,.44,;3.89,.84,;3.49,2.32,;5.22,.07,;6.55,-.7,;-5.22,-.7,;-6.55,-1.47,;-6.55,-3.01,;-5.22,-3.78,;-3.89,-3.01,;-2.42,-3.49,;-1.52,-2.24,;-2.42,-1,;-3.89,-1.47,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCC(CC1)c1cc[nH]n1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-7.52,1.48,;-6.19,.71,;-4.86,1.48,;-4.46,2.97,;-2.97,2.57,;-3.37,1.09,;-1.64,3.34,;-.3,2.57,;-1.07,1.24,;.47,3.91,;1.03,1.8,;1.03,.26,;2.36,-.51,;3.7,.26,;3.7,1.8,;2.36,2.57,;5.03,-.51,;6.28,.4,;7.52,-.51,;7.05,-1.97,;5.51,-1.97,;-6.19,-.83,;-7.52,-1.6,;-7.52,-3.14,;-6.19,-3.91,;-4.86,-3.14,;-3.39,-3.61,;-2.49,-2.37,;-3.39,-1.12,;-4.86,-1.6,)|

CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@H]2C[C@]2(C1)C#N)c1ncnc2[nH]ccc12 |r,wU:14.18,wD:2.1,4.6,12.13,(-6.58,1.61,;-5.25,.84,;-3.92,1.61,;-3.52,3.09,;-2.03,2.69,;-2.43,1.21,;-.7,3.47,;.64,2.69,;-.45,1.61,;1.72,3.78,;1.97,1.93,;2.13,.39,;3.64,.07,;5.18,.07,;4.41,1.41,;3.38,2.55,;5.5,2.5,;6.58,3.58,;-5.25,-.7,;-6.58,-1.47,;-6.58,-3.01,;-5.25,-3.78,;-3.92,-3.01,;-2.45,-3.49,;-1.55,-2.24,;-2.45,-1,;-3.92,-1.47,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@@H]2C[C@@]2(C1)C#N)c1ncnc2[nH]ccc12 |r,wU:12.13,wD:2.1,4.6,14.18,(-6.58,1.48,;-5.25,.71,;-3.92,1.48,;-3.52,2.97,;-2.03,2.57,;-2.43,1.09,;-.7,3.34,;.64,2.57,;-.13,1.24,;1.41,3.91,;1.97,1.8,;2.13,.27,;3.64,-.05,;5.18,-.05,;4.41,1.28,;3.38,2.43,;5.5,2.37,;6.58,3.46,;-5.25,-.83,;-6.58,-1.6,;-6.58,-3.14,;-5.25,-3.91,;-3.92,-3.14,;-2.45,-3.61,;-1.55,-2.37,;-2.45,-1.12,;-3.92,-1.6,)|

CN([C@H]1C[C@@H](C1)NS(=O)(=O)N1CCC(C1)C#N)c1ncnc2[nH]ccc12 |r,w:13.16,wU:4.6,wD:2.1,(-5.78,-.58,;-4.45,-1.35,;-3.11,-.58,;-1.62,-.97,;-1.23,.51,;-2.71,.91,;.11,1.28,;1.44,.51,;.67,-.82,;2.21,-.82,;2.77,1.28,;4.24,.81,;5.14,2.05,;4.24,3.3,;2.77,2.82,;5.01,4.63,;5.78,5.97,;-4.45,-2.89,;-5.78,-3.66,;-5.78,-5.2,;-4.45,-5.97,;-3.11,-5.2,;-1.65,-5.67,;-.74,-4.43,;-1.65,-3.18,;-3.11,-3.66,)|

CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(F)(F)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.79,-.25,;-4.45,-1.02,;-3.12,-.25,;-2.72,1.23,;-1.23,.84,;.1,1.61,;1.43,.84,;.34,-.25,;2.52,-.25,;2.52,1.93,;4.01,1.53,;5.1,2.62,;4.7,4.1,;5.79,5.19,;4.7,5.64,;3.21,4.5,;2.12,3.41,;-1.63,-.65,;-4.45,-2.56,;-5.79,-3.33,;-5.79,-4.87,;-4.45,-5.64,;-3.12,-4.87,;-1.66,-5.35,;-.75,-4.1,;-1.66,-2.86,;-3.12,-3.33,)|

CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(O)(CC2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.8,-.33,;-5.47,-1.1,;-4.14,-.33,;-4.14,1.21,;-2.6,1.21,;-1.51,2.3,;-.17,1.53,;-.94,.19,;.92,.44,;1.16,2.3,;2.49,1.53,;3.83,2.3,;3.83,3.84,;3.83,5.38,;2.49,4.61,;1.16,3.84,;5.32,4.23,;6.4,3.15,;5.71,5.72,;6.8,4.63,;-2.6,-.33,;-5.47,-2.64,;-6.8,-3.41,;-6.8,-4.95,;-5.47,-5.72,;-4.14,-4.95,;-2.67,-5.43,;-1.77,-4.18,;-2.67,-2.94,;-4.14,-3.41,)|

CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,12.14,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)|

CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)|

CCCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.98,3.24,;4.65,4.01,;3.32,3.24,;1.98,4.01,;.65,3.24,;-.12,1.91,;1.74,2.15,;-.69,4.01,;-1.78,2.92,;-3.32,2.92,;-3.32,1.38,;-1.78,1.38,;-4.65,.61,;-5.98,1.38,;-4.65,-.93,;-5.98,-1.7,;-5.98,-3.24,;-4.65,-4.01,;-3.32,-3.24,;-1.85,-3.72,;-.95,-2.47,;-1.85,-1.22,;-3.32,-1.7,)|

CCCS(=O)(=O)C[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(5.44,2.67,;3.95,2.27,;2.86,3.36,;1.37,2.96,;-.11,3.36,;1.37,4.5,;.97,1.48,;-.51,1.08,;-1.28,-.26,;-2.62,.51,;-1.85,1.85,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)|

CN([C@@H]1C[C@H](CS(=O)(=O)CCC2CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.82,.84,;-4.49,.07,;-3.16,.84,;-3.16,2.38,;-1.62,2.38,;-.53,3.47,;.96,3.07,;1.36,4.55,;.56,1.58,;2.45,2.67,;2.85,1.18,;4.33,.78,;5.42,-.31,;5.82,1.18,;-1.62,.84,;-4.49,-1.47,;-5.82,-2.24,;-5.82,-3.78,;-4.49,-4.55,;-3.16,-3.78,;-1.69,-4.26,;-.79,-3.01,;-1.69,-1.77,;-3.16,-2.24,)|

CN([C@@H]1C[C@H](CS(=O)(=O)CC2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.34,1.38,;-5,.61,;-3.67,1.38,;-3.67,2.92,;-2.13,2.92,;-1.04,4.01,;.29,3.24,;-.48,1.91,;1.38,2.15,;1.63,4.01,;2.96,3.24,;3.36,1.75,;4.85,2.15,;6.34,2.55,;5.62,.82,;4.45,3.64,;-2.13,1.38,;-5,-.93,;-6.34,-1.7,;-6.34,-3.24,;-5,-4.01,;-3.67,-3.24,;-2.2,-3.72,;-1.3,-2.47,;-2.2,-1.22,;-3.67,-1.7,)|

CN([C@@H]1C[C@H](CS(=O)(=O)[C@H]2CC[C@@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,9.8,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)|

CN([C@@H]1C[C@H](CS(=O)(=O)[C@@H]2CC[C@H](C2)C#N)C1)c1ncnc2[nH]ccc12 |r,wU:9.8,wD:2.1,4.4,12.14,(-7.01,1.61,;-5.68,.84,;-4.34,1.61,;-3.94,3.09,;-2.46,2.69,;-1.12,3.47,;.21,2.69,;-.88,1.61,;1.3,3.78,;1.54,1.93,;1.56,.38,;3.03,-.1,;3.93,1.15,;3.03,2.4,;5.47,1.15,;7.01,1.15,;-2.86,1.21,;-5.68,-.7,;-7.01,-1.47,;-7.01,-3.01,;-5.68,-3.78,;-4.34,-3.01,;-2.88,-3.49,;-1.97,-2.24,;-2.88,-1,;-4.34,-1.47,)|

CC(C)N1CCC(C1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,w:8.8,wD:14.17,12.12,(6.62,4.68,;5.85,3.34,;6.62,2.01,;4.31,3.34,;3.4,4.59,;1.94,4.11,;1.94,2.57,;3.4,2.1,;.6,1.8,;-.49,.71,;1.94,1.03,;-.73,2.57,;-2.06,1.8,;-3.55,2.2,;-3.95,.71,;-2.46,.32,;-5.28,-.06,;-6.62,.71,;-5.28,-1.6,;-6.62,-2.37,;-6.62,-3.91,;-5.28,-4.68,;-3.95,-3.91,;-2.49,-4.38,;-1.58,-3.14,;-2.49,-1.89,;-3.95,-2.37,)|

CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)c(Cl)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.98,.23,;-4.65,-.54,;-3.32,.23,;-3.32,1.77,;-1.78,1.77,;-.69,2.85,;.65,2.08,;-.12,.75,;1.74,1,;1.98,2.85,;1.98,4.39,;3.32,5.16,;4.65,4.39,;5.98,5.16,;4.65,2.85,;5.98,2.08,;3.32,2.08,;-1.78,.23,;-4.65,-2.08,;-5.98,-2.85,;-5.98,-4.39,;-4.65,-5.16,;-3.32,-4.39,;-1.85,-4.87,;-.95,-3.62,;-1.85,-2.38,;-3.32,-2.85,)|

CN([C@@H]1C[C@H](CS(=O)(=O)c2cc(ccn2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,.61,;-5.61,-.16,;-4.28,.61,;-3.88,2.1,;-2.39,1.7,;-1.06,2.47,;.28,1.7,;-.49,.37,;1.05,.37,;1.61,2.47,;2.94,1.7,;4.28,2.47,;4.28,4.01,;2.94,4.78,;1.61,4.01,;5.61,1.7,;6.94,.93,;-2.79,.21,;-5.61,-1.7,;-6.94,-2.47,;-6.94,-4.01,;-5.61,-4.78,;-4.28,-4.01,;-2.81,-4.49,;-1.91,-3.24,;-2.81,-1.99,;-4.28,-2.47,)|

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1cnc(C)s1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.46,.09,;-4.13,-.68,;-2.79,.09,;-2.4,1.58,;-.91,1.18,;-1.31,-.31,;.43,1.95,;1.76,1.18,;.99,-.15,;2.53,-.15,;3.09,1.95,;4.56,1.47,;5.46,2.72,;4.56,3.97,;5.33,5.3,;3.09,3.49,;-4.13,-2.22,;-5.46,-2.99,;-5.46,-4.53,;-4.13,-5.3,;-2.79,-4.53,;-1.33,-5.01,;-.43,-3.76,;-1.33,-2.51,;-2.79,-2.99,)|

Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1

Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1

Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1

CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)|

CN([C@H]1CC[C@H](CS(=O)(=O)NC2CCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.28,1.54,;-4.94,.77,;-3.61,1.54,;-3.61,3.08,;-2.28,3.85,;-.94,3.08,;.39,3.85,;1.72,3.08,;.95,1.75,;2.49,1.75,;3.06,3.85,;4.39,3.08,;4.79,1.59,;6.28,1.99,;5.88,3.48,;-.94,1.54,;-2.28,.77,;-4.94,-.77,;-6.28,-1.54,;-6.28,-3.08,;-4.94,-3.85,;-3.61,-3.08,;-2.28,-3.85,;-.94,-3.08,;-.94,-1.54,;-3.61,-1.54,)|

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

CN(C)C\C=C\C(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23.26,wD:26.33,(-8.87,3.22,;-8.1,1.89,;-8.87,.55,;-8.1,-.78,;-6.56,-.78,;-5.79,.55,;-4.28,.87,;-4.12,2.4,;-5.53,3.03,;-5.93,4.52,;-4.84,5.61,;-5.24,7.1,;-6.72,7.49,;-7.12,8.98,;-6.03,10.07,;-4.55,9.67,;-3.46,10.76,;-3.86,12.25,;-5.34,12.65,;-6.43,11.56,;-7.81,6.4,;-7.41,4.92,;-6.56,1.89,;-2.95,.1,;-1.62,.87,;-.28,.1,;-.28,-1.44,;-1.62,-2.21,;-2.95,-1.44,;1.05,-2.21,;2.39,-1.44,;2.39,.1,;3.72,-2.21,;5.05,-1.44,)|

CN(C)C\C=C\C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

Nc1ncnc2n(C[C@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

CC#CC(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CC#CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CC#CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CN(C)C\C=C\C(=O)N[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,wD:9.8,(5.67,1.62,;4.9,.28,;5.67,-1.05,;3.36,.28,;2.59,-1.05,;1.05,-1.05,;.28,-2.39,;1.05,-3.72,;-1.26,-2.39,;-2.03,-1.05,;-1.26,.28,;-2.03,1.62,;-3.57,1.62,;-4.34,.28,;-3.57,-1.05,;-4.34,2.95,;-3.79,4.39,;-4.98,5.36,;-4.98,6.9,;-3.65,7.67,;-3.65,9.21,;-4.98,9.98,;-4.98,11.52,;-3.65,12.29,;-2.32,11.52,;-.98,12.29,;-.98,13.83,;-2.32,14.6,;-3.65,13.83,;-6.32,9.21,;-6.32,7.67,;-6.27,4.52,;-7.76,4.92,;-8.16,6.4,;-8.85,3.83,;-8.45,2.34,;-6.97,1.94,;-5.88,3.03,)|

CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)C=C

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)\C=C\CN1CCOCC1

Nc1ncnc2n(C[C@@H]3CCCN3C(=O)\C=C\CN3CCOCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:9.12,6.5,(4.06,2.48,;3.67,1,;3.27,-.49,;2.87,-1.98,;3.96,-3.07,;1.38,-2.38,;.29,-1.29,;-1.2,-1.69,;-2.28,-.6,;-1.89,.89,;-.4,1.29,;.69,.2,;-2.98,1.98,;-2.42,3.42,;-3.62,4.39,;-3.62,5.93,;-2.29,6.7,;-2.29,8.24,;-3.62,9.01,;-3.62,10.55,;-2.29,11.32,;-.95,10.55,;.38,11.32,;.38,12.86,;-.95,13.63,;-2.29,12.86,;-4.95,8.24,;-4.95,6.7,;-4.91,3.55,;-6.4,3.95,;-6.8,5.43,;-7.49,2.86,;-7.09,1.37,;-5.6,.97,;-4.51,2.06,)|

Nc1ncnc2n(CCNC(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCOCC1 |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)\C=C\CN1CCOCC1 |r,wU:23.26,26.33,(-9.32,6.4,;-8.92,4.92,;-10.01,3.83,;-9.61,2.34,;-8.12,1.94,;-7.03,3.03,;-5.49,2.95,;-4.94,4.39,;-6.14,5.36,;-6.14,6.9,;-4.8,7.67,;-4.8,9.21,;-6.14,9.98,;-6.14,11.52,;-4.8,12.29,;-3.47,11.52,;-2.14,12.29,;-2.14,13.83,;-3.47,14.6,;-4.8,13.83,;-7.47,9.21,;-7.47,7.67,;-7.43,4.52,;-4.72,1.62,;-5.49,.28,;-4.72,-1.05,;-3.18,-1.05,;-2.41,.28,;-3.18,1.62,;-2.41,-2.39,;-.87,-2.39,;-.1,-3.72,;-.1,-1.05,;1.44,-1.05,;2.21,.28,;3.75,.28,;4.52,1.62,;6.06,1.62,;6.83,.28,;6.06,-1.05,;4.52,-1.05,)|

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

C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc4ccccc4[nH]3)c2n1

Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2(CC2)C#C)c1

CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1

Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1

CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1

FCC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1

CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1

CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1

Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)CF)c1

COc1c(F)cccc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

CCN(CC)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

CCOC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(C)c2c1

CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1

CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1

CN(C)\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1

CN(C)\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]nc(C)c2c1

Cc1n[nH]c2ncc(cc12)-c1ccc(Cl)c(NC(=O)C=C)c1

CC\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1

C=CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1

Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)n1

Fc1ccc(cc1NC(=O)C=C)-c1cnc2[nH]ccc2c1

Fc1ccc(cc1NC(=O)C=C)-c1cnc2[nH]cc(Cl)c2c1

C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc4ccccc4[nH]3)c2c1

Cc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

O=C(Nc1cccc(n1)-c1cnc2[nH]ccc2c1)C#C

CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1

Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1

CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(Cl)c2c1

CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1

CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(Cl)c2c1

Fc1ccc(cc1NC(=O)C#C)-c1cnc2[nH]ccc2c1

Fc1ccc(cc1NC(=O)C#C)-c1cnc2[nH]cc(Cl)c2c1

CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1

CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(Cl)c2c1

CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1

CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(Cl)c2c1

Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1

CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(C)c2c1

CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(C)c2c1

Cc1c[nH]c2ncc(cc12)-c1ccc(F)c(NC(=O)C#C)c1

COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F

COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN(C)C)c1

COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1

CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(C)c3F)c2c1

Cc1cccc(-c2c[nH]c3ncc(cc23)-c2cccc(NC(=O)C=C)c2)c1F

C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1

CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1

CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1

Cc1nc(C2CCCCC2)c2c3cc[nH]c3ncn12

C1CCC(CC1)c1ncn2cnc3[nH]ccc3c12

O=C(OCc1ccccc1)N1CCCC(C1)c1ncn2cnc3[nH]ccc3c12

O=C(CC#N)N1CCCC(C1)c1ncn2cnc3[nH]ccc3c12

Cc1ccccc1-c1nnn2cnc3[nH]ccc3c12

C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

CC1CCCCC1c1nnn2cnc3[nH]ccc3c12

S=c1[nH]c(C2CCCCC2)c2c3cc[nH]c3ncn12

O=c1[nH]c(C2CCCCC2)c2c3cc[nH]c3ncn12

OC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

CC1CCN(CC1c1nnn2cnc3[nH]ccc3c12)C(=O)OC(C)(C)C

CC1CCN(CC1c1nnn2cnc3[nH]ccc3c12)C(=O)CC#N

CC(C)(C)OC(=O)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12

O=C(OCc1ccccc1)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12

C1CNCC(C1)c1nnn2cnc3[nH]ccc3c12

C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1

FC(F)(F)CC(=O)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12

C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1cccnc1

C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1cncs1

O=C(Nc1nncs1)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12

Cc1cc(NC(=O)N2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)sn1

N#Cc1ccc(CN2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)cc1

FC(F)(F)c1ccc(CN2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)cc1

CC(C)(C)OC(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

FC(F)(F)CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

O=C(OCc1ccccc1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

C1CC(CCN1)c1nnn2cnc3[nH]ccc3c12

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cccnc1

FC(F)(F)CC(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

O=C(Nc1nncs1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

Cc1cc(NC(=O)N2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)sn1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1

FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

N#Cc1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1

Cc1noc(C)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

FC(F)(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

FC(F)(F)Sc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

FC(F)(F)c1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1

Fc1cc(ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N

Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

FC(F)(F)c1ccc(CCN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cncs1

C(CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1

COc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1F

FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc(c1)C(F)(F)F

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1nccs1

Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1

C(C1CCCCC1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

C1CCC(C1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1

Fc1cc(cc(F)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N

Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

Fc1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1

FC(F)(F)C1CCC(CC1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(3.75,6.85,;4.15,5.36,;5.24,6.45,;5.63,4.96,;3.06,4.27,;3.46,2.78,;2.37,1.7,;.88,2.09,;.48,3.58,;1.57,4.67,;-.21,1.01,;.19,-.48,;-.9,-1.57,;-2.39,-1.17,;-2.79,.31,;-1.7,1.4,;-3.48,-2.26,;-5.01,-2.1,;-5.63,-3.51,;-4.49,-4.54,;-4.49,-6.08,;-3.16,-6.85,;-1.82,-6.08,;-.36,-6.55,;.55,-5.31,;-.36,-4.06,;-1.82,-4.54,;-3.16,-3.77,)|

