Compound Name

SMILES String

Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O

Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(F)(F)F

Cc1nn(C)c2n(O)c3ccc(Br)cc3c(=O)c12

Cn1nc(c2c1n(O)c1ccc(Cl)c(Cl)c1c2=O)C(F)(F)F

Cn1nc(c2c1n(O)c1cc(Cl)c(Cl)cc1c2=O)C(F)(F)F

COc1cc(Cl)cc2c1n(O)c1n(C)nc(c1c2=O)C(F)(F)F

CN(C)c1cc2n(O)c3n(C)nc(c3c(=O)c2cc1Cl)C(F)(F)F

Cc1nn(C)c2n(O)c3ccccc3c(=O)c12

Cc1nn(C)c2n(O)c3ccc(cc3c(=O)c12)-c1ccccc1

Cc1nn(C)c2n(O)c3ccc(cc3c(=O)c12)-c1cc[nH]n1

COn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12

CCOn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12

CCCOn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12

CC(C)On1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12

Cc1nn(C)c2n(OC3CCCC3)c3ccc(Cl)cc3c(=O)c12

Cc1nn(C)c2n(OCc3ccccc3)c3ccc(Cl)cc3c(=O)c12

Cc1nn(C)c2nc3ccc(Cl)cc3c(O)c12

CCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

CCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

CCCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

CC(C)c1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(C)(C)C

COC(=O)c1