FC(F)(F)C1CCC(CC1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(5.63,4.96,;4.15,5.36,;5.24,6.45,;3.75,6.85,;3.06,4.27,;3.46,2.78,;2.37,1.7,;.88,2.09,;.48,3.58,;1.57,4.67,;-.21,1.01,;.19,-.48,;-.9,-1.57,;-2.39,-1.17,;-2.79,.31,;-1.7,1.4,;-3.48,-2.26,;-5.01,-2.1,;-5.63,-3.51,;-4.49,-4.54,;-4.49,-6.08,;-3.16,-6.85,;-1.82,-6.08,;-.36,-6.55,;.55,-5.31,;-.36,-4.06,;-1.82,-4.54,;-3.16,-3.77,)|

FC(F)(F)c1cccc(NC(=O)N2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1

FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(5.63,5.16,;4.55,4.07,;4.94,2.58,;6.03,3.67,;3.06,4.47,;1.97,3.38,;2.37,1.89,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|

O=C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)OCc1ccccc1 |r,wU:6.9,wD:3.2,(1.97,2.24,;1.57,3.73,;.08,4.13,;-1.01,3.04,;-2.49,3.44,;-3.58,2.35,;-3.18,.86,;-1.7,.46,;-.61,1.55,;-4.27,-.23,;-5.8,-.07,;-6.43,-1.48,;-5.29,-2.51,;-5.29,-4.05,;-3.95,-4.82,;-2.62,-4.05,;-1.15,-4.52,;-.25,-3.28,;-1.15,-2.03,;-2.62,-2.51,;-3.95,-1.74,;2.66,4.82,;4.15,4.42,;4.55,2.93,;3.46,1.84,;3.85,.35,;5.34,-.04,;6.43,1.04,;6.03,2.53,)|

N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,wD:1.0,(3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-.01,1.2,;1.48,.81,;2.57,1.89,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|

COC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.55,4.82,;3.46,3.73,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|

CO[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

FC1(F)CCC(CC1)c1nnn2cnc3[nH]ccc3c12

C1CC2CC1CC2c1nnn2cnc3[nH]ccc3c12

C1CCCC(CC1)c1nnn2cnc3[nH]ccc3c12

C1CC(C1)c1nnn2cnc3[nH]ccc3c12

FC(F)(F)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(4,3.33,;2.51,3.73,;2.11,5.21,;3.6,4.82,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|

CC(=O)SC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

CC(=O)OC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

FC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

BrC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

ClC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

SC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

CS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(4.42,4.82,;3.33,3.73,;3.33,2.19,;4.67,2.96,;1.85,4.13,;.76,3.04,;-.73,3.44,;-1.82,2.35,;-1.42,.86,;.07,.46,;1.16,1.55,;-2.51,-.23,;-4.04,-.07,;-4.67,-1.48,;-3.52,-2.51,;-3.52,-4.05,;-2.19,-4.82,;-.86,-4.05,;.61,-4.52,;1.51,-3.28,;.61,-2.03,;-.86,-2.51,;-2.19,-1.74,)|

O=C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

FC(F)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|

O[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,wD:1.0,(3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-.01,1.2,;1.48,.81,;2.57,1.89,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|

O=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

O[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,1.0,(3.26,4.47,;2.17,3.38,;2.57,1.89,;1.48,.81,;-.01,1.2,;-.41,2.69,;.68,3.78,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|

O=C(OCc1ccccc1)N1CCC(CC1)c1ncn2cnc3[nH]ccc3c12

O=C(OCc1ccccc1)N1CCC(CC1)c1[nH]c(=S)n2cnc3[nH]ccc3c12

FC(F)(F)c1ccc(CN2CCC(CC2)c2[nH]c(=S)n3cnc4[nH]ccc4c23)cc1

O=S1(=O)CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.23,3.33,;4.74,2.93,;5.83,1.84,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|

N#CC1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|

N#CCCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(6.38,5.71,;5.29,4.62,;4.2,3.53,;2.71,3.93,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|

C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCOCC1 |r,wU:4.7,wD:1.0,(1.03,4.13,;-.06,3.04,;-1.55,3.44,;-2.64,2.35,;-2.24,.86,;-.75,.46,;.34,1.55,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,;2.51,3.73,;2.91,2.24,;4.4,1.84,;5.49,2.93,;5.09,4.42,;3.6,4.82,)|

N#Cc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(6.72,6.99,;5.63,5.91,;4.55,4.82,;4.94,3.33,;3.85,2.24,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;1.97,4.13,;3.06,5.21,)|

N#Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(8.26,2.48,;6.78,2.88,;5.29,3.28,;4.89,4.76,;3.4,5.16,;2.31,4.07,;.83,4.47,;-.26,3.38,;-1.75,3.78,;-2.84,2.69,;-4.33,3.09,;-5.42,2,;-5.02,.51,;-3.53,.12,;-2.44,1.2,;-6.11,-.58,;-7.64,-.41,;-8.26,-1.82,;-7.12,-2.85,;-7.12,-4.39,;-5.79,-5.16,;-4.45,-4.39,;-2.99,-4.87,;-2.08,-3.62,;-2.99,-2.38,;-4.45,-2.85,;-5.79,-2.08,;2.71,2.58,;4.2,2.19,)|

F[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,1.0,wD:6.5,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|

F[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,1.0,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|

CC1(C)CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(5.8,3.72,;4.31,3.32,;5.4,2.23,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|

FC1(F)CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.23,3.33,;4.74,2.93,;5.83,1.84,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|

FC(F)(F)c1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(8.26,2.48,;6.78,2.88,;7.17,1.39,;7.87,3.97,;5.29,3.28,;4.89,4.76,;3.4,5.16,;2.31,4.07,;.83,4.47,;-.26,3.38,;-1.75,3.78,;-2.84,2.69,;-4.33,3.09,;-5.42,2,;-5.02,.51,;-3.53,.12,;-2.44,1.2,;-6.11,-.58,;-7.64,-.41,;-8.26,-1.82,;-7.12,-2.85,;-7.12,-4.39,;-5.79,-5.16,;-4.45,-4.39,;-2.99,-4.87,;-2.08,-3.62,;-2.99,-2.38,;-4.45,-2.85,;-5.79,-2.08,;2.71,2.58,;4.2,2.19,)|

FC(F)(F)c1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(6.92,5.31,;5.43,5.71,;5.04,7.19,;6.52,6.79,;4.35,4.62,;2.86,5.02,;1.77,3.93,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-2.98,1.06,;-4.07,-.03,;-3.68,-1.52,;-2.19,-1.92,;-1.1,-.83,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;3.66,2.04,;4.74,3.13,)|

Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;3.6,5.76,;2.51,4.67,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;4.4,2.78,;5.49,3.87,)|

Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|

CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)cc1 |r,wU:6.9,wD:3.2,(2.22,.61,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.91,3.18,;2.51,4.67,;3.6,5.76,;5.09,5.36,;6.18,6.45,;5.49,3.87,;4.4,2.78,)|

Cc1cc(ccc1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C#N |r,wU:12.16,wD:9.9,(.48,4.52,;1.97,4.13,;3.06,5.21,;4.55,4.82,;4.94,3.33,;3.85,2.24,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;5.63,5.91,;6.72,6.99,)|

Cc1cc(OC(F)(F)F)ccc1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:17.21,wD:14.14,(-.46,4.72,;1.03,4.33,;2.11,5.41,;3.6,5.02,;4.69,6.1,;6.18,5.71,;7.67,5.31,;6.58,4.22,;7.27,6.79,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,)|

FC(F)(F)c1cc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N |r,wU:12.15,wD:9.8,(3.75,7.19,;2.66,6.1,;1.17,6.5,;2.26,7.59,;3.06,4.62,;1.97,3.53,;2.37,2.04,;1.28,.95,;-.21,1.35,;-1.3,.26,;-2.79,.66,;-3.87,-.43,;-3.48,-1.92,;-1.99,-2.32,;-.9,-1.23,;-4.57,-3.01,;-6.1,-2.84,;-6.72,-4.25,;-5.58,-5.28,;-5.58,-6.82,;-4.24,-7.59,;-2.91,-6.82,;-1.45,-7.3,;-.54,-6.05,;-1.45,-4.81,;-2.91,-5.28,;-4.24,-4.51,;3.85,1.64,;4.94,2.73,;4.55,4.22,;5.63,5.31,;6.72,6.4,)|

Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)s1 |r,wU:11.14,wD:8.7,(7.2,4.93,;5.87,4.16,;5.39,2.7,;3.85,2.7,;3.38,4.16,;1.89,4.56,;.8,3.47,;-.69,3.87,;-1.78,2.78,;-3.26,3.18,;-4.35,2.09,;-3.95,.61,;-2.47,.21,;-1.38,1.3,;-5.04,-.48,;-6.58,-.32,;-7.2,-1.73,;-6.06,-2.76,;-6.06,-4.3,;-4.72,-5.07,;-3.39,-4.3,;-1.93,-4.78,;-1.02,-3.53,;-1.93,-2.28,;-3.39,-2.76,;-4.72,-1.99,;4.62,5.07,)|

FCCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|

CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)C#N |r,wU:6.9,wD:3.2,(1.68,.06,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;2.37,2.64,;1.97,4.13,;3.06,5.21,;4.55,4.82,;4.94,3.33,;3.85,2.24,;5.63,5.91,;6.72,6.99,)|

CC(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)c(F)c1 |r,wU:7.10,wD:4.3,(1.17,5.56,;1.57,4.07,;.48,2.98,;-1.01,3.38,;-2.1,2.29,;-3.58,2.69,;-4.67,1.6,;-4.27,.12,;-2.79,-.28,;-1.7,.81,;-5.36,-.97,;-6.89,-.81,;-7.52,-2.22,;-6.38,-3.25,;-6.38,-4.79,;-5.04,-5.56,;-3.71,-4.79,;-2.24,-5.27,;-1.34,-4.02,;-2.24,-2.77,;-3.71,-3.25,;-5.04,-2.48,;3.06,3.67,;4.15,4.76,;5.63,4.36,;6.03,2.88,;7.52,2.48,;4.94,1.79,;5.34,.3,;3.46,2.19,)|

FC(F)(F)Oc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:15.18,wD:12.11,(5.89,.3,;6.98,1.39,;8.46,.99,;7.37,-.1,;6.58,2.88,;5.09,3.28,;4.69,4.76,;3.2,5.16,;2.11,4.07,;.63,4.47,;-.46,3.38,;-1.95,3.78,;-3.04,2.69,;-4.53,3.09,;-5.61,2,;-5.22,.51,;-3.73,.12,;-2.64,1.2,;-6.31,-.58,;-7.84,-.41,;-8.46,-1.82,;-7.32,-2.85,;-7.32,-4.39,;-5.99,-5.16,;-4.65,-4.39,;-3.19,-4.87,;-2.28,-3.62,;-3.19,-2.38,;-4.65,-2.85,;-5.99,-2.08,;2.51,2.58,;4,2.19,)|

Fc1ccc(CCNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|

Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;5.63,4.76,;4.15,5.16,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;3.46,2.58,;4.94,2.19,;5.34,.7,;6.83,.3,;4.25,-.39,;5.74,-.79,)|

CS(=O)(=O)c1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(8.06,3.97,;6.98,2.88,;6.58,1.39,;8.06,1.79,;5.49,3.28,;5.09,4.76,;3.6,5.16,;2.51,4.07,;1.03,4.47,;-.06,3.38,;-1.55,3.78,;-2.64,2.69,;-4.13,3.09,;-5.22,2,;-4.82,.51,;-3.33,.12,;-2.24,1.2,;-5.91,-.58,;-7.44,-.41,;-8.06,-1.82,;-6.92,-2.85,;-6.92,-4.39,;-5.59,-5.16,;-4.25,-4.39,;-2.79,-4.87,;-1.88,-3.62,;-2.79,-2.38,;-4.25,-2.85,;-5.59,-2.08,;2.91,2.58,;4.4,2.19,)|

FC(F)(F)Oc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(6.58,4.22,;6.18,5.71,;7.27,6.79,;7.67,5.31,;4.69,6.1,;3.6,5.02,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,;1.03,4.33,;2.11,5.41,)|

FC(F)(F)Oc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)c1 |r,wU:14.17,wD:11.10,(6.58,4.22,;6.18,5.71,;7.67,5.31,;7.27,6.79,;4.69,6.1,;3.6,5.02,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,;1.03,4.33,;-.46,4.72,;2.11,5.41,)|

Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(c1)C#N |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,;1.03,5.07,;-.46,5.47,)|

Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(c1)C(F)(F)F |r,wU:10.13,wD:7.6,(6.18,6.4,;5.09,5.31,;5.49,3.82,;4.4,2.73,;2.91,3.13,;1.82,2.04,;.34,2.44,;-.75,1.35,;-2.24,1.75,;-3.33,.66,;-2.93,-.83,;-1.44,-1.23,;-.36,-.14,;-4.02,-1.92,;-5.55,-1.76,;-6.18,-3.16,;-5.03,-4.19,;-5.03,-5.73,;-3.7,-6.5,;-2.37,-5.73,;-.9,-6.21,;0,-4.96,;-.9,-3.72,;-2.37,-4.19,;-3.7,-3.42,;2.51,4.62,;3.6,5.71,;1.03,5.02,;.63,6.5,;-.06,3.93,;-.46,5.41,)|

C(Nc1ccc(cc1)N1CCOCC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:17.22,wD:14.15,(-.95,1.2,;.53,.81,;1.62,1.89,;3.11,1.5,;4.2,2.58,;3.8,4.07,;2.31,4.47,;1.22,3.38,;4.89,5.16,;6.38,4.76,;7.47,5.85,;7.07,7.34,;5.58,7.74,;4.49,6.65,;-2.04,.12,;-3.53,.51,;-4.62,-.58,;-4.22,-2.06,;-2.73,-2.46,;-1.64,-1.37,;-5.31,-3.15,;-6.84,-2.99,;-7.47,-4.4,;-6.32,-5.43,;-6.32,-6.97,;-4.99,-7.74,;-3.65,-6.97,;-2.19,-7.44,;-1.29,-6.2,;-2.19,-4.95,;-3.65,-5.43,;-4.99,-4.66,)|

O[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,1.0,wD:6.5,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|

C(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)[C@@H]1CCCO1 |r,wU:6.9,21.24,wD:3.2,(2.56,4.56,;1.47,3.47,;-.02,3.87,;-1.11,2.78,;-2.6,3.18,;-3.69,2.09,;-3.29,.61,;-1.8,.21,;-.71,1.3,;-4.38,-.48,;-5.91,-.32,;-6.53,-1.73,;-5.39,-2.76,;-5.39,-4.3,;-4.06,-5.07,;-2.72,-4.3,;-1.26,-4.78,;-.35,-3.53,;-1.26,-2.28,;-2.72,-2.76,;-4.06,-1.99,;4.04,4.16,;4.52,2.7,;6.06,2.7,;6.53,4.16,;5.29,5.07,)|

N#Cc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-1.15,1.55,;-2.24,.46,;-3.73,.86,;-4.13,2.35,;-3.04,3.44,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|

C(Cc1ccncc1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|

C(Cc1ccccc1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|

C1CN(CCO1)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.55,3.87,;3.46,2.78,;1.97,3.18,;1.57,4.67,;2.66,5.76,;4.15,5.36,;.88,2.09,;1.28,.61,;.19,-.48,;-1.3,-.08,;-1.7,1.4,;-.61,2.49,;-2.39,-1.17,;-3.92,-1.01,;-4.55,-2.42,;-3.4,-3.45,;-3.4,-4.99,;-2.07,-5.76,;-.73,-4.99,;.73,-5.47,;1.64,-4.22,;.73,-2.97,;-.73,-3.45,;-2.07,-2.68,)|

FC(F)(F)c1cccc(CCNC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1 |(7.17,.3,;5.69,.7,;4.6,-.39,;6.09,-.79,;5.29,2.19,;6.38,3.28,;5.98,4.76,;4.49,5.16,;3.4,4.07,;1.92,4.47,;.83,3.38,;-.66,3.78,;-1.75,2.69,;-1.35,1.2,;-2.44,.12,;-3.93,.51,;-4.33,2,;-3.24,3.09,;-5.02,-.58,;-6.55,-.41,;-7.17,-1.82,;-6.03,-2.85,;-6.03,-4.39,;-4.7,-5.16,;-3.36,-4.39,;-1.9,-4.87,;-.99,-3.62,;-1.9,-2.38,;-3.36,-2.85,;-4.7,-2.08,;3.8,2.58,)|

C(CN1CCOCC1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|

N#CC1CCN(CC1)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(5.43,6.65,;4.35,5.56,;3.26,4.47,;3.66,2.98,;2.57,1.89,;1.08,2.29,;.68,3.78,;1.77,4.87,;-.01,1.2,;.39,-.28,;-.7,-1.37,;-2.19,-.97,;-2.59,.51,;-1.5,1.6,;-3.28,-2.06,;-4.81,-1.9,;-5.43,-3.31,;-4.29,-4.34,;-4.29,-5.88,;-2.96,-6.65,;-1.62,-5.88,;-.16,-6.35,;.75,-5.11,;-.16,-3.86,;-1.62,-4.34,;-2.96,-3.57,)|

FC(F)(F)c1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(5.89,1.04,;5.49,2.53,;6.58,3.62,;6.98,2.13,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-1.15,1.55,;-2.24,.46,;-3.73,.86,;-4.13,2.35,;-3.04,3.44,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|

Fc1cc(ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N |(1.72,5.56,;2.11,4.07,;3.6,3.67,;4,2.19,;2.91,1.1,;1.42,1.5,;1.03,2.98,;-.46,3.38,;-1.55,2.29,;-1.15,.81,;-2.24,-.28,;-3.73,.12,;-4.13,1.6,;-3.04,2.69,;-4.82,-.97,;-6.35,-.81,;-6.98,-2.22,;-5.83,-3.25,;-5.83,-4.79,;-4.5,-5.56,;-3.16,-4.79,;-1.7,-5.27,;-.79,-4.02,;-1.7,-2.77,;-3.16,-3.25,;-4.5,-2.48,;5.49,1.79,;6.98,1.39,)|

CN(C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)cc1 |(-.12,5.21,;.28,3.73,;-.81,2.64,;-.41,1.15,;-1.5,.06,;-2.98,.46,;-3.38,1.95,;-2.29,3.04,;-4.07,-.63,;-5.61,-.47,;-6.23,-1.87,;-5.09,-2.9,;-5.09,-4.44,;-3.75,-5.21,;-2.42,-4.44,;-.96,-4.92,;-.05,-3.67,;-.96,-2.43,;-2.42,-2.9,;-3.75,-2.13,;1.77,3.33,;2.17,1.84,;3.66,1.44,;4.74,2.53,;6.23,2.13,;4.35,4.02,;2.86,4.42,)|

Fc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|

Cc1cc(ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N |(1.72,5.56,;2.11,4.07,;3.6,3.67,;4,2.19,;2.91,1.1,;1.42,1.5,;1.03,2.98,;-.46,3.38,;-1.55,2.29,;-1.15,.81,;-2.24,-.28,;-3.73,.12,;-4.13,1.6,;-3.04,2.69,;-4.82,-.97,;-6.35,-.81,;-6.98,-2.22,;-5.83,-3.25,;-5.83,-4.79,;-4.5,-5.56,;-3.16,-4.79,;-1.7,-5.27,;-.79,-4.02,;-1.7,-2.77,;-3.16,-3.25,;-4.5,-2.48,;5.49,1.79,;6.98,1.39,)|

Cc1cc(OC(F)(F)F)ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.17,5.56,;1.57,4.07,;3.06,3.67,;3.46,2.19,;4.94,1.79,;6.03,2.88,;5.63,4.36,;7.52,2.48,;7.12,3.97,;2.37,1.1,;.88,1.5,;.48,2.98,;-1.01,3.38,;-2.1,2.29,;-1.7,.81,;-2.79,-.28,;-4.27,.12,;-4.67,1.6,;-3.58,2.69,;-5.36,-.97,;-6.89,-.81,;-7.52,-2.22,;-6.38,-3.25,;-6.38,-4.79,;-5.04,-5.56,;-3.71,-4.79,;-2.24,-5.27,;-1.34,-4.02,;-2.24,-2.77,;-3.71,-3.25,;-5.04,-2.48,)|

N#Cc1ccc(N[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-1.15,1.55,;-2.24,.46,;-3.73,.86,;-4.13,2.35,;-3.04,3.44,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|

N#Cc1ccc(N[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|

C(Cc1ccccc1)N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,9.9,(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|

C(Cc1ccccc1)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|

C(CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1 |r,wU:6.9,3.2,(1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-1.3,-.08,;-2.39,-1.17,;-3.87,-.77,;-4.27,.71,;-3.18,1.8,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;3.46,2.78,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|

C(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1 |r,wU:6.9,wD:3.2,(1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;3.46,2.78,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|

N#Cc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,8.7,(6.72,6.99,;5.63,5.91,;4.55,4.82,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-.9,-.63,;-1.99,-1.72,;-3.48,-1.32,;-3.87,.17,;-2.79,1.26,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,)|

N#Cc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(6.72,6.99,;5.63,5.91,;4.55,4.82,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,)|

FC(F)(F)c1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,10.9,(5.04,7.19,;5.43,5.71,;6.92,5.31,;6.52,6.79,;4.35,4.62,;4.74,3.13,;3.66,2.04,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-1.1,-.83,;-2.19,-1.92,;-3.68,-1.52,;-4.07,-.03,;-2.98,1.06,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;1.77,3.93,;2.86,5.02,)|

FC(F)(F)c1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(6.52,6.79,;5.43,5.71,;5.04,7.19,;6.92,5.31,;4.35,4.62,;2.86,5.02,;1.77,3.93,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-2.98,1.06,;-4.07,-.03,;-3.68,-1.52,;-2.19,-1.92,;-1.1,-.83,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;3.66,2.04,;4.74,3.13,)|

C1CN(CCO1)N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,7.7,(4.4,1.84,;2.91,2.24,;2.51,3.73,;3.6,4.82,;5.09,4.42,;5.49,2.93,;1.03,4.13,;-.06,3.04,;.34,1.55,;-.75,.46,;-2.24,.86,;-2.64,2.35,;-1.55,3.44,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,)|

C1CN(CCO1)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(4.4,1.84,;2.91,2.24,;2.51,3.73,;3.6,4.82,;5.09,4.42,;5.49,2.93,;1.03,4.13,;-.06,3.04,;-1.55,3.44,;-2.64,2.35,;-2.24,.86,;-.75,.46,;.34,1.55,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,)|

OCc1ccc(cc1)-c1nnn2cnc3[nH]ccc3c12

Fc1ccccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1

N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1

Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccco1

Ic1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cccs1

Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1

Clc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccn[nH]1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1csnn1

Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1

Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F

FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1Cl

CS(=O)(=O)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

Fc1cc(ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F

Fc1cc(Cl)ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1Cl

Clc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccn1

Fc1cnccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)nc1

Clc1cnccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(F)c1

Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)c1

Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1F

Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C(F)(F)F

OCCOc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

FC(F)C(F)(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

COc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1

CC(C)(C)OC(=O)NCCN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:8.11,wD:5.4,(3.06,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;4.79,2.01,;4.79,.47,;6.12,2.78,;6.12,1.24,)|

FC(F)(F)S(=O)(=O)c1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:16.19,wD:13.12,(6.58,3.82,;6.18,5.31,;7.27,6.4,;7.67,4.91,;4.69,5.71,;3.6,6.79,;5.09,7.19,;3.6,4.62,;4,3.13,;2.91,2.04,;1.42,2.44,;.34,1.35,;-1.15,1.75,;-2.24,.66,;-3.73,1.06,;-4.82,-.03,;-4.42,-1.52,;-2.93,-1.92,;-1.84,-.83,;-5.51,-2.61,;-7.04,-2.45,;-7.67,-3.85,;-6.52,-4.88,;-6.52,-6.42,;-5.19,-7.19,;-3.85,-6.42,;-2.39,-6.9,;-1.48,-5.65,;-2.39,-4.41,;-3.85,-4.88,;-5.19,-4.11,;1.03,3.93,;2.11,5.02,)|

C(Cc1ccccc1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,(1.97,3.18,;3.46,2.78,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,)|

FC(F)(F)c1nc2cc(NC[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)ccc2[nH]1 |r,wU:14.17,wD:11.10,(7.91,4.33,;6.82,5.42,;7.22,6.9,;8.31,5.81,;5.33,5.02,;4.86,3.55,;3.32,3.55,;2.29,2.41,;.78,2.73,;-.31,1.64,;-1.8,2.04,;-2.88,.95,;-4.37,1.35,;-5.46,.26,;-5.06,-1.23,;-3.57,-1.63,;-2.49,-.54,;-6.15,-2.32,;-7.68,-2.16,;-8.31,-3.56,;-7.16,-4.59,;-7.16,-6.13,;-5.83,-6.9,;-4.5,-6.13,;-3.03,-6.61,;-2.13,-5.36,;-3.03,-4.12,;-4.5,-4.59,;-5.83,-3.82,;.31,4.19,;1.34,5.34,;2.84,5.02,;4.09,5.92,)|

Clc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|

Clc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|

Clc1ccc(CCNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|

Fc1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:10.13,wD:7.6,(6.57,5.94,;5.24,5.17,;3.91,5.94,;2.57,5.17,;2.57,3.63,;1.43,2.6,;-.06,3,;-1.15,1.91,;-2.64,2.31,;-3.73,1.22,;-3.33,-.27,;-1.84,-.67,;-.75,.42,;-4.42,-1.36,;-5.95,-1.19,;-6.57,-2.6,;-5.43,-3.63,;-5.43,-5.17,;-4.1,-5.94,;-2.76,-5.17,;-1.3,-5.65,;-.39,-4.4,;-1.3,-3.16,;-2.76,-3.63,;-4.1,-2.86,;2.05,1.19,;3.59,1.36,;3.91,2.86,;5.24,3.63,)|

N#CCCN(CCC#N)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.38,5.71,;5.29,4.62,;4.2,3.53,;2.71,3.93,;1.62,2.84,;2.02,1.35,;3.51,.95,;3.91,-.54,;4.31,-2.02,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|

CN(C)[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:11.14,3.2,wD:8.7,(5.84,5.21,;5.45,3.73,;6.53,2.64,;3.96,3.33,;3.48,1.86,;1.94,1.86,;1.47,3.33,;-.02,3.73,;-1.11,2.64,;-2.6,3.04,;-3.69,1.95,;-3.29,.46,;-1.8,.06,;-.71,1.15,;-4.38,-.63,;-5.91,-.47,;-6.53,-1.87,;-5.39,-2.9,;-5.39,-4.44,;-4.06,-5.21,;-2.72,-4.44,;-1.26,-4.92,;-.35,-3.67,;-1.26,-2.43,;-2.72,-2.9,;-4.06,-2.13,;2.71,4.23,)|

Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)o1 |r,wU:11.14,wD:8.7,(7.2,4.93,;5.87,4.16,;5.39,2.7,;3.85,2.7,;3.38,4.16,;1.89,4.56,;.8,3.47,;-.69,3.87,;-1.78,2.78,;-3.26,3.18,;-4.35,2.09,;-3.95,.61,;-2.47,.21,;-1.38,1.3,;-5.04,-.48,;-6.58,-.32,;-7.2,-1.73,;-6.06,-2.76,;-6.06,-4.3,;-4.72,-5.07,;-3.39,-4.3,;-1.93,-4.78,;-1.02,-3.53,;-1.93,-2.28,;-3.39,-2.76,;-4.72,-1.99,;4.62,5.07,)|

Cc1cnc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cn1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;5.63,4.76,;4.15,5.16,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;3.46,2.58,;4.94,2.19,)|

C[C@H](O)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,1.1,wD:6.5,(5.14,2.58,;4.74,4.07,;5.83,5.16,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|

C[C@@H](O)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,1.1,(5.14,2.58,;4.74,4.07,;5.83,5.16,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|

OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:8.11,wD:5.4,(3.85,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|

N#C[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,2.1,wD:7.6,(6.73,4.62,;5.25,4.22,;3.76,3.82,;3.28,2.35,;1.74,2.35,;1.27,3.82,;-.22,4.22,;-1.31,3.13,;-2.8,3.53,;-3.89,2.44,;-3.49,.95,;-2,.55,;-.91,1.64,;-4.58,-.14,;-6.11,.02,;-6.73,-1.38,;-5.59,-2.41,;-5.59,-3.95,;-4.26,-4.72,;-2.92,-3.95,;-1.46,-4.43,;-.55,-3.18,;-1.46,-1.94,;-2.92,-2.41,;-4.26,-1.64,;2.51,4.72,)|

FC(F)(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|

CS(=O)(=O)c1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:13.16,wD:10.9,(7.24,4.51,;5.91,5.28,;5.14,6.61,;6.68,6.61,;4.57,4.51,;3.24,5.28,;1.91,4.51,;1.91,2.97,;.76,1.93,;-.73,2.33,;-1.82,1.24,;-3.3,1.64,;-4.39,.55,;-3.99,-.93,;-2.51,-1.33,;-1.42,-.24,;-5.08,-2.02,;-6.61,-1.86,;-7.24,-3.27,;-6.1,-4.3,;-6.1,-5.84,;-4.76,-6.61,;-3.43,-5.84,;-1.96,-6.31,;-1.06,-5.07,;-1.96,-3.82,;-3.43,-4.3,;-4.76,-3.53,;1.39,.53,;2.92,.69,;3.24,2.2,;4.57,2.97,)|

CN(C)S(=O)(=O)c1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:15.18,wD:12.11,(6.57,2.97,;6.57,4.51,;7.91,5.28,;5.24,5.28,;4.47,6.61,;6.01,6.61,;3.91,4.51,;2.57,5.28,;1.24,4.51,;1.24,2.97,;.09,1.93,;-1.39,2.33,;-2.48,1.24,;-3.97,1.64,;-5.06,.55,;-4.66,-.93,;-3.17,-1.33,;-2.08,-.24,;-5.75,-2.02,;-7.28,-1.86,;-7.91,-3.27,;-6.76,-4.3,;-6.76,-5.84,;-5.43,-6.61,;-4.1,-5.84,;-2.63,-6.31,;-1.73,-5.07,;-2.63,-3.82,;-4.1,-4.3,;-5.43,-3.53,;.72,.53,;2.25,.69,;2.57,2.2,;3.91,2.97,)|

O=C1NCCN1CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,(3.02,6.21,;4.35,5.44,;5.6,6.35,;6.84,5.44,;6.37,3.98,;4.83,3.98,;3.74,2.89,;2.25,3.29,;1.16,2.2,;-.33,2.6,;-1.42,1.51,;-2.9,1.91,;-3.99,.82,;-3.59,-.67,;-2.11,-1.07,;-1.02,.02,;-4.68,-1.76,;-6.21,-1.6,;-6.84,-3.01,;-5.7,-4.04,;-5.7,-5.58,;-4.36,-6.35,;-3.03,-5.58,;-1.56,-6.05,;-.66,-4.81,;-1.56,-3.56,;-3.03,-4.04,;-4.36,-3.27,)|

C(Cc1c[nH]cn1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(2.25,3.29,;3.74,2.89,;4.83,3.98,;4.35,5.44,;5.6,6.35,;6.84,5.44,;6.37,3.98,;1.16,2.2,;-.33,2.6,;-1.42,1.51,;-2.9,1.91,;-3.99,.82,;-3.59,-.67,;-2.11,-1.07,;-1.02,.02,;-4.68,-1.76,;-6.21,-1.6,;-6.84,-3.01,;-5.7,-4.04,;-5.7,-5.58,;-4.36,-6.35,;-3.03,-5.58,;-1.56,-6.05,;-.66,-4.81,;-1.56,-3.56,;-3.03,-4.04,;-4.36,-3.27,)|

C(NCc1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(-.26,3.78,;1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|

C(N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:5.8,2.1,(2.17,2.44,;.68,2.84,;-.41,1.75,;-.01,.26,;-1.1,-.83,;-2.59,-.43,;-2.98,1.06,;-1.9,2.15,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,;3.26,3.53,;4.74,3.13,;5.83,4.22,;5.43,5.71,;3.95,6.1,;2.86,5.02,)|

C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:5.8,wD:2.1,(2.17,2.44,;.68,2.84,;-.41,1.75,;-1.9,2.15,;-2.98,1.06,;-2.59,-.43,;-1.1,-.83,;-.01,.26,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,;3.26,3.53,;4.74,3.13,;5.83,4.22,;5.43,5.71,;3.95,6.1,;2.86,5.02,)|

Fc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-.36,-.08,;-1.44,-1.17,;-2.93,-.77,;-3.33,.71,;-2.24,1.8,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|

Fc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|

OC(CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:7.10,4.3,(1.22,4.57,;2.31,3.48,;1.22,2.39,;-.26,2.79,;-1.35,1.7,;-.95,.22,;-2.04,-.87,;-3.53,-.47,;-3.93,1.01,;-2.84,2.1,;-4.62,-1.56,;-6.15,-1.4,;-6.78,-2.81,;-5.63,-3.84,;-5.63,-5.38,;-4.3,-6.15,;-2.96,-5.38,;-1.5,-5.86,;-.59,-4.61,;-1.5,-3.36,;-2.96,-3.84,;-4.3,-3.07,;3.8,3.08,;4.2,1.6,;5.69,1.2,;6.78,2.29,;6.38,3.77,;4.89,4.17,;3.08,4.82,;4.62,4.82,;2.31,6.15,;3.85,6.15,)|

OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:7.10,wD:4.3,(1.22,4.57,;2.31,3.48,;1.22,2.39,;-.26,2.79,;-1.35,1.7,;-2.84,2.1,;-3.93,1.01,;-3.53,-.47,;-2.04,-.87,;-.95,.22,;-4.62,-1.56,;-6.15,-1.4,;-6.78,-2.81,;-5.63,-3.84,;-5.63,-5.38,;-4.3,-6.15,;-2.96,-5.38,;-1.5,-5.86,;-.59,-4.61,;-1.5,-3.36,;-2.96,-3.84,;-4.3,-3.07,;3.8,3.08,;4.2,1.6,;5.69,1.2,;6.78,2.29,;6.38,3.77,;4.89,4.17,;3.08,4.82,;4.62,4.82,;3.85,6.15,;2.31,6.15,)|

Clc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-.36,-.08,;-1.44,-1.17,;-2.93,-.77,;-3.33,.71,;-2.24,1.8,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|

Clc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;3.6,5.76,;2.51,4.67,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;4.4,2.78,;5.49,3.87,)|

Clc1ccc(CCN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|

OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(Cl)cc1)C(F)(F)F |r,wU:7.10,wD:4.3,(.5,4.42,;1.59,3.33,;.5,2.24,;-.99,2.64,;-2.08,1.55,;-3.56,1.95,;-4.65,.86,;-4.26,-.63,;-2.77,-1.03,;-1.68,.06,;-5.34,-1.72,;-6.88,-1.56,;-7.5,-2.96,;-6.36,-3.99,;-6.36,-5.53,;-5.02,-6.3,;-3.69,-5.53,;-2.23,-6.01,;-1.32,-4.76,;-2.23,-3.52,;-3.69,-3.99,;-5.02,-3.22,;3.04,2.93,;3.44,1.44,;4.93,1.04,;6.01,2.13,;7.5,1.73,;5.62,3.62,;4.13,4.02,;1.99,4.82,;.9,5.91,;3.47,5.21,;2.39,6.3,)|

OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(F)cc1)C(F)(F)F |r,wU:7.10,wD:4.3,(.5,4.57,;1.59,3.48,;.5,2.39,;-.99,2.79,;-2.08,1.7,;-3.56,2.1,;-4.65,1.01,;-4.26,-.47,;-2.77,-.87,;-1.68,.22,;-5.34,-1.56,;-6.88,-1.4,;-7.5,-2.81,;-6.36,-3.84,;-6.36,-5.38,;-5.02,-6.15,;-3.69,-5.38,;-2.23,-5.86,;-1.32,-4.61,;-2.23,-3.36,;-3.69,-3.84,;-5.02,-3.07,;3.04,3.08,;3.44,1.6,;4.93,1.2,;6.01,2.29,;7.5,1.89,;5.62,3.77,;4.13,4.17,;2.36,4.82,;1.59,6.15,;3.9,4.82,;3.13,6.15,)|

Fc1ccc(CCN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|

OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,wD:4.3,(1.93,5.56,;2.33,4.07,;1.24,2.98,;-.24,3.38,;-1.33,2.29,;-2.82,2.69,;-3.91,1.6,;-3.51,.12,;-2.02,-.28,;-.94,.81,;-4.6,-.97,;-6.13,-.81,;-6.76,-2.22,;-5.61,-3.25,;-5.61,-4.79,;-4.28,-5.56,;-2.95,-4.79,;-1.48,-5.27,;-.58,-4.02,;-1.48,-2.77,;-2.95,-3.25,;-4.28,-2.48,;3.78,3.67,;4.18,2.19,;5.67,1.79,;6.76,2.88,;6.36,4.36,;4.87,4.76,)|

O[C@H](CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,1.0,wD:4.3,(1.93,5.56,;2.33,4.07,;1.24,2.98,;-.24,3.38,;-1.33,2.29,;-2.82,2.69,;-3.91,1.6,;-3.51,.12,;-2.02,-.28,;-.94,.81,;-4.6,-.97,;-6.13,-.81,;-6.76,-2.22,;-5.61,-3.25,;-5.61,-4.79,;-4.28,-5.56,;-2.95,-4.79,;-1.48,-5.27,;-.58,-4.02,;-1.48,-2.77,;-2.95,-3.25,;-4.28,-2.48,;3.78,3.67,;4.18,2.19,;5.67,1.79,;6.76,2.88,;6.36,4.36,;4.87,4.76,)|

O[C@@H](CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,wD:4.3,1.0,(1.92,5.56,;2.31,4.07,;1.22,2.98,;-.26,3.38,;-1.35,2.29,;-2.84,2.69,;-3.93,1.6,;-3.53,.12,;-2.04,-.28,;-.95,.81,;-4.62,-.97,;-6.15,-.81,;-6.78,-2.22,;-5.63,-3.25,;-5.63,-4.79,;-4.3,-5.56,;-2.96,-4.79,;-1.5,-5.27,;-.59,-4.02,;-1.5,-2.77,;-2.96,-3.25,;-4.3,-2.48,;3.8,3.67,;4.2,2.19,;5.69,1.79,;6.78,2.88,;6.38,4.36,;4.89,4.76,)|

Clc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|

Fc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.06,3.98,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|

Fc1ccc(CNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.52,2.82,;6.03,3.22,;4.94,2.13,;3.46,2.53,;3.06,4.02,;1.57,4.42,;.48,3.33,;-1.01,3.73,;-1.41,5.21,;-2.1,2.64,;-3.58,3.04,;-4.67,1.95,;-4.27,.46,;-2.79,.06,;-1.7,1.15,;-5.36,-.63,;-6.89,-.47,;-7.52,-1.87,;-6.38,-2.9,;-6.38,-4.44,;-5.04,-5.21,;-3.71,-4.44,;-2.24,-4.92,;-1.34,-3.67,;-2.24,-2.43,;-3.71,-2.9,;-5.04,-2.13,;4.15,5.11,;5.63,4.71,)|

Fc1ccc(CCNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|

F[C@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,1.0,wD:8.8,(5.91,4.1,;4.58,3.33,;4.1,1.86,;2.56,1.86,;2.09,3.33,;3.33,4.23,;.6,3.73,;.2,5.21,;-.49,2.64,;-1.98,3.04,;-3.07,1.95,;-2.67,.46,;-1.18,.06,;-.09,1.15,;-3.76,-.63,;-5.29,-.47,;-5.91,-1.87,;-4.77,-2.9,;-4.77,-4.44,;-3.44,-5.21,;-2.1,-4.44,;-.64,-4.92,;.27,-3.67,;-.64,-2.43,;-2.1,-2.9,;-3.44,-2.13,)|

N#Cc1ccc(CN2CCC(CC2)c2ncn3cnc4[nH]ccc4c23)cc1

O=C(OCc1ccccc1)N1CCC(C1)c1nnn2cnc3[nH]ccc3c12

OC(CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)C(F)(F)F

N#CCOc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1

C(\C=C\c1ccco1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

Clc1n[nH]c2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc12

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc2nccnc2c1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cocn1

FC(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)-n1ccnc1

Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N

Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N

Fc1cc(cc(F)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F

O=C1COc2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc2N1

CN(CCC#N)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

FC1(F)Oc2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc2O1

Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1

FC1(F)Oc2cccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)c2O1

N#C\C(=C/N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1

Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)n1

c6ccc5sc(CN4CCC(c2nnn3cnc1[nH]ccc1c23)CC4)cc5c6

Brc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)sc1Br

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cnc(s1)N1CCOCC1

Clc1ccc(cc1)C(=C\N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)\C#N

Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1

Brc1csc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1

Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccncc1

C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cscn1

NC(=O)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N

FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N

FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N

CC(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1

N#CCN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

Clc1cc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N |r,wU:9.12,wD:6.5,(2.66,6.7,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,;4.55,4.82,;5.63,5.91,;6.72,6.99,)|

N#Cc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c2ccccc12 |r,wU:11.14,wD:8.7,(6.67,6.99,;5.58,5.91,;4.49,4.82,;3,5.21,;1.92,4.13,;2.31,2.64,;1.22,1.55,;-.26,1.95,;-1.35,.86,;-2.84,1.26,;-3.93,.17,;-3.53,-1.32,;-2.04,-1.72,;-.95,-.63,;-4.62,-2.41,;-6.15,-2.25,;-6.78,-3.65,;-5.63,-4.68,;-5.63,-6.22,;-4.3,-6.99,;-2.96,-6.22,;-1.5,-6.7,;-.59,-5.45,;-1.5,-4.21,;-2.96,-4.68,;-4.3,-3.91,;3.8,2.24,;4.2,.75,;5.69,.35,;6.78,1.44,;6.38,2.93,;4.89,3.33,)|

Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1F |r,wU:10.13,wD:7.6,(5.78,6.45,;4.69,5.36,;3.2,5.76,;2.11,4.67,;2.51,3.18,;1.42,2.09,;-.06,2.49,;-1.15,1.4,;-2.64,1.8,;-3.73,.71,;-3.33,-.77,;-1.84,-1.17,;-.75,-.08,;-4.42,-1.86,;-5.95,-1.7,;-6.58,-3.11,;-5.43,-4.14,;-5.43,-5.68,;-4.1,-6.45,;-2.77,-5.68,;-1.3,-6.16,;-.4,-4.91,;-1.3,-3.66,;-2.77,-4.14,;-4.1,-3.37,;4,2.78,;5.09,3.87,;6.58,3.47,)|

Fc1cc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc(F)c1F |r,wU:9.12,wD:6.5,(6.58,3.08,;5.09,3.47,;4,2.39,;2.51,2.78,;1.42,1.7,;-.06,2.09,;-1.15,1.01,;-2.64,1.4,;-3.73,.31,;-3.33,-1.17,;-1.84,-1.57,;-.75,-.48,;-4.42,-2.26,;-5.95,-2.1,;-6.58,-3.51,;-5.43,-4.54,;-5.43,-6.08,;-4.1,-6.85,;-2.77,-6.08,;-1.3,-6.55,;-.4,-5.31,;-1.3,-4.06,;-2.77,-4.54,;-4.1,-3.77,;2.11,4.27,;3.2,5.36,;2.8,6.85,;4.69,4.96,;5.78,6.05,)|

Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F |r,wU:10.13,wD:7.6,(5.04,6.45,;3.95,5.36,;2.46,5.76,;1.37,4.67,;1.77,3.18,;.68,2.09,;-.81,2.49,;-1.9,1.4,;-3.38,1.8,;-4.47,.71,;-4.07,-.77,;-2.59,-1.17,;-1.5,-.08,;-5.16,-1.86,;-6.69,-1.7,;-7.32,-3.11,;-6.18,-4.14,;-6.18,-5.68,;-4.84,-6.45,;-3.51,-5.68,;-2.04,-6.16,;-1.14,-4.91,;-2.04,-3.66,;-3.51,-4.14,;-4.84,-3.37,;3.26,2.78,;4.35,3.87,;5.83,3.47,;6.92,4.56,;6.23,1.99,;7.32,3.08,)|

Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N |r,wU:10.13,wD:7.6,(5.04,6.45,;3.95,5.36,;2.46,5.76,;1.37,4.67,;1.77,3.18,;.68,2.09,;-.81,2.49,;-1.9,1.4,;-3.38,1.8,;-4.47,.71,;-4.07,-.77,;-2.59,-1.17,;-1.5,-.08,;-5.16,-1.86,;-6.69,-1.7,;-7.32,-3.11,;-6.18,-4.14,;-6.18,-5.68,;-4.84,-6.45,;-3.51,-5.68,;-2.04,-6.16,;-1.14,-4.91,;-2.04,-3.66,;-3.51,-4.14,;-4.84,-3.37,;3.26,2.78,;4.35,3.87,;5.83,3.47,;7.32,3.08,)|

O=C1SCCC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,(5.7,2.3,;4.93,3.63,;5.41,5.1,;4.16,6,;2.91,5.1,;3.39,3.63,;2.3,2.54,;.81,2.94,;-.28,1.85,;-1.76,2.25,;-2.85,1.16,;-2.45,-.33,;-.97,-.72,;.12,.36,;-3.54,-1.41,;-5.07,-1.25,;-5.7,-2.66,;-4.56,-3.69,;-4.56,-5.23,;-3.22,-6,;-1.89,-5.23,;-.42,-5.71,;.48,-4.46,;-.42,-3.22,;-1.89,-3.69,;-3.22,-2.92,)|

C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCSC1 |r,wU:4.7,wD:1.0,(1.33,4.05,;.24,2.96,;-1.25,3.36,;-2.34,2.27,;-1.94,.78,;-.45,.38,;.64,1.47,;-3.03,-.31,;-4.56,-.15,;-5.19,-1.55,;-4.04,-2.58,;-4.04,-4.12,;-2.71,-4.89,;-1.37,-4.12,;.09,-4.6,;1,-3.35,;.09,-2.11,;-1.37,-2.58,;-2.71,-1.81,;2.82,3.65,;3.72,4.89,;5.19,4.42,;5.19,2.88,;3.72,2.4,)|

FC(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.83,5.16,;4.74,4.07,;5.14,2.58,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|

FC(F)(F)CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(4.69,5.91,;5.09,4.42,;6.58,4.02,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|

OC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:8.11,wD:5.4,(5.8,2.92,;4.31,3.32,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|

FC(F)(F)C1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:12.15,wD:9.8,(6.58,3.62,;5.49,2.53,;5.89,1.04,;6.98,2.13,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|

N#CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|

O=C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CCN1 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,;2.57,1.89,;4.05,1.5,;5.14,2.58,)|

NC(=O)C1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:11.14,wD:8.7,(6.78,3.62,;5.69,2.53,;6.09,1.04,;4.2,2.93,;3.11,1.84,;1.62,2.24,;1.22,3.73,;-.26,4.13,;-1.35,3.04,;-2.84,3.44,;-3.93,2.35,;-3.53,.86,;-2.04,.46,;-.95,1.55,;-4.62,-.23,;-6.15,-.07,;-6.78,-1.48,;-5.63,-2.51,;-5.63,-4.05,;-4.3,-4.82,;-2.96,-4.05,;-1.5,-4.52,;-.59,-3.28,;-1.5,-2.03,;-2.96,-2.51,;-4.3,-1.74,;2.31,4.82,;3.8,4.42,)|

N#Cc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N |r,wU:11.14,wD:8.7,(6.13,6.99,;5.04,5.91,;3.95,4.82,;2.46,5.21,;1.37,4.13,;1.77,2.64,;.68,1.55,;-.81,1.95,;-1.9,.86,;-3.38,1.26,;-4.47,.17,;-4.07,-1.32,;-2.59,-1.72,;-1.5,-.63,;-5.16,-2.41,;-6.69,-2.25,;-7.32,-3.65,;-6.18,-4.68,;-6.18,-6.22,;-4.84,-6.99,;-3.51,-6.22,;-2.04,-6.7,;-1.14,-5.45,;-2.04,-4.21,;-3.51,-4.68,;-4.84,-3.91,;3.26,2.24,;4.35,3.33,;5.83,2.93,;7.32,2.53,)|

Clc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N |r,wU:10.13,wD:7.6,(5.04,6.45,;3.95,5.36,;2.46,5.76,;1.37,4.67,;1.77,3.18,;.68,2.09,;-.81,2.49,;-1.9,1.4,;-3.38,1.8,;-4.47,.71,;-4.07,-.77,;-2.59,-1.17,;-1.5,-.08,;-5.16,-1.86,;-6.69,-1.7,;-7.32,-3.11,;-6.18,-4.14,;-6.18,-5.68,;-4.84,-6.45,;-3.51,-5.68,;-2.04,-6.16,;-1.14,-4.91,;-2.04,-3.66,;-3.51,-4.14,;-4.84,-3.37,;3.26,2.78,;4.35,3.87,;5.83,3.47,;7.32,3.08,)|

N#CCc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.67,5.65,;6.18,6.05,;4.69,6.45,;3.6,5.36,;4,3.87,;2.91,2.78,;1.42,3.18,;.34,2.09,;-1.15,2.49,;-2.24,1.4,;-3.73,1.8,;-4.82,.71,;-4.42,-.77,;-2.93,-1.17,;-1.84,-.08,;-5.51,-1.86,;-7.04,-1.7,;-7.67,-3.11,;-6.52,-4.14,;-6.52,-5.68,;-5.19,-6.45,;-3.85,-5.68,;-2.39,-6.16,;-1.48,-4.91,;-2.39,-3.66,;-3.85,-4.14,;-5.19,-3.37,;1.03,4.67,;2.11,5.76,)|

OC[C@H]1CCCN1C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,2.1,wD:8.8,(4.41,6.18,;3.32,5.09,;3.72,3.61,;5.19,3.13,;5.19,1.59,;3.72,1.11,;2.82,2.36,;1.33,2.76,;.24,1.67,;-1.25,2.07,;-2.34,.98,;-1.94,-.51,;-.45,-.91,;.64,.18,;-3.03,-1.6,;-4.56,-1.44,;-5.19,-2.84,;-4.04,-3.87,;-4.04,-5.41,;-2.71,-6.18,;-1.37,-5.41,;.09,-5.89,;1,-4.64,;.09,-3.4,;-1.37,-3.87,;-2.71,-3.1,)|

OC[C@@H]1CCCN1C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,2.1,(4.41,6.18,;3.32,5.09,;3.72,3.61,;5.19,3.13,;5.19,1.59,;3.72,1.11,;2.82,2.36,;1.33,2.76,;.24,1.67,;-1.25,2.07,;-2.34,.98,;-1.94,-.51,;-.45,-.91,;.64,.18,;-3.03,-1.6,;-4.56,-1.44,;-5.19,-2.84,;-4.04,-3.87,;-4.04,-5.41,;-2.71,-6.18,;-1.37,-5.41,;.09,-5.89,;1,-4.64,;.09,-3.4,;-1.37,-3.87,;-2.71,-3.1,)|

O[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,1.0,(5.85,5.04,;4.52,4.27,;4.52,2.73,;3.05,2.26,;2.15,3.5,;.66,3.9,;-.43,2.81,;-1.92,3.21,;-3,2.12,;-2.61,.63,;-1.12,.24,;-.03,1.32,;-3.69,-.46,;-5.23,-.29,;-5.85,-1.7,;-4.71,-2.73,;-4.71,-4.27,;-3.37,-5.04,;-2.04,-4.27,;-.58,-4.75,;.33,-3.5,;-.58,-2.26,;-2.04,-2.73,;-3.37,-1.96,;3.05,4.75,)|

OCCN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1 |r,wU:8.11,wD:5.4,(5.24,5.16,;4.15,4.07,;2.66,4.47,;1.57,3.38,;.08,3.78,;-1.01,2.69,;-2.49,3.09,;-3.58,2,;-3.18,.51,;-1.7,.12,;-.61,1.2,;-4.27,-.58,;-5.8,-.41,;-6.43,-1.82,;-5.29,-2.85,;-5.29,-4.39,;-3.95,-5.16,;-2.62,-4.39,;-1.15,-4.87,;-.25,-3.62,;-1.15,-2.38,;-2.62,-2.85,;-3.95,-2.08,;1.97,1.89,;3.46,1.5,;3.85,.01,;5.34,-.39,;6.43,.7,;6.03,2.19,;4.55,2.58,)|

FC(F)(Br)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|

COc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(8.06,3.97,;6.98,2.88,;5.49,3.28,;4.4,2.19,;2.91,2.58,;2.51,4.07,;1.03,4.47,;-.06,3.38,;-1.55,3.78,;-2.64,2.69,;-4.13,3.09,;-5.22,2,;-4.82,.51,;-3.33,.12,;-2.24,1.2,;-5.91,-.58,;-7.44,-.41,;-8.06,-1.82,;-6.92,-2.85,;-6.92,-4.39,;-5.59,-5.16,;-4.25,-4.39,;-2.79,-4.87,;-1.88,-3.62,;-2.79,-2.38,;-4.25,-2.85,;-5.59,-2.08,;3.6,5.16,;5.09,4.76,)|

OC1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:9.12,wD:6.5,(6.23,2.53,;4.74,2.93,;4.35,4.42,;2.86,4.82,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.18,2.24,;3.67,1.84,)|

OCCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|

O=C1COc2cc(NC[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)ccc2N1 |r,wU:12.15,wD:9.8,(7.47,6.81,;6.39,5.71,;6.79,4.21,;5.69,3.11,;4.2,3.51,;3.11,2.42,;1.62,2.82,;.53,1.73,;-.95,2.13,;-2.04,1.04,;-3.53,1.44,;-4.62,.35,;-4.22,-1.13,;-2.73,-1.53,;-1.64,-.44,;-5.31,-2.22,;-6.84,-2.06,;-7.47,-3.47,;-6.32,-4.5,;-6.32,-6.04,;-4.99,-6.81,;-3.66,-6.04,;-2.19,-6.52,;-1.29,-5.27,;-2.19,-4.02,;-3.66,-4.5,;-4.99,-3.73,;1.22,4.31,;2.31,5.4,;3.8,5,;4.89,6.09,)|

O=C1COc2ccc(NC[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)cc2N1 |r,wU:13.16,wD:10.9,(7.87,4.17,;6.39,4.57,;5.98,6.07,;4.48,6.45,;3.39,5.36,;1.91,5.76,;.82,4.67,;1.22,3.18,;.13,2.09,;-1.36,2.49,;-2.45,1.4,;-3.94,1.8,;-5.03,.71,;-4.63,-.77,;-3.14,-1.17,;-2.05,-.08,;-5.72,-1.86,;-7.25,-1.7,;-7.87,-3.11,;-6.73,-4.14,;-6.73,-5.68,;-5.4,-6.45,;-4.06,-5.68,;-2.6,-6.16,;-1.69,-4.91,;-2.6,-3.66,;-4.06,-4.14,;-5.4,-3.37,;2.7,2.78,;3.79,3.87,;5.28,3.47,)|

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O[C@@H](CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:8.11,wD:5.4,1.0,(5.24,5.16,;4.15,4.07,;2.66,4.47,;1.57,3.38,;.08,3.78,;-1.01,2.69,;-2.49,3.09,;-3.58,2,;-3.18,.51,;-1.7,.12,;-.61,1.2,;-4.27,-.58,;-5.8,-.41,;-6.43,-1.82,;-5.29,-2.85,;-5.29,-4.39,;-3.95,-5.16,;-2.62,-4.39,;-1.15,-4.87,;-.25,-3.62,;-1.15,-2.38,;-2.62,-2.85,;-3.95,-2.08,;4.55,2.58,;3.46,1.5,;3.85,.01,;5.34,-.39,;6.43,.7,;6.03,2.19,)|

O[C@H](CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:8.11,1.0,wD:5.4,(5.24,5.16,;4.15,4.07,;2.66,4.47,;1.57,3.38,;.08,3.78,;-1.01,2.69,;-2.49,3.09,;-3.58,2,;-3.18,.51,;-1.7,.12,;-.61,1.2,;-4.27,-.58,;-5.8,-.41,;-6.43,-1.82,;-5.29,-2.85,;-5.29,-4.39,;-3.95,-5.16,;-2.62,-4.39,;-1.15,-4.87,;-.25,-3.62,;-1.15,-2.38,;-2.62,-2.85,;-3.95,-2.08,;4.55,2.58,;3.46,1.5,;3.85,.01,;5.34,-.39,;6.43,.7,;6.03,2.19,)|

OC(=O)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,wD:7.6,(6.34,4.01,;5.25,2.92,;5.65,1.44,;3.76,3.32,;2.43,2.55,;1.66,3.89,;.17,4.29,;-.92,3.2,;-2.4,3.6,;-3.49,2.51,;-3.09,1.02,;-1.61,.62,;-.52,1.71,;-4.18,-.07,;-5.71,.09,;-6.34,-1.32,;-5.2,-2.35,;-5.2,-3.89,;-3.86,-4.66,;-2.53,-3.89,;-1.06,-4.36,;-.16,-3.12,;-1.06,-1.87,;-2.53,-2.35,;-3.86,-1.58,;2.99,4.66,)|

O=C1OCCC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,(5.7,2.3,;4.93,3.63,;5.41,5.1,;4.16,6,;2.91,5.1,;3.39,3.63,;2.3,2.54,;.81,2.94,;-.28,1.85,;-1.76,2.25,;-2.85,1.16,;-2.45,-.33,;-.97,-.72,;.12,.36,;-3.54,-1.41,;-5.07,-1.25,;-5.7,-2.66,;-4.56,-3.69,;-4.56,-5.23,;-3.22,-6,;-1.89,-5.23,;-.42,-5.71,;.48,-4.46,;-.42,-3.22,;-1.89,-3.69,;-3.22,-2.92,)|

C(NC1CC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.12,wD:5.5,(1.22,3.38,;2.71,2.98,;3.8,4.07,;5.29,4.47,;4.2,5.56,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

N#CC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(6.54,2.53,;5.05,2.92,;3.56,3.32,;2.23,2.55,;1.46,3.89,;-.03,4.29,;-1.12,3.2,;-2.6,3.6,;-3.69,2.51,;-3.29,1.02,;-1.81,.62,;-.72,1.71,;-4.38,-.07,;-5.91,.09,;-6.54,-1.32,;-5.4,-2.35,;-5.4,-3.89,;-4.06,-4.66,;-2.73,-3.89,;-1.26,-4.36,;-.36,-3.12,;-1.26,-1.87,;-2.73,-2.35,;-4.06,-1.58,;2.79,4.66,)|

N#Cc1ccc(CCNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(8.01,7.34,;6.92,6.25,;5.83,5.16,;6.23,3.67,;5.14,2.58,;3.66,2.98,;2.57,1.89,;1.08,2.29,;-.01,1.2,;-1.5,1.6,;-2.59,.51,;-4.07,.91,;-5.16,-.18,;-4.76,-1.66,;-3.28,-2.06,;-2.19,-.97,;-5.85,-2.75,;-7.38,-2.59,;-8.01,-4,;-6.87,-5.03,;-6.87,-6.57,;-5.53,-7.34,;-4.2,-6.57,;-2.73,-7.05,;-1.83,-5.8,;-2.73,-4.55,;-4.2,-5.03,;-5.53,-4.26,;3.26,4.47,;4.35,5.56,)|

C(NC1CCC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(1.2,3.36,;2.69,2.96,;3.78,4.05,;5.32,4.05,;5.32,5.59,;3.78,5.59,;.11,2.27,;-1.38,2.67,;-2.47,1.58,;-2.07,.09,;-.58,-.31,;.51,.78,;-3.16,-1,;-4.69,-.84,;-5.32,-2.25,;-4.17,-3.28,;-4.17,-4.82,;-2.84,-5.59,;-1.5,-4.82,;-.04,-5.29,;.87,-4.05,;-.04,-2.8,;-1.5,-3.28,;-2.84,-2.51,)|

C(NC1CCCC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(.96,2.94,;2.45,2.54,;3.54,3.63,;5.08,3.63,;5.55,5.1,;4.31,6,;3.06,5.1,;-.13,1.85,;-1.62,2.25,;-2.7,1.16,;-2.31,-.33,;-.82,-.72,;.27,.36,;-3.4,-1.41,;-4.93,-1.25,;-5.55,-2.66,;-4.41,-3.69,;-4.41,-5.23,;-3.07,-6,;-1.74,-5.23,;-.28,-5.71,;.63,-4.46,;-.28,-3.22,;-1.74,-3.69,;-3.07,-2.92,)|

C(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:6.9,wD:3.2,(3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,;4.55,4.42,;5.63,3.33,;6.03,4.82,)|

C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCC1 |r,wU:4.7,wD:1.0,(1.46,4.29,;.37,3.2,;-1.12,3.6,;-2.2,2.51,;-1.81,1.02,;-.32,.62,;.77,1.71,;-2.89,-.07,;-4.43,.09,;-5.05,-1.32,;-3.91,-2.35,;-3.91,-3.89,;-2.57,-4.66,;-1.24,-3.89,;.22,-4.36,;1.13,-3.12,;.22,-1.87,;-1.24,-2.35,;-2.57,-1.58,;2.95,3.89,;3.72,2.55,;5.05,3.32,;4.28,4.66,)|

C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCCC1 |r,wU:4.7,wD:1.0,(1.33,4.05,;.24,2.96,;-1.25,3.36,;-2.34,2.27,;-1.94,.78,;-.45,.38,;.64,1.47,;-3.03,-.31,;-4.56,-.15,;-5.19,-1.55,;-4.04,-2.58,;-4.04,-4.12,;-2.71,-4.89,;-1.37,-4.12,;.09,-4.6,;1,-3.35,;.09,-2.11,;-1.37,-2.58,;-2.71,-1.81,;2.82,3.65,;3.72,2.4,;5.19,2.88,;5.19,4.42,;3.72,4.89,)|

O=C1NOC[C@H]1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,5.6,(5.7,2.3,;4.93,3.63,;5.41,5.1,;4.16,6,;2.91,5.1,;3.39,3.63,;2.3,2.54,;.81,2.94,;-.28,1.85,;-1.76,2.25,;-2.85,1.16,;-2.45,-.33,;-.97,-.72,;.12,.36,;-3.54,-1.41,;-5.07,-1.25,;-5.7,-2.66,;-4.56,-3.69,;-4.56,-5.23,;-3.22,-6,;-1.89,-5.23,;-.42,-5.71,;.48,-4.46,;-.42,-3.22,;-1.89,-3.69,;-3.22,-2.92,)|

C(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)[C@H]1CCCO1 |r,wU:6.9,wD:3.2,21.24,(2.62,4.39,;1.53,3.3,;.04,3.7,;-1.05,2.61,;-2.54,3.01,;-3.63,1.92,;-3.23,.44,;-1.74,.04,;-.65,1.13,;-4.32,-.65,;-5.85,-.49,;-6.47,-1.9,;-5.33,-2.93,;-5.33,-4.47,;-4,-5.24,;-2.66,-4.47,;-1.2,-4.95,;-.29,-3.7,;-1.2,-2.45,;-2.66,-2.93,;-4,-2.16,;4.1,3.99,;5.01,2.75,;6.47,3.22,;6.47,4.76,;5.01,5.24,)|

CC1(C)CC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(5.88,4.05,;4.55,4.82,;5.88,5.59,;3.21,5.59,;3.21,4.05,;2.12,2.96,;.63,3.36,;-.45,2.27,;-1.94,2.67,;-3.03,1.58,;-2.63,.09,;-1.14,-.31,;-.06,.78,;-3.72,-1,;-5.25,-.84,;-5.88,-2.25,;-4.73,-3.28,;-4.73,-4.82,;-3.4,-5.59,;-2.07,-4.82,;-.6,-5.29,;.3,-4.05,;-.6,-2.8,;-2.07,-3.28,;-3.4,-2.51,)|

CC1CC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(6.03,4.07,;4.55,4.47,;3.46,5.56,;3.06,4.07,;1.97,2.98,;.48,3.38,;-.61,2.29,;-2.1,2.69,;-3.18,1.6,;-2.79,.12,;-1.3,-.28,;-.21,.81,;-3.87,-.97,;-5.41,-.81,;-6.03,-2.22,;-4.89,-3.25,;-4.89,-4.79,;-3.55,-5.56,;-2.22,-4.79,;-.76,-5.27,;.15,-4.02,;-.76,-2.77,;-2.22,-3.25,;-3.55,-2.48,)|

FC(F)(F)C1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(4.94,2.19,;4.55,3.67,;5.63,4.76,;6.03,3.28,;3.06,4.07,;3.46,5.56,;1.97,5.16,;1.97,2.98,;.48,3.38,;-.61,2.29,;-2.1,2.69,;-3.18,1.6,;-2.79,.12,;-1.3,-.28,;-.21,.81,;-3.87,-.97,;-5.41,-.81,;-6.03,-2.22,;-4.89,-3.25,;-4.89,-4.79,;-3.55,-5.56,;-2.22,-4.79,;-.76,-5.27,;.15,-4.02,;-.76,-2.77,;-2.22,-3.25,;-3.55,-2.48,)|

COCC1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,(6.58,4.36,;5.09,4.76,;4,3.67,;2.51,4.07,;2.91,5.56,;1.42,5.16,;1.42,2.98,;-.06,3.38,;-1.15,2.29,;-2.64,2.69,;-3.73,1.6,;-3.33,.12,;-1.84,-.28,;-.75,.81,;-4.42,-.97,;-5.95,-.81,;-6.58,-2.22,;-5.43,-3.25,;-5.43,-4.79,;-4.1,-5.56,;-2.77,-4.79,;-1.3,-5.27,;-.4,-4.02,;-1.3,-2.77,;-2.77,-3.25,;-4.1,-2.48,)|

C(NC1COC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(1.2,3.36,;2.69,2.96,;3.78,4.05,;5.32,4.05,;5.32,5.59,;3.78,5.59,;.11,2.27,;-1.38,2.67,;-2.47,1.58,;-2.07,.09,;-.58,-.31,;.51,.78,;-3.16,-1,;-4.69,-.84,;-5.32,-2.25,;-4.17,-3.28,;-4.17,-4.82,;-2.84,-5.59,;-1.5,-4.82,;-.04,-5.29,;.87,-4.05,;-.04,-2.8,;-1.5,-3.28,;-2.84,-2.51,)|

CC1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(5.29,3.67,;3.8,4.07,;4.2,5.56,;2.71,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

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CN(CCO)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(2.57,1.89,;2.17,3.38,;3.26,4.47,;4.74,4.07,;5.83,5.16,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|

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OC12CC3CC(C1)C(NC[C@H]1CC[C@@H](CC1)c1nnn4cnc5[nH]ccc5c14)C(C3)C2 |r,wU:13.17,wD:10.10,TLB:8:7:3.4.29:30.1.6,4:3:30:7.5.6,4:5:30:3.2.29,THB:8:7:30:3.2.29,2:3:7:30.1.6,2:1:7:3.4.29,(4.96,7.38,;4.96,5.84,;6.29,5.07,;6.29,3.53,;5.4,1.61,;4.19,2.27,;4.21,4.67,;2.8,2.25,;1.71,1.16,;.22,1.56,;-.87,.47,;-2.36,.87,;-3.44,-.22,;-3.05,-1.7,;-1.56,-2.1,;-.47,-1.01,;-4.13,-2.79,;-5.67,-2.63,;-6.29,-4.04,;-5.15,-5.07,;-5.15,-6.61,;-3.81,-7.38,;-2.48,-6.61,;-1.02,-7.09,;-.11,-5.84,;-1.02,-4.59,;-2.48,-5.07,;-3.81,-4.3,;3.63,3.53,;4.96,2.76,;3.63,5.07,)|

O[C@H]1CC[C@@H](CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,4.7,wD:9.9,1.0,(6.18,6.45,;5.09,5.36,;3.6,5.76,;2.51,4.67,;2.91,3.18,;4.4,2.78,;5.49,3.87,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,)|

OCCN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CCCCC1 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,;2.57,1.89,;1.48,.81,;1.88,-.68,;3.36,-1.08,;4.45,.01,;4.05,1.5,)|

CC(C)(C)OC(=O)N[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:16.19,8.7,wD:13.12,(8.52,5.04,;7.19,4.27,;7.19,2.73,;8.52,3.5,;5.85,5.04,;4.52,4.27,;4.52,2.73,;3.19,5.04,;1.85,4.27,;1.85,2.73,;.39,2.26,;-.52,3.5,;-2.01,3.9,;-3.09,2.81,;-4.58,3.21,;-5.67,2.12,;-5.27,.63,;-3.79,.24,;-2.7,1.32,;-6.36,-.46,;-7.89,-.29,;-8.52,-1.7,;-7.38,-2.73,;-7.38,-4.27,;-6.04,-5.04,;-4.71,-4.27,;-3.24,-4.75,;-2.34,-3.5,;-3.24,-2.26,;-4.71,-2.73,;-6.04,-1.96,;.39,4.75,)|

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OC1(CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1)c1ccc(Cl)c(c1)C(F)(F)F |r,wU:9.12,wD:6.5,(3.5,4.02,;2.41,2.93,;1.32,1.84,;-.17,2.24,;-.57,3.73,;-2.05,4.13,;-3.14,3.04,;-4.63,3.44,;-5.72,2.35,;-5.32,.86,;-3.83,.46,;-2.74,1.55,;-6.41,-.23,;-7.94,-.07,;-8.57,-1.48,;-7.42,-2.51,;-7.42,-4.05,;-6.09,-4.82,;-4.76,-4.05,;-3.29,-4.52,;-2.39,-3.28,;-3.29,-2.03,;-4.76,-2.51,;-6.09,-1.74,;.52,4.82,;2.01,4.42,;3.18,1.6,;2.41,.26,;3.18,-1.07,;4.72,-1.07,;5.49,-2.4,;5.49,.26,;4.72,1.6,;7.03,.26,;7.8,-1.07,;7.8,1.6,;8.57,.26,)|

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CC(C)(O)C1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:12.15,wD:9.8,(6.58,3.62,;5.49,2.53,;5.89,1.04,;6.98,2.13,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|

O[C@H]1CCCC[C@H]1CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,6.7,1.0,(3.11,1.5,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;3.8,4.07,;2.31,4.47,;1.22,3.38,;-.26,3.78,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|

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OCCN1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:11.14,wD:8.7,(7.17,.65,;5.69,1.04,;5.29,2.53,;3.8,2.93,;2.71,1.84,;1.22,2.24,;.83,3.73,;-.66,4.13,;-1.75,3.04,;-3.24,3.44,;-4.33,2.35,;-3.93,.86,;-2.44,.46,;-1.35,1.55,;-5.02,-.23,;-6.55,-.07,;-7.17,-1.48,;-6.03,-2.51,;-6.03,-4.05,;-4.7,-4.82,;-3.36,-4.05,;-1.9,-4.52,;-.99,-3.28,;-1.9,-2.03,;-3.36,-2.51,;-4.7,-1.74,;1.92,4.82,;3.4,4.42,)|

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CC(=O)N[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:12.15,wD:9.8,4.3,(7.19,5.04,;5.85,4.27,;5.85,2.73,;4.52,5.04,;3.19,4.27,;3.19,2.73,;1.72,2.26,;.82,3.5,;-.67,3.9,;-1.76,2.81,;-3.25,3.21,;-4.34,2.12,;-3.94,.63,;-2.45,.24,;-1.36,1.32,;-5.03,-.46,;-6.56,-.29,;-7.19,-1.7,;-6.04,-2.73,;-6.04,-4.27,;-4.71,-5.04,;-3.37,-4.27,;-1.91,-4.75,;-1,-3.5,;-1.91,-2.26,;-3.37,-2.73,;-4.71,-1.96,;1.72,4.75,)|

CC(=O)N[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:12.15,4.3,wD:9.8,(7.19,5.04,;5.85,4.27,;5.85,2.73,;4.52,5.04,;3.19,4.27,;3.19,2.73,;1.72,2.26,;.82,3.5,;-.67,3.9,;-1.76,2.81,;-3.25,3.21,;-4.34,2.12,;-3.94,.63,;-2.45,.24,;-1.36,1.32,;-5.03,-.46,;-6.56,-.29,;-7.19,-1.7,;-6.04,-2.73,;-6.04,-4.27,;-4.71,-5.04,;-3.37,-4.27,;-1.91,-4.75,;-1,-3.5,;-1.91,-2.26,;-3.37,-2.73,;-4.71,-1.96,;1.72,4.75,)|

FC(F)(F)C(=O)N[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:15.18,wD:12.11,7.6,(7.85,3.5,;6.52,4.27,;6.52,5.81,;7.85,5.04,;5.19,3.5,;5.19,1.96,;3.85,4.27,;2.52,3.5,;2.52,1.96,;1.05,1.49,;.15,2.73,;-1.34,3.13,;-2.43,2.04,;-3.92,2.44,;-5,1.35,;-4.61,-.14,;-3.12,-.53,;-2.03,.55,;-5.7,-1.23,;-7.23,-1.06,;-7.85,-2.47,;-6.71,-3.5,;-6.71,-5.04,;-5.37,-5.81,;-4.04,-5.04,;-2.58,-5.52,;-1.67,-4.27,;-2.58,-3.03,;-4.04,-3.5,;-5.37,-2.73,;1.05,3.98,)|

FC(F)(F)C(=O)N[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:15.18,7.6,wD:12.11,(7.85,3.5,;6.52,4.27,;6.52,5.81,;7.85,5.04,;5.19,3.5,;5.19,1.96,;3.85,4.27,;2.52,3.5,;2.52,1.96,;1.05,1.49,;.15,2.73,;-1.34,3.13,;-2.43,2.04,;-3.92,2.44,;-5,1.35,;-4.61,-.14,;-3.12,-.53,;-2.03,.55,;-5.7,-1.23,;-7.23,-1.06,;-7.85,-2.47,;-6.71,-3.5,;-6.71,-5.04,;-5.37,-5.81,;-4.04,-5.04,;-2.58,-5.52,;-1.67,-4.27,;-2.58,-3.03,;-4.04,-3.5,;-5.37,-2.73,;1.05,3.98,)|

Fc1ccc(cc1)C1(COC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.21,wD:13.14,(7.52,2.17,;6.03,2.57,;4.94,1.48,;3.46,1.88,;3.06,3.37,;4.15,4.45,;5.63,4.06,;1.57,3.76,;2.34,5.1,;1.01,5.87,;.24,4.53,;.48,2.68,;-1.01,3.07,;-2.1,1.99,;-3.58,2.38,;-4.67,1.29,;-4.27,-.19,;-2.79,-.59,;-1.7,.5,;-5.36,-1.28,;-6.89,-1.12,;-7.52,-2.53,;-6.38,-3.56,;-6.38,-5.1,;-5.04,-5.87,;-3.71,-5.1,;-2.24,-5.57,;-1.34,-4.33,;-2.24,-3.08,;-3.71,-3.56,;-5.04,-2.79,)|

Fc1ccc(cc1)C1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.20,wD:12.13,(7.52,2.48,;6.03,2.88,;4.94,1.79,;3.46,2.19,;3.06,3.67,;4.15,4.76,;5.63,4.36,;1.57,4.07,;1.97,5.56,;.48,5.16,;.48,2.98,;-1.01,3.38,;-2.1,2.29,;-3.58,2.69,;-4.67,1.6,;-4.27,.12,;-2.79,-.28,;-1.7,.81,;-5.36,-.97,;-6.89,-.81,;-7.52,-2.22,;-6.38,-3.25,;-6.38,-4.79,;-5.04,-5.56,;-3.71,-4.79,;-2.24,-5.27,;-1.34,-4.02,;-2.24,-2.77,;-3.71,-3.25,;-5.04,-2.48,)|

Fc1ccc(cc1)C1(CCC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.21,wD:13.14,(7.52,2.17,;6.03,2.57,;4.94,1.48,;3.46,1.88,;3.06,3.37,;4.15,4.45,;5.63,4.06,;1.57,3.76,;2.34,5.1,;1.01,5.87,;.24,4.53,;.48,2.68,;-1.01,3.07,;-2.1,1.99,;-3.58,2.38,;-4.67,1.29,;-4.27,-.19,;-2.79,-.59,;-1.7,.5,;-5.36,-1.28,;-6.89,-1.12,;-7.52,-2.53,;-6.38,-3.56,;-6.38,-5.1,;-5.04,-5.87,;-3.71,-5.1,;-2.24,-5.57,;-1.34,-4.33,;-2.24,-3.08,;-3.71,-3.56,;-5.04,-2.79,)|

COCCN(C)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(6.58,4.76,;5.09,5.16,;4,4.07,;2.51,4.47,;1.42,3.38,;1.82,1.89,;-.06,3.78,;-1.15,2.69,;-2.64,3.09,;-3.73,2,;-3.33,.51,;-1.84,.12,;-.75,1.2,;-4.42,-.58,;-5.95,-.41,;-6.58,-1.82,;-5.43,-2.85,;-5.43,-4.39,;-4.1,-5.16,;-2.77,-4.39,;-1.3,-4.87,;-.4,-3.62,;-1.3,-2.38,;-2.77,-2.85,;-4.1,-2.08,)|

COCCN(CCOC)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.58,4.76,;5.09,5.16,;4,4.07,;2.51,4.47,;1.42,3.38,;1.82,1.89,;3.31,1.5,;3.71,.01,;5.2,-.39,;-.06,3.78,;-1.15,2.69,;-2.64,3.09,;-3.73,2,;-3.33,.51,;-1.84,.12,;-.75,1.2,;-4.42,-.58,;-5.95,-.41,;-6.58,-1.82,;-5.43,-2.85,;-5.43,-4.39,;-4.1,-5.16,;-2.77,-4.39,;-1.3,-4.87,;-.4,-3.62,;-1.3,-2.38,;-2.77,-2.85,;-4.1,-2.08,)|

OCC1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(5.83,4.76,;4.74,3.67,;3.26,4.07,;3.66,5.56,;2.17,5.16,;2.17,2.98,;.68,3.38,;-.41,2.29,;-1.9,2.69,;-2.98,1.6,;-2.59,.12,;-1.1,-.28,;-.01,.81,;-3.68,-.97,;-5.21,-.81,;-5.83,-2.22,;-4.69,-3.25,;-4.69,-4.79,;-3.36,-5.56,;-2.02,-4.79,;-.56,-5.27,;.35,-4.02,;-.56,-2.77,;-2.02,-3.25,;-3.36,-2.48,)|

FC1(F)CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,wD:7.6,(5.85,5.04,;4.52,4.27,;5.85,3.5,;4.52,2.73,;3.05,2.26,;2.15,3.5,;.66,3.9,;-.43,2.81,;-1.92,3.21,;-3,2.12,;-2.61,.63,;-1.12,.24,;-.03,1.32,;-3.69,-.46,;-5.23,-.29,;-5.85,-1.7,;-4.71,-2.73,;-4.71,-4.27,;-3.37,-5.04,;-2.04,-4.27,;-.58,-4.75,;.33,-3.5,;-.58,-2.26,;-2.04,-2.73,;-3.37,-1.96,;3.05,4.75,)|

CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.55,4.82,;3.46,3.73,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|

CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.29,4.42,;3.8,4.82,;2.71,3.73,;1.22,4.13,;.14,3.04,;-1.35,3.44,;-2.44,2.35,;-2.04,.86,;-.55,.46,;.53,1.55,;-3.13,-.23,;-4.66,-.07,;-5.29,-1.48,;-4.14,-2.51,;-4.14,-4.05,;-2.81,-4.82,;-1.48,-4.05,;-.01,-4.52,;.89,-3.28,;-.01,-2.03,;-1.48,-2.51,;-2.81,-1.74,)|

CC(C)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

CC(C)(C)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

C#CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|

C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCC(CC1)N1CCOCC1 |r,wU:4.7,wD:1.0,(-1.22,4.13,;-2.31,3.04,;-3.79,3.44,;-4.88,2.35,;-4.48,.86,;-3,.46,;-1.91,1.55,;-5.57,-.23,;-7.1,-.07,;-7.73,-1.48,;-6.59,-2.51,;-6.59,-4.05,;-5.25,-4.82,;-3.92,-4.05,;-2.45,-4.52,;-1.55,-3.28,;-2.45,-2.03,;-3.92,-2.51,;-5.25,-1.74,;.27,3.73,;1.36,4.82,;2.85,4.42,;3.26,2.93,;2.17,1.84,;.69,2.24,;4.75,2.54,;5.16,1.05,;6.65,.66,;7.73,1.76,;7.32,3.24,;5.84,3.63,)|

CC(C)(C)OC(=O)N1CCC(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:17.20,wD:14.13,(8.46,2.08,;8.06,3.57,;9.15,4.66,;9.55,3.17,;6.58,3.97,;5.49,2.88,;5.89,1.39,;4,3.28,;2.91,2.19,;1.42,2.58,;1.03,4.07,;-.46,4.47,;-1.55,3.38,;-3.04,3.78,;-4.13,2.69,;-5.61,3.09,;-6.7,2,;-6.31,.51,;-4.82,.12,;-3.73,1.2,;-7.39,-.58,;-8.93,-.41,;-9.55,-1.82,;-8.41,-2.85,;-8.41,-4.39,;-7.07,-5.16,;-5.74,-4.39,;-4.28,-4.87,;-3.37,-3.62,;-4.28,-2.38,;-5.74,-2.85,;-7.07,-2.08,;2.11,5.16,;3.6,4.76,)|

CC(C)(C)OC(=O)NCC1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:17.20,wD:14.13,(8.48,2.35,;8.07,3.83,;9.15,4.93,;9.56,3.44,;6.58,4.23,;5.5,3.13,;5.9,1.65,;4.01,3.52,;2.92,2.43,;1.44,2.82,;1.02,4.31,;-.47,4.7,;-1.56,3.61,;-3.04,4.01,;-4.13,2.92,;-5.62,3.32,;-6.71,2.23,;-6.31,.75,;-4.82,.35,;-3.73,1.44,;-7.4,-.34,;-8.93,-.18,;-9.56,-1.59,;-8.41,-2.62,;-8.41,-4.16,;-7.08,-4.93,;-5.75,-4.16,;-4.28,-4.63,;-3.38,-3.39,;-4.28,-2.14,;-5.75,-2.62,;-7.08,-1.85,;-1.14,2.13,;.35,1.73,)|

CC(C)(C)OC(=O)N1CC[C@@H](C1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:17.21,wD:14.14,10.12,(6.93,7.16,;5.6,6.39,;5.6,4.85,;6.93,5.62,;4.26,7.16,;2.93,6.39,;1.6,7.16,;2.93,4.85,;4.18,3.94,;3.7,2.48,;2.16,2.48,;1.68,3.94,;1.07,1.39,;-.42,1.79,;-1.51,.7,;-2.99,1.1,;-4.08,.01,;-3.68,-1.48,;-2.2,-1.88,;-1.11,-.79,;-4.77,-2.57,;-6.3,-2.41,;-6.93,-3.82,;-5.79,-4.85,;-5.79,-6.39,;-4.45,-7.16,;-3.12,-6.39,;-1.65,-6.86,;-.75,-5.62,;-1.65,-4.37,;-3.12,-4.85,;-4.45,-4.08,)|

FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:8.11,wD:5.4,(5.8,2.92,;4.31,3.32,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|

FC1(F)CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(5.4,2.23,;4.31,3.32,;5.8,3.72,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|

CN(C)[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:11.14,wD:8.7,3.2,(6.58,3.12,;5.25,3.89,;5.25,5.43,;3.91,3.12,;3.44,1.65,;1.9,1.65,;1.42,3.12,;-.07,3.52,;-1.16,2.43,;-2.64,2.83,;-3.73,1.74,;-3.33,.25,;-1.85,-.15,;-.76,.94,;-4.42,-.84,;-5.95,-.68,;-6.58,-2.09,;-5.44,-3.12,;-5.44,-4.66,;-4.1,-5.43,;-2.77,-4.66,;-1.3,-5.13,;-.4,-3.89,;-1.3,-2.64,;-2.77,-3.12,;-4.1,-2.35,;2.67,4.02,)|

FC(F)(F)CNC(=O)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:14.17,wD:11.10,(7.87,4.36,;6.38,4.76,;5.98,6.25,;7.47,5.85,;5.29,3.67,;3.8,4.07,;2.71,2.98,;3.11,1.5,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-3.93,2,;-5.02,.91,;-4.62,-.58,;-3.13,-.97,;-2.04,.12,;-5.71,-1.66,;-7.24,-1.5,;-7.87,-2.91,;-6.72,-3.94,;-6.72,-5.48,;-5.39,-6.25,;-4.05,-5.48,;-2.59,-5.96,;-1.68,-4.71,;-2.59,-3.46,;-4.05,-3.94,;-5.39,-3.17,)|

FC(F)(F)C(F)(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.38,4.76,;5.29,3.67,;5.69,2.19,;6.78,3.28,;3.8,4.07,;4.89,5.16,;4.2,2.58,;2.31,4.47,;1.22,3.38,;-.26,3.78,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|

OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:8.11,wD:5.4,(4.4,1.84,;4,3.33,;2.51,3.73,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,;5.09,4.42,;4.69,5.91,;6.58,4.02,;6.18,5.51,)|

C(NC1CSC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(1.2,3.36,;2.69,2.96,;3.78,4.05,;5.32,4.05,;5.32,5.59,;3.78,5.59,;.11,2.27,;-1.38,2.67,;-2.47,1.58,;-2.07,.09,;-.58,-.31,;.51,.78,;-3.16,-1,;-4.69,-.84,;-5.32,-2.25,;-4.17,-3.28,;-4.17,-4.82,;-2.84,-5.59,;-1.5,-4.82,;-.04,-5.29,;.87,-4.05,;-.04,-2.8,;-1.5,-3.28,;-2.84,-2.51,)|

CCS(=O)(=O)N1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:13.16,wD:10.9,(7.52,3.22,;6.03,3.62,;4.94,2.53,;4.55,1.04,;6.28,1.76,;3.46,2.93,;2.37,1.84,;.88,2.24,;.48,3.73,;-1.01,4.13,;-2.1,3.04,;-3.58,3.44,;-4.67,2.35,;-4.27,.86,;-2.79,.46,;-1.7,1.55,;-5.36,-.23,;-6.89,-.07,;-7.52,-1.48,;-6.38,-2.51,;-6.38,-4.05,;-5.04,-4.82,;-3.71,-4.05,;-2.24,-4.52,;-1.34,-3.28,;-2.24,-2.03,;-3.71,-2.51,;-5.04,-1.74,;1.57,4.82,;3.06,4.42,)|

OC(CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:9.12,wD:6.5,(3.06,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.01,3.98,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;4.79,2.01,;6.12,2.78,;4.79,.47,;6.12,1.24,)|

OC(CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(F)cc1)C(F)(F)F |r,wU:9.12,wD:6.5,(2.71,.95,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;4.2,3.53,;5.69,3.13,;6.78,4.22,;6.38,5.71,;7.47,6.79,;4.89,6.1,;3.8,5.02,;4.44,1.67,;5.78,2.44,;4.44,.13,;5.78,.9,)|

NC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|

Cc1ccc(CNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)o1 |r,wU:12.15,wD:9.8,(7.14,5.39,;5.81,4.62,;5.81,3.08,;4.34,2.6,;3.44,3.85,;1.95,4.25,;.86,3.16,;-.63,3.56,;-1.03,5.04,;-1.72,2.47,;-3.2,2.86,;-4.29,1.78,;-3.89,.29,;-2.41,-.11,;-1.32,.98,;-4.98,-.8,;-6.51,-.64,;-7.14,-2.05,;-6,-3.08,;-6,-4.62,;-4.66,-5.39,;-3.33,-4.62,;-1.86,-5.09,;-.96,-3.85,;-1.86,-2.6,;-3.33,-3.08,;-4.66,-2.31,;4.34,5.09,)|

O=C(NCc1ccc(cc1)C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.19,wD:12.12,(-2.15,5.21,;-1.75,3.73,;-.26,3.33,;.83,4.42,;2.31,4.02,;2.71,2.53,;4.2,2.13,;5.29,3.22,;4.89,4.71,;3.4,5.11,;6.78,2.82,;8.26,2.42,;-2.84,2.64,;-4.33,3.04,;-5.42,1.95,;-5.02,.46,;-3.53,.06,;-2.44,1.15,;-6.11,-.63,;-7.64,-.47,;-8.26,-1.87,;-7.12,-2.9,;-7.12,-4.44,;-5.79,-5.21,;-4.45,-4.44,;-2.99,-4.92,;-2.08,-3.67,;-2.99,-2.43,;-4.45,-2.9,;-5.79,-2.13,)|

O=C(NC(C#N)c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.19,wD:12.12,(-.66,4.13,;-.26,2.64,;1.22,2.24,;2.31,3.33,;1.92,4.82,;1.52,6.3,;3.8,2.93,;4.2,1.44,;5.69,1.04,;6.78,2.13,;6.38,3.62,;4.89,4.02,;-1.35,1.55,;-2.84,1.95,;-3.93,.86,;-3.53,-.63,;-2.04,-1.03,;-.95,.06,;-4.62,-1.72,;-6.15,-1.56,;-6.78,-2.96,;-5.63,-3.99,;-5.63,-5.53,;-4.3,-6.3,;-2.96,-5.53,;-1.5,-6.01,;-.59,-4.76,;-1.5,-3.52,;-2.96,-3.99,;-4.3,-3.22,)|

Clc1ccc(CCNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|

O[C@H](CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:9.12,wD:6.5,1.0,(3.85,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.01,3.98,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|

FC(F)(F)CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(4.94,2.53,;4.55,4.02,;5.63,5.11,;6.03,3.62,;3.06,4.42,;1.97,3.33,;.48,3.73,;.08,5.21,;-.61,2.64,;-2.1,3.04,;-3.18,1.95,;-2.79,.46,;-1.3,.06,;-.21,1.15,;-3.87,-.63,;-5.41,-.47,;-6.03,-1.87,;-4.89,-2.9,;-4.89,-4.44,;-3.55,-5.21,;-2.22,-4.44,;-.76,-4.92,;.15,-3.67,;-.76,-2.43,;-2.22,-2.9,;-3.55,-2.13,)|

O=C(NCC#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(.08,5.21,;.48,3.73,;1.97,3.33,;3.06,4.42,;4.55,4.02,;6.03,3.62,;-.61,2.64,;-2.1,3.04,;-3.18,1.95,;-2.79,.46,;-1.3,.06,;-.21,1.15,;-3.87,-.63,;-5.41,-.47,;-6.03,-1.87,;-4.89,-2.9,;-4.89,-4.44,;-3.55,-5.21,;-2.22,-4.44,;-.76,-4.92,;.15,-3.67,;-.76,-2.43,;-2.22,-2.9,;-3.55,-2.13,)|

O=C(NCCC#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(-.26,4.72,;.14,3.24,;1.62,2.84,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|

O=C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CC[C@@H](C1)C#N |r,wU:5.8,23.29,wD:2.1,(-.4,5,;-.01,3.52,;-1.09,2.43,;-2.58,2.83,;-3.67,1.74,;-3.27,.25,;-1.78,-.15,;-.7,.94,;-4.36,-.84,;-5.89,-.68,;-6.52,-2.09,;-5.37,-3.12,;-5.37,-4.66,;-4.04,-5.43,;-2.71,-4.66,;-1.24,-5.13,;-.34,-3.89,;-1.24,-2.64,;-2.71,-3.12,;-4.04,-2.35,;1.48,3.12,;2.39,1.87,;3.85,2.35,;3.85,3.89,;2.39,4.36,;5.19,4.66,;6.52,5.43,)|

O[C@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,1.0,wD:8.8,(5.85,4.87,;4.52,4.1,;4.52,2.56,;3.05,2.08,;2.15,3.33,;3.05,4.57,;.66,3.73,;.26,5.21,;-.43,2.64,;-1.92,3.04,;-3,1.95,;-2.61,.46,;-1.12,.06,;-.03,1.15,;-3.69,-.63,;-5.23,-.47,;-5.85,-1.87,;-4.71,-2.9,;-4.71,-4.44,;-3.37,-5.21,;-2.04,-4.44,;-.58,-4.92,;.33,-3.67,;-.58,-2.43,;-2.04,-2.9,;-3.37,-2.13,)|

O=C(NC1CC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(.83,4.87,;1.22,3.38,;2.71,2.98,;3.8,4.07,;5.29,4.47,;4.2,5.56,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

OCCNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.83,5.11,;4.74,4.02,;3.26,4.42,;2.17,3.33,;.68,3.73,;.28,5.21,;-.41,2.64,;-1.9,3.04,;-2.98,1.95,;-2.59,.46,;-1.1,.06,;-.01,1.15,;-3.68,-.63,;-5.21,-.47,;-5.83,-1.87,;-4.69,-2.9,;-4.69,-4.44,;-3.36,-5.21,;-2.02,-4.44,;-.56,-4.92,;.35,-3.67,;-.56,-2.43,;-2.02,-2.9,;-3.36,-2.13,)|

OC1CN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(5.8,2.37,;4.31,2.77,;2.98,2,;2.21,3.33,;3.54,4.1,;.72,3.73,;.32,5.21,;-.37,2.64,;-1.86,3.04,;-2.95,1.95,;-2.55,.46,;-1.06,.06,;.03,1.15,;-3.64,-.63,;-5.17,-.47,;-5.8,-1.87,;-4.65,-2.9,;-4.65,-4.44,;-3.32,-5.21,;-1.98,-4.44,;-.52,-4.92,;.39,-3.67,;-.52,-2.43,;-1.98,-2.9,;-3.32,-2.13,)|

O=C(NCCc1ccc(cc1)C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.20,wD:13.13,(-1.9,3.09,;-1.5,1.6,;-.01,1.2,;1.08,2.29,;2.57,1.89,;3.66,2.98,;5.14,2.58,;6.23,3.67,;5.83,5.16,;4.35,5.56,;3.26,4.47,;6.92,6.25,;8.01,7.34,;-2.59,.51,;-4.07,.91,;-5.16,-.18,;-4.76,-1.66,;-3.28,-2.06,;-2.19,-.97,;-5.85,-2.75,;-7.38,-2.59,;-8.01,-4,;-6.87,-5.03,;-6.87,-6.57,;-5.53,-7.34,;-4.2,-6.57,;-2.73,-7.05,;-1.83,-5.8,;-2.73,-4.55,;-4.2,-5.03,;-5.53,-4.26,)|

O=C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CC(C1)C#N |r,wU:5.8,wD:2.1,(-.42,5.21,;-.03,3.73,;-1.12,2.64,;-2.6,3.04,;-3.69,1.95,;-3.29,.46,;-1.81,.06,;-.72,1.15,;-4.38,-.63,;-5.91,-.47,;-6.54,-1.87,;-5.4,-2.9,;-5.4,-4.44,;-4.06,-5.21,;-2.73,-4.44,;-1.26,-4.92,;-.36,-3.67,;-1.26,-2.43,;-2.73,-2.9,;-4.06,-2.13,;1.46,3.33,;2.23,2,;3.56,2.77,;2.79,4.1,;5.05,2.37,;6.54,1.97,)|

O=C(NCS(=O)(=O)c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.20,wD:13.13,(-1.01,3.98,;-.61,2.49,;.88,2.09,;1.97,3.18,;3.46,2.78,;3.06,1.3,;4.55,1.7,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,)|

Fc1ccc(cc1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:14.18,wD:11.11,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;2.51,4.67,;3.6,5.76,;1.82,2.09,;1.42,.61,;3.16,1.32,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,)|

O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:7.10,wD:4.3,(2.31,1.5,;2.71,2.98,;3.8,1.89,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,;3.8,4.07,;5.29,4.47,;4.2,5.56,)|

IC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

FC(F)(F)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;2.31,1.5,;4.05,2.21,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

[N-]=[N+]=NC[C@@H]4CC[C@@H](c2nnn3cnc1[nH]ccc1c23)CC4

CC(C)(O)c1cn(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)nn1 |r,wU:11.14,wD:8.7,(4.42,5.71,;5.19,4.37,;5.96,5.71,;6.52,3.6,;3.85,3.6,;2.39,4.08,;1.48,2.83,;-.01,3.23,;-1.09,2.14,;-2.58,2.54,;-3.67,1.45,;-3.27,-.03,;-1.78,-.43,;-.7,.66,;-4.36,-1.12,;-5.89,-.96,;-6.52,-2.37,;-5.37,-3.4,;-5.37,-4.94,;-4.04,-5.71,;-2.71,-4.94,;-1.24,-5.41,;-.34,-4.17,;-1.24,-2.92,;-2.71,-3.4,;-4.04,-2.63,;2.39,1.59,;3.85,2.06,)|

NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

O=C(CC#N)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(2.31,5.41,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|

FC(F)(F)CC(=O)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|

Cc1c(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)nn1CC(F)(F)F

N#Cc1ccc(CCN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1

N#Cc1ccc(cc1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

Clc1c[nH]c2ncn3nnc(C4CCN(Cc5ccc(cc5)C#N)CC4)c3c12

O[C@H]1Cc2ccccc2[C@H]1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |r,wD:9.11,1.0,(1.95,-.14,;2.72,1.19,;4.25,1.36,;4.57,2.86,;5.91,3.63,;5.91,5.17,;4.57,5.94,;3.24,5.17,;3.24,3.63,;2.09,2.6,;.61,3,;-.48,1.91,;-.08,.42,;-1.17,-.67,;-2.66,-.27,;-3.06,1.22,;-1.97,2.31,;-3.75,-1.36,;-5.28,-1.19,;-5.91,-2.6,;-4.76,-3.63,;-4.76,-5.17,;-3.43,-5.94,;-2.09,-5.17,;-.63,-5.65,;.28,-4.4,;-.63,-3.16,;-2.09,-3.63,;-3.43,-2.86,)|

O[C@@H]1Cc2ccccc2[C@@H]1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.11,1.0,(1.95,-.14,;2.72,1.19,;4.25,1.36,;4.57,2.86,;5.91,3.63,;5.91,5.17,;4.57,5.94,;3.24,5.17,;3.24,3.63,;2.09,2.6,;.61,3,;-.48,1.91,;-.08,.42,;-1.17,-.67,;-2.66,-.27,;-3.06,1.22,;-1.97,2.31,;-3.75,-1.36,;-5.28,-1.19,;-5.91,-2.6,;-4.76,-3.63,;-4.76,-5.17,;-3.43,-5.94,;-2.09,-5.17,;-.63,-5.65,;.28,-4.4,;-.63,-3.16,;-2.09,-3.63,;-3.43,-2.86,)|

N#CCCN(CCC#N)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.49,4.96,;3,5.36,;1.52,5.76,;.43,4.67,;.83,3.18,;2.31,2.78,;2.71,1.3,;4.2,.9,;5.69,.5,;-.26,2.09,;.14,.61,;-.95,-.48,;-2.44,-.08,;-2.84,1.4,;-1.75,2.49,;-3.53,-1.17,;-5.06,-1.01,;-5.69,-2.42,;-4.54,-3.45,;-4.54,-4.99,;-3.21,-5.76,;-1.88,-4.99,;-.41,-5.47,;.49,-4.22,;-.41,-2.97,;-1.88,-3.45,;-3.21,-2.68,)|

Fc1ccc(N[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:9.12,6.5,(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|

Fc1ccc(N[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:9.12,wD:6.5,(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|

FC(F)(Br)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;.53,.81,;-.55,-.28,;-2.04,.12,;-2.44,1.6,;-1.35,2.69,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

FC(F)(Br)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

FC(F)(F)C(F)(F)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,9.8,(3.95,6.1,;4.35,4.62,;5.83,4.22,;5.43,5.71,;3.26,3.53,;4.74,3.13,;2.86,5.02,;2.17,2.44,;.68,2.84,;-.41,1.75,;-.01,.26,;-1.1,-.83,;-2.59,-.43,;-2.98,1.06,;-1.9,2.15,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,)|

FC(F)(F)C(F)(F)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(3.95,6.1,;4.35,4.62,;5.83,4.22,;5.43,5.71,;3.26,3.53,;4.74,3.13,;2.86,5.02,;2.17,2.44,;.68,2.84,;-.41,1.75,;-1.9,2.15,;-2.98,1.06,;-2.59,-.43,;-1.1,-.83,;-.01,.26,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,)|

FC(F)(F)CNC(=O)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,10.9,(6.92,5.45,;5.83,4.36,;6.23,2.88,;7.32,3.97,;4.35,4.76,;3.26,3.67,;1.77,4.07,;1.37,5.56,;.68,2.98,;-.81,3.38,;-1.9,2.29,;-1.5,.81,;-2.59,-.28,;-4.07,.12,;-4.47,1.6,;-3.38,2.69,;-5.16,-.97,;-6.69,-.81,;-7.32,-2.22,;-6.18,-3.25,;-6.18,-4.79,;-4.84,-5.56,;-3.51,-4.79,;-2.04,-5.27,;-1.14,-4.02,;-2.04,-2.77,;-3.51,-3.25,;-4.84,-2.48,)|

FC(F)(F)CNC(=O)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.92,5.45,;5.83,4.36,;6.23,2.88,;7.32,3.97,;4.35,4.76,;3.26,3.67,;1.77,4.07,;1.37,5.56,;.68,2.98,;-.81,3.38,;-1.9,2.29,;-3.38,2.69,;-4.47,1.6,;-4.07,.12,;-2.59,-.28,;-1.5,.81,;-5.16,-.97,;-6.69,-.81,;-7.32,-2.22,;-6.18,-3.25,;-6.18,-4.79,;-4.84,-5.56,;-3.51,-4.79,;-2.04,-5.27,;-1.14,-4.02,;-2.04,-2.77,;-3.51,-3.25,;-4.84,-2.48,)|

OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1cccnc1)C(F)(F)F |r,wU:4.3,wD:7.10,(7.37,-10.27,;5.87,-10.59,;5.55,-9.09,;4.08,-8.61,;3.76,-7.1,;2.3,-6.63,;1.98,-5.12,;3.12,-4.09,;4.59,-4.57,;4.91,-6.07,;2.8,-2.58,;1.4,-1.96,;1.56,-.43,;3.06,-.11,;3.83,1.23,;5.37,1.23,;6.14,-.11,;7.65,-.43,;7.81,-1.96,;6.4,-2.58,;5.37,-1.44,;3.83,-1.44,;6.19,-12.1,;5.04,-13.13,;5.36,-14.64,;6.83,-15.11,;7.97,-14.08,;7.65,-12.57,;4.36,-10.91,;2.86,-11.23,;4.68,-12.42,;4.04,-9.41,)|

CSc1ccc(cc1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;4.74,1.2,;3.26,1.6,;2.86,3.08,;3.95,4.17,;5.43,3.77,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|

COc1ccc(cn1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;5.43,3.77,;3.95,4.17,;2.86,3.08,;3.26,1.6,;4.74,1.2,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|

COc1ccc(cc1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;4.74,1.2,;3.26,1.6,;2.86,3.08,;3.95,4.17,;5.43,3.77,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|

Fc1ccc(cc1)[C@@H]1C[C@H]1CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.20,7.7,wD:12.13,9.11,(6.83,7.68,;6.06,6.35,;6.83,5.02,;6.06,3.68,;4.52,3.68,;3.75,5.02,;4.52,6.35,;3.75,2.35,;2.66,3.44,;2.26,1.95,;1.17,.86,;-.32,1.26,;-1.4,.17,;-2.89,.57,;-3.98,-.52,;-3.58,-2.01,;-2.09,-2.41,;-1.01,-1.32,;-4.67,-3.1,;-6.2,-2.94,;-6.83,-4.34,;-5.68,-5.37,;-5.68,-6.91,;-4.35,-7.68,;-3.02,-6.91,;-1.55,-7.39,;-.65,-6.14,;-1.55,-4.9,;-3.02,-5.37,;-4.35,-4.6,)|

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N#Cc1ccc(CCN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(8.26,2.48,;6.78,2.88,;5.29,3.28,;4.2,2.19,;2.71,2.58,;2.31,4.07,;.83,4.47,;-.26,3.38,;-1.75,3.78,;-2.84,2.69,;-4.33,3.09,;-5.42,2,;-5.02,.51,;-3.53,.12,;-2.44,1.2,;-6.11,-.58,;-7.64,-.41,;-8.26,-1.82,;-7.12,-2.85,;-7.12,-4.39,;-5.79,-5.16,;-4.45,-4.39,;-2.99,-4.87,;-2.08,-3.62,;-2.99,-2.38,;-4.45,-2.85,;-5.79,-2.08,;3.4,5.16,;4.89,4.76,)|

C1CC1N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.11,wD:4.4,(4.35,2.98,;4.74,4.47,;3.26,4.07,;1.77,4.47,;.68,3.38,;-.81,3.78,;-1.9,2.69,;-1.5,1.2,;-.01,.81,;1.08,1.89,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|

N#CCN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,)|

N#CCCN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|

FC(F)(F)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:5.8,wD:2.1,(2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,;3.8,4.07,;5.29,4.47,;4.2,5.56,)|

CN(C)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|

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FC(F)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

FC(F)(F)C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:9.12,wD:6.5,(3.4,5.56,;3.8,4.07,;5.29,3.67,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,;3.11,1.5,;2.02,.41,;4.6,1.1,;3.51,.01,)|

OC[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;1.82,1.89,;.73,.81,;-.75,1.2,;-1.15,2.69,;-.06,3.78,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

O=C[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;1.82,1.89,;.73,.81,;-.75,1.2,;-1.15,2.69,;-.06,3.78,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|

OC1CN(C[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:8.11,5.4,(5.8,2.92,;4.31,3.32,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;.03,1.71,;-1.06,.62,;-2.55,1.02,;-2.95,2.51,;-1.86,3.6,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|

O[C@H]1CCN(C[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,6.5,1.0,(5.85,5.04,;4.52,4.27,;4.52,2.73,;3.05,2.26,;2.15,3.5,;.66,3.9,;-.43,2.81,;-.03,1.32,;-1.12,.24,;-2.61,.63,;-3,2.12,;-1.92,3.21,;-3.69,-.46,;-5.23,-.29,;-5.85,-1.7,;-4.71,-2.73,;-4.71,-4.27,;-3.37,-5.04,;-2.04,-4.27,;-.58,-4.75,;.33,-3.5,;-.58,-2.26,;-2.04,-2.73,;-3.37,-1.96,;3.05,4.75,)|

O[C@@H]1CCN(C[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,6.5,wD:1.0,(5.85,5.04,;4.52,4.27,;4.52,2.73,;3.05,2.26,;2.15,3.5,;.66,3.9,;-.43,2.81,;-.03,1.32,;-1.12,.24,;-2.61,.63,;-3,2.12,;-1.92,3.21,;-3.69,-.46,;-5.23,-.29,;-5.85,-1.7,;-4.71,-2.73,;-4.71,-4.27,;-3.37,-5.04,;-2.04,-4.27,;-.58,-4.75,;.33,-3.5,;-.58,-2.26,;-2.04,-2.73,;-3.37,-1.96,;3.05,4.75,)|

C(NC1CC1)[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.12,5.5,(1.22,3.38,;2.71,2.98,;3.8,4.07,;5.29,4.47,;4.2,5.56,;.14,2.29,;.53,.81,;-.55,-.28,;-2.04,.12,;-2.44,1.6,;-1.35,2.69,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

FC(F)(F)CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(=O)CC#N |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,;2.37,1.89,;1.28,.81,;3.85,1.5,;4.25,.01,;4.65,-1.48,)|

O=C(CC#N)N(CC#N)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(1.28,1.15,;2.37,2.24,;3.85,1.84,;4.25,.35,;4.65,-1.13,;1.97,3.73,;3.06,4.82,;4.55,4.42,;6.03,4.02,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|

O=C(CC#N)N(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:10.13,wD:7.6,(1.97,.41,;3.06,1.5,;4.55,1.1,;4.94,-.39,;5.34,-1.88,;2.66,2.98,;1.17,3.38,;.08,2.29,;-1.41,2.69,;-2.49,1.6,;-2.1,.12,;-.61,-.28,;.48,.81,;-3.18,-.97,;-4.72,-.81,;-5.34,-2.22,;-4.2,-3.25,;-4.2,-4.79,;-2.86,-5.56,;-1.53,-4.79,;-.07,-5.27,;.84,-4.02,;-.07,-2.77,;-1.53,-3.25,;-2.86,-2.48,;3.75,4.07,;5.24,4.47,;4.15,5.56,)|

Cc1ccc(CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C(=O)CC#N)o1 |r,wU:11.14,wD:8.7,(7.14,5.39,;5.81,4.62,;5.81,3.08,;4.34,2.6,;3.44,3.85,;1.95,4.25,;.86,3.16,;-.63,3.56,;-1.72,2.47,;-3.2,2.86,;-4.29,1.78,;-3.89,.29,;-2.41,-.11,;-1.32,.98,;-4.98,-.8,;-6.51,-.64,;-7.14,-2.05,;-6,-3.08,;-6,-4.62,;-4.66,-5.39,;-3.33,-4.62,;-1.86,-5.09,;-.96,-3.85,;-1.86,-2.6,;-3.33,-3.08,;-4.66,-2.31,;1.26,1.67,;.17,.58,;2.75,1.27,;3.15,-.22,;3.54,-1.7,;4.34,5.09,)|

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FC(F)(F)CN(CC1CC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,(4.94,.15,;3.46,.55,;2.37,-.54,;3.85,-.93,;3.06,2.04,;1.57,2.44,;1.17,3.93,;2.26,5.02,;3.75,5.41,;2.66,6.5,;.48,1.35,;-1.01,1.75,;-2.1,.66,;-1.7,-.83,;-.21,-1.23,;.88,-.14,;-2.79,-1.92,;-4.32,-1.76,;-4.94,-3.16,;-3.8,-4.19,;-3.8,-5.73,;-2.47,-6.5,;-1.13,-5.73,;.33,-6.21,;1.24,-4.96,;.33,-3.72,;-1.13,-4.19,;-2.47,-3.42,)|

N#CCN(CC1CC1)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;2.37,2.24,;3.85,1.84,;4.94,.75,;5.34,2.24,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|

FC(F)(F)CN(CC1CC1)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:14.18,wD:11.11,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;2.37,1.89,;1.28,.81,;-.21,.41,;.88,-.68,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|

OS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(4.42,4.82,;3.33,3.73,;2.94,2.24,;4.67,2.96,;1.85,4.13,;.76,3.04,;-.73,3.44,;-1.82,2.35,;-1.42,.86,;.07,.46,;1.16,1.55,;-2.51,-.23,;-4.04,-.07,;-4.67,-1.48,;-3.52,-2.51,;-3.52,-4.05,;-2.19,-4.82,;-.86,-4.05,;.61,-4.52,;1.51,-3.28,;.61,-2.03,;-.86,-2.51,;-2.19,-1.74,)|

O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NC1CC1 |r,wU:7.10,wD:4.3,(1.57,2.24,;1.97,3.73,;3.3,2.96,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,;3.06,4.82,;4.55,4.42,;5.63,3.33,;6.03,4.82,)|

CN(C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;2.31,1.5,;4.05,2.21,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:7.10,wD:4.3,(1.22,1.35,;1.62,2.84,;2.96,2.07,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|

FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.03,1.15,;2.76,1.87,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|

FC(F)(F)COC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:13.16,wD:10.9,(6.39,-.45,;6,1.04,;7.08,2.13,;7.48,.64,;4.51,1.44,;4.11,2.92,;2.62,3.32,;1.29,2.55,;.52,3.89,;-.97,4.29,;-2.06,3.2,;-3.55,3.6,;-4.63,2.51,;-4.24,1.02,;-2.75,.62,;-1.66,1.71,;-5.33,-.07,;-6.86,.09,;-7.48,-1.32,;-6.34,-2.35,;-6.34,-3.89,;-5,-4.66,;-3.67,-3.89,;-2.21,-4.36,;-1.3,-3.12,;-2.21,-1.87,;-3.67,-2.35,;-5,-1.58,;1.85,4.66,)|

CC1(O)CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(5.72,4.09,;4.39,3.32,;5.16,1.99,;3.05,2.55,;2.28,3.89,;.79,4.29,;-.29,3.2,;-1.78,3.6,;-2.87,2.51,;-2.47,1.02,;-.98,.62,;.1,1.71,;-3.56,-.07,;-5.09,.09,;-5.72,-1.32,;-4.57,-2.35,;-4.57,-3.89,;-3.24,-4.66,;-1.91,-3.89,;-.44,-4.36,;.46,-3.12,;-.44,-1.87,;-1.91,-2.35,;-3.24,-1.58,;3.62,4.66,)|

CN(C)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,wD:7.6,(6.34,4.01,;5.25,2.92,;5.65,1.44,;3.76,3.32,;2.43,2.55,;1.66,3.89,;.17,4.29,;-.92,3.2,;-2.4,3.6,;-3.49,2.51,;-3.09,1.02,;-1.61,.62,;-.52,1.71,;-4.18,-.07,;-5.71,.09,;-6.34,-1.32,;-5.2,-2.35,;-5.2,-3.89,;-3.86,-4.66,;-2.53,-3.89,;-1.06,-4.36,;-.16,-3.12,;-1.06,-1.87,;-2.53,-2.35,;-3.86,-1.58,;2.99,4.66,)|

CCN(C)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:11.14,wD:8.7,(7.08,3.61,;5.6,4.01,;4.51,2.92,;4.91,1.44,;3.02,3.32,;1.69,2.55,;.92,3.89,;-.57,4.29,;-1.66,3.2,;-3.15,3.6,;-4.24,2.51,;-3.84,1.02,;-2.35,.62,;-1.26,1.71,;-4.93,-.07,;-6.46,.09,;-7.08,-1.32,;-5.94,-2.35,;-5.94,-3.89,;-4.61,-4.66,;-3.27,-3.89,;-1.81,-4.36,;-.9,-3.12,;-1.81,-1.87,;-3.27,-2.35,;-4.61,-1.58,;2.25,4.66,)|

OC1(CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1)C(F)(F)F |r,wU:8.11,wD:5.4,(4.49,1.5,;3.72,2.83,;2.39,2.06,;1.62,3.4,;.13,3.8,;-.96,2.71,;-2.45,3.11,;-3.54,2.02,;-3.14,.53,;-1.65,.13,;-.56,1.22,;-4.23,-.56,;-5.76,-.4,;-6.39,-1.8,;-5.24,-2.83,;-5.24,-4.37,;-3.91,-5.14,;-2.57,-4.37,;-1.11,-4.85,;-.2,-3.6,;-1.11,-2.36,;-2.57,-2.83,;-3.91,-2.06,;2.95,4.17,;5.05,3.6,;6.39,2.83,;5.05,5.14,;6.39,4.37,)|

FC(F)(F)CNC(=O)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:15.18,wD:12.11,(8.37,3.54,;6.89,3.94,;6.49,5.42,;7.97,5.03,;5.8,2.85,;4.31,3.25,;3.22,2.16,;3.62,.67,;1.73,2.56,;.4,1.79,;-.37,3.12,;-1.86,3.52,;-2.95,2.43,;-4.44,2.83,;-5.52,1.74,;-5.13,.25,;-3.64,-.15,;-2.55,.94,;-6.21,-.84,;-7.75,-.68,;-8.37,-2.08,;-7.23,-3.11,;-7.23,-4.65,;-5.89,-5.42,;-4.56,-4.65,;-3.1,-5.13,;-2.19,-3.88,;-3.1,-2.64,;-4.56,-3.11,;-5.89,-2.34,;.96,3.89,)|

CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;4.2,5.56,;2.71,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|

CC(C)(C)OC(=O)N1CC(CC#N)(C1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:19.23,wD:16.16,(7.97,3.8,;6.89,2.71,;7.28,1.22,;8.37,2.31,;5.4,3.11,;4.31,2.02,;4.71,.53,;2.82,2.42,;1.49,1.65,;.72,2.98,;.32,4.47,;1.41,5.56,;2.5,6.65,;2.05,3.75,;-.37,1.89,;-1.86,2.29,;-2.95,1.2,;-4.44,1.6,;-5.52,.51,;-5.13,-.97,;-3.64,-1.37,;-2.55,-.28,;-6.21,-2.06,;-7.75,-1.9,;-8.37,-3.31,;-7.23,-4.34,;-7.23,-5.88,;-5.89,-6.65,;-4.56,-5.88,;-3.1,-6.35,;-2.19,-5.11,;-3.1,-3.86,;-4.56,-4.34,;-5.89,-3.57,)|

ON=C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,w:1.0,wU:6.9,wD:3.2,(4.55,4.82,;3.46,3.73,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|

N#C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(3.8,5.02,;2.71,3.93,;1.62,2.84,;.14,3.24,;-.95,2.15,;-.55,.66,;.93,.26,;2.02,1.35,;-1.64,-.43,;-3.18,-.27,;-3.8,-1.68,;-2.66,-2.71,;-2.66,-4.25,;-1.32,-5.02,;.01,-4.25,;1.48,-4.72,;2.38,-3.48,;1.48,-2.23,;.01,-2.71,;-1.32,-1.94,)|

N#CC(=C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C#N |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,;3.31,1.7,;3.71,.21,)|

N#CC(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C#N |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,;3.31,1.7,;3.71,.21,)|

C=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

N#CC=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.74,3.67,;3.26,4.07,;1.77,4.47,;.68,3.38,;1.08,1.89,;-.01,.81,;-1.5,1.2,;-1.9,2.69,;-.81,3.78,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|

N#CC[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,3.2,(4.74,3.67,;3.26,4.07,;1.77,4.47,;.68,3.38,;1.08,1.89,;-.01,.81,;-1.5,1.2,;-1.9,2.69,;-.81,3.78,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|

N#CC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.74,3.67,;3.26,4.07,;1.77,4.47,;.68,3.38,;-.81,3.78,;-1.9,2.69,;-1.5,1.2,;-.01,.81,;1.08,1.89,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|

CCOC(=O)C=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

CC(C#N)=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12

CCOC(=O)CC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;2.57,1.89,;.68,3.78,;-.41,2.69,;-.01,1.2,;-1.1,.12,;-2.59,.51,;-2.98,2,;-1.9,3.09,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|

CC(C#N)[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,4.3,(1.37,5.21,;1.77,3.73,;3.26,3.33,;4.74,2.93,;.68,2.64,;1.08,1.15,;-.01,.06,;-1.5,.46,;-1.9,1.95,;-.81,3.04,;-2.59,-.63,;-4.12,-.47,;-4.74,-1.87,;-3.6,-2.9,;-3.6,-4.44,;-2.27,-5.21,;-.93,-4.44,;.53,-4.92,;1.44,-3.67,;.53,-2.43,;-.93,-2.9,;-2.27,-2.13,)|

CC(C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(1.37,5.21,;1.77,3.73,;3.26,3.33,;4.74,2.93,;.68,2.64,;-.81,3.04,;-1.9,1.95,;-1.5,.46,;-.01,.06,;1.08,1.15,;-2.59,-.63,;-4.12,-.47,;-4.74,-1.87,;-3.6,-2.9,;-3.6,-4.44,;-2.27,-5.21,;-.93,-4.44,;.53,-4.92,;1.44,-3.67,;.53,-2.43,;-.93,-2.9,;-2.27,-2.13,)|

N#C\C=C\[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,)|

N#CCC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,)|

FC(F)(F)CNC(=O)C[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.82,1.15,;-.06,3.04,;-1.15,1.95,;-.75,.46,;-1.84,-.63,;-3.33,-.23,;-3.73,1.26,;-2.64,2.35,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|

FC(F)(F)CNC(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.82,1.15,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|

O=C(C[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:6.9,3.2,(2.02,1.35,;1.62,2.84,;.14,3.24,;-.95,2.15,;-.55,.66,;-1.64,-.43,;-3.13,-.03,;-3.53,1.46,;-2.44,2.55,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|

O=C(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:6.9,wD:3.2,(2.02,1.35,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|

N#CC1CC11CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.94,2.78,;3.46,3.18,;1.97,3.58,;.88,4.67,;.48,3.18,;.88,1.7,;-.21,.61,;-1.7,1.01,;-2.1,2.49,;-1.01,3.58,;-2.79,-.08,;-4.32,.08,;-4.94,-1.33,;-3.8,-2.36,;-3.8,-3.9,;-2.47,-4.67,;-1.13,-3.9,;.33,-4.38,;1.24,-3.13,;.33,-1.88,;-1.13,-2.36,;-2.47,-1.59,)|

OC12CC3CC(C1)CC(C3)(C2)c1nnn2cnc3[nH]ccc3c12 |TLB:11:8:4:2.1.6,THB:7:8:2:4.5.6,7:5:2:8.10.9,10:8:4:2.1.6,10:1:4:8.7.9|

CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1

CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N

C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r|

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

CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r|

CN(C)C\C=C\C(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,(5.41,-.16,;4.32,-1.25,;4.72,-2.74,;2.83,-.85,;1.74,-1.94,;.25,-1.54,;-.84,-2.63,;-.44,-4.12,;-2.32,-2.23,;-2.72,-.74,;-1.63,.35,;-2.03,1.83,;-3.52,2.23,;-4.61,1.14,;-4.21,-.35,;-3.92,3.72,;-3.01,4.96,;-3.92,6.21,;-3.44,7.68,;-4.47,8.82,;-4,10.28,;-2.49,10.6,;-2.01,12.07,;-3.05,13.21,;-4.55,12.89,;-5.58,14.04,;-5.11,15.5,;-3.6,15.82,;-2.57,14.68,;-1.46,9.46,;-1.94,8,;-5.38,5.73,;-6.72,6.5,;-6.72,8.04,;-8.05,5.73,;-8.05,4.19,;-6.72,3.42,;-5.38,4.19,)|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CN(C)CC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:10.9.8:13.12.14|

Cc5cc(Nc4cc1ncccc1c(N[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C(F)F)n4)n[nH]5

COCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:10.9:13.12.14|

CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:8.7:11.10.12|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3ccccc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:12.11.13:7.9.8|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

CC(C)COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CO)ccc12 |r,TLB:5:7:10.9:13.12.14|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|

CNC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:9.8.7:12.11.13|

COC(=O)N1[C@@H]2CC[C@H]1C[C@H](Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2

COC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:8.7:11.10.12|

COC(=O)CCCN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:7:10.9:13.12.14|

CC(C)OC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:7:10.9:13.12.14|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)OC(C)(C)C)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(N)=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CNC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:8.7:11.10.12|

CN(C)C(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:6:9.8:12.11.13|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)N[C@@H]3CCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)N[C@H]3CCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CC(C)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:4:7.6:10.9.11|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

COCCCN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:8.7:11.10.12|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3cccnc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccc(O)cc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3cccc(O)c3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3CCOCC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CC(CC#N)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:1:5:8.7:11.10.12|

CCC(CC#N)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:6:9.8:12.11.13|

CC(CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12)C#N |r,TLB:2:3:6.5:9.8.10|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3(CC3)C#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3(CC#N)COC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4[C@@H]3CCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4[C@H]3CCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCOC3=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CCC(=O)O3)n2)n[nH]1 |r,TLB:23:22:19.18:16.15.21|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3COC(=O)O3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

COC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:12.11.13:7.9.8|

COC(=O)CCN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:6:13.12.14:8.10.9|

COC(=O)CCCN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:7:14.13.15:9.11.10|

CC(C)OC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:7:14.13.15:9.11.10|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(=O)OC(C)(C)C)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(N)=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

CN(C)C(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:6:13.12.14:8.10.9|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCF)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCCF)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(=O)N[C@@H]3CCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(=O)N[C@H]3CCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

CC(C)CN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:4:11.10.12:6.8.7|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC(F)(F)F)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

COCCCN1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:5:12.11.13:7.9.8|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3cccnc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3cccc(O)c3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccc(O)cc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4[C@@H]3CCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4[C@H]3CCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C3CCCOC3=O)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3cncc(c3)C#N)n2)n[nH]1 |THB:24:23:18.19.20:15.16.22|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccnc(c3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C[C@H]3CCC(=O)O3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC3COC(=O)O3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|

CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:4:7.6:10.9.11|

Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4C(=O)CCF)n2)n[nH]1

CC(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:5:8.7:11.10.12|

CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:9.8:12.11.13|

CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:9.8:12.11.13|

CCCC(SC)C(=O)N1[C@@H]2CC[C@H]1C[C@H](Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(CC3)C(=O)C(F)(F)F)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(CC3)C(=O)C#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

COC(=O)C1(CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:7:9:12.11:15.14.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(C)CCCC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)Cc3ccccc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccccc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccncc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccnc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:4:11.10.12:8.6.7|

CC(SO)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:13.12.14:10.8.9|

CCOCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:13.12.14:10.8.9|

CCC(SC)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C3(CC3)C(=O)C(F)(F)F)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C3(CC3)C(=O)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

COC(=O)C1(CC1)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:7:9:16.15.17:13.11.12|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C(C)(C)CO)n2)n[nH]1 |TLB:24:23:18.19.20:22.15.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C3(C)CCCC3)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)Cc3ccccc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccccc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3cncc(c3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CCCC#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccc(nc3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

CC(CC#N)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccnc(c3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

CC(C)CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:5:8.7:11.10.12|

CC(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:6:9.8:12.11.13|

CC(C)COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:10.9:13.12.14|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

COCCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:10.9:13.12.14|

CCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:5:12.11.13:9.7.8|

CC(C)COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

COCCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC3CC3)n2)n[nH]1 |TLB:24:23:18.19.20:22.15.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|

CCC(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:11.10.9:14.13.15|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC3CCCCO3)n2)n[nH]1 |TLB:24:23:18.19.20:22.15.16|

Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)CCC#N)n2)n[nH]1

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CC(C)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:6:9.8:12.11.13|

CC(C)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:10.9:13.12.14|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3CC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3CCCC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:8:11.10:14.13.15|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3(C)CC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3CNC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CCN1CC(C1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:6:9:12.11:15.14.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3CN(CCC#N)C3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

COCC1CCCN1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:8:11:14.13:17.16.18|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)Cc3ccccc3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3ccccn3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

CC(C)CS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:11.10.9:14.13.15|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)C3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:11.10.9:14.13.15|

CCC1(CC1)S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:8:12.11.10:15.14.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)C3CNC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)CC=C)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)CC3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)Cc3ccccc3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4S(=O)(=O)c3cnccc3C)n2)n[nH]1

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)Cc3cccnc3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

COCC1CCCN1S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |TLB:8:11:13.14.15:17.18.19|

Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(C)C)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(CC3)C(F)(F)F)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|

COc1ccc2c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:17:16:13.12.11:8.15.9|

Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:25:24:21.20:18.17.23|

Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|

Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)n2)n[nH]1 |r,TLB:25:24:21.20:18.17.23|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|

CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:2:5:8.7:11.10.12|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|

CC(C)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:3:4:7.6:10.9.11|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|

CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:2:5:9.8.7:12.11.13|

COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:4:7:11.10.9:14.13.15|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4c3cccnc3)n2)n[nH]1

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4N3CCC3)n2)n[nH]1

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|

Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|

Cc1cc(Nc2cc3nc(CN4CCC(F)(F)CC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:32:31:28.27:24.30.25|

CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCC(F)(F)CC3)ccc12 |r,TLB:5:8:11.10:14.13.15|

Cc1cc(Nc2cc3nc(CN4CCC(F)(F)CC4)ccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC(F)(F)F)n2)n[nH]1

Cc1cc(Nc2cc3nc(CN4CCC(F)(F)CC4)ccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC(C)C)n2)n[nH]1

Cc1cc(Nc2cc3nc(CN4CCN(C)CC4)ccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC(F)(F)F)n2)n[nH]1

CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCN(C)CC3)ccc12 |THB:5:8:10.11:13.14.15|

CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5CCC#N)nc(Nc4cc(C)[nH]n4)cc3n2)CC1 |r,TLB:20:19:16.15:12.18.13|

CC(C)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCN(C)CC3)ccc12 |r,TLB:3:4:7.6:10.9.11|

CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5S(=O)(=O)N4CCC4)nc(Nc4cc(C)[nH]n4)cc3n2)CC1 |r,TLB:20:19:16.15:12.18.13|

CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5S(=O)(=O)c4cncc(F)c4)nc(Nc4cc(C)[nH]n4)cc3n2)CC1 |r,TLB:20:19:16.15:12.18.13|

Cc1cc(Nc2cc3nc(CS(C)(=O)=O)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)n2)n[nH]1 |r,TLB:28:27:24.23:20.26.21|

C=S(C)(=O)Cc1ccc2c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCCF)nc(Nc3cc(C)[nH]n3)cc2n1

C=S(C)(=O)Cc1ccc2c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC(F)(F)F)nc(Nc3cc(C)[nH]n3)cc2n1

Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|

Cc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3cccnc3)c2c1

CC(C)COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(C)cc12 |r,TLB:5:7:10.9:13.12.14|

Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|

Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|

Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:25:24:21.20.19:16.23.17|

CC(C)COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(C)cc12 |r,TLB:5:7:11.10.9:14.13.15|

Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |THB:25:24:19.20.21:16.17.23|

Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:25:24:21.20.19:16.23.17|

Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1 |r,TLB:25:24:21.20.19:16.23.17|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(C)C)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CCCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3(CC3)C#N)c2c1 |r,TLB:26:25:22.21:18.24.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)Cc3ccncc3)c2c1 |r,TLB:26:25:19.18.24:22.21|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC(C)C)c2c1 |r,TLB:26:25:22.21:19.18.24|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCCF)c2c1 |r,TLB:27:26:23.22.21:18.25.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C(C)SO)c2c1 |THB:27:26:21.22.23:18.19.25|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)c2c1 |r,TLB:27:26:23.22.21:18.25.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)c2c1 |r,TLB:27:26:23.22.21:18.25.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CN(C)C)c2c1 |r,TLB:27:26:23.22.21:18.25.19|

COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)c2c1 |r,TLB:27:26:23.22.21:18.25.19|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c2c1 |r,TLB:28:27:24.23:20.26.21|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c2c1 |r,TLB:28:27:24.23:20.26.21|

CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:2:5:8.7:11.10.12|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|

CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:2:4:7.6:10.9.11|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(F)F)c2c1 |r,TLB:28:27:21.20.26:24.23|

CCC(SC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:5:7:10.9:14.13.12|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN(C)C)c2c1 |r,TLB:28:27:24.23:20.26.21|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC=C)c2c1 |r,TLB:28:27:24.23:20.26.21|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)OC(C)C)c2c1 |r,TLB:28:27:24.23:20.26.21|

CNC(=O)CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)C(=O)OC |r,TLB:4:5:8.7:11.10.12|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)c2c1 |r,TLB:28:27:24.23:20.26.21|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)c2c1 |r,TLB:28:27:24.23:20.26.21|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)c2c1 |r,TLB:28:27:24.23:20.26.21|

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CCC(=O)O3)c2c1 |r,TLB:28:27:24.23:20.26.21|

COC(=O)c1ccc2c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1

COC(=O)c1ccc2c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C3CCCOC3=O)nc(Nc3cc(C)[nH]n3)cc2n1

COC(=O)c1ccc2c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C[C@H]3CCC(=O)O3)nc(Nc3cc(C)[nH]n3)cc2n1

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CC#N)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(F)F)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

CCC(SC)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncc(cc12)S(C)(=O)=O |r,TLB:2:5:8.7:12.11.10|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCCF)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4[C@@H]3CCOC3=O)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4[C@H]3CCOC3=O)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccncc3)n2)S(C)(=O)=O)n[nH]1 |r,TLB:23:22:19.18:15.21.16|

Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)S(C)(=O)=O)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|

COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OCC(C)C)c12 |r,TLB:27:26:23.22:19.25.20|

CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nccc(OC)c12 |r,TLB:2:5:8.7:11.10.12|

COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN(C)C)c12 |r,TLB:27:26:23.22:19.25.20|

CCC(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nccc(OC)c12 |r,TLB:4:6:9.8:12.11.13|

COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(F)F)c12 |r,TLB:27:26:23.22:19.25.20|

COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c12 |r,TLB:27:26:23.22:19.25.20|

COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)c12 |r,TLB:27:26:23.22:19.25.20|

COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)F)c12 |r,TLB:27:26:23.22:19.25.20|

COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)c12 |r,TLB:27:26:23.22:19.25.20|

COc1ccnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3(CC#N)COC3)c12 |TLB:27:26:22.23:19.20.25|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|

CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:2:5:8.7:11.10.12|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cccnc3)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)c3cccnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)Cc3ccncc3)c3cccnc3c2F)n[nH]1 |THB:17:16:12.13:15.9.10|

CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:4:6:9.8:12.11.13|

CC(SO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:4:6:9.8:12.11.13|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:14.13.12:10.9.16|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3ccccc3)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:14.13.12:10.9.16|

Cc6cc(Nc5nc(N[C@@H]1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c3cccnc3)c4cccnc4c5F)n[nH]6

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)Cc3ccncc3)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|

CC(SO)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)c(F)c2ncccc12 |r,TLB:4:6:10.9.8:14.13.12|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)c3cccnc3)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|

Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1

Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1

Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1 |(3.63,-2.93,;2.09,-2.93,;1.18,-4.18,;-.28,-3.7,;-1.62,-4.47,;-2.95,-3.7,;-4.28,-4.47,;-5.62,-3.7,;-5.62,-2.16,;-6.95,-1.39,;-4.28,-1.39,;-4.28,.15,;-2.95,.92,;-1.62,.15,;-.28,.92,;-.28,2.46,;-.28,4,;1.18,4.47,;2.09,3.23,;1.18,1.98,;3.58,2.83,;4.66,3.92,;3.97,1.34,;5.46,.94,;6.95,.54,;-1.62,3.23,;-2.95,2.46,;-2.95,-2.16,;-.28,-2.16,;1.18,-1.69,)|

CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1

Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1

CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ccc(cn3)C#N)c2n1

CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)c1ccc(cn1)C#N

C[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1

C[C@@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ccc(cn3)C#N)c2n1

C[C@@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)c1ncc(cn1)C#N

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)c1nnc(s1)C(F)(F)F

C[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ccc(cn3)C#N)c2n1

CC(C)n1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1

COC[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)c1ncc(cn1)C#N

CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1

CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ccc(cn3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C[C@H](O)C(F)(F)F)c1)C(N)=O)c1ccc(cn1)C#N

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CC1)C#N

CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CCC1)C#N

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC(C)(C)O)c1)C(N)=O)C(=O)C1(CC1)C#N

C[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(COC1)C#N

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccnn1C)C(N)=O)C(=O)C1(CC1)C#N

COC[C@H](O)Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1c(C)nn(C)c1C)C(N)=O)C(=O)C1(CC1)C#N |r|

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C[C@@H](O)C(F)(F)F)c1)C(N)=O)C(=O)C1(CC1)C#N

CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3C)C(=O)C3(CC3)C#N)c2n1

CC(C)n1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccc2n(C)ncc2c1)C(N)=O)C(=O)C1(CC1)C#N

COc1ccc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)C(=O)C3(CC3)C#N)c2n1

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccnc(C)c1)C(N)=O)C(=O)C1(CC1)C#N

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1c(C)nn(C)c1C)C(N)=O)C(=O)C(C)(C)C#N

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)C(=O)C(C)(C)C#N

C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(c1)C1CC1)C(N)=O)C(=O)C1(CC1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC)c1)C(N)=O)C(=O)C1(CC1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC)c1)C(N)=O)C(=O)C1(CCC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CCC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)C(=O)C1(CC1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1ccc2ncccc2c1)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccnc(C)c1)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccc2n(C)ncc2c1)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1c(C)nn(C)c1C)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccnn1C)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cn(CC(C)(C)O)nc1C)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(c1)C1CC1)C(N)=O)C(=O)C1(CC1)C#N

CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3CC)C(=O)C3(CC3)C#N)c2n1

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1ccn(C)n1)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1sc(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(c1)C(C)C)C(N)=O)C(=O)C1(CC1)C#N

CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)c1ccc(cn1)C#N

CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)c2n1

Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)c2n1

CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC)c1)C(N)=O)c1ccc(nn1)C#N

CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3CF)C(=O)C3(CC3)C#N)c2n1

Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1

CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3CF)C(=O)C3(CC3)C#N)c2n1

CC(C)n1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1

NC(=O)c1cnn2cc(nc2c1N[C@@H]1CN(C[C@@H]1CF)C(=O)C1(CC1)C#N)-c1cnn(c1)C1CC1

NC(=O)c1cnn2cc(nc2c1N[C@@H]1CN(C[C@@H]1CF)C(=O)C1(CC1)C#N)-c1cnn(c1)C(F)F

Cn1ncc2cc(ccc12)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1

Cc1cc(ccn1)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1

NC(=O)c1cnn2cc(nc2c1N[C@@H]1CN(C[C@@H]1CF)C(=O)C1(CC1)C#N)-c1ccc2CC(=O)Nc2c1

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(c1)C(F)F)C(N)=O)C(=O)C1(CC1)C#N

CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(C[C@H](O)C(F)(F)F)c1)C(N)=O)C(=O)C1(CC1)C#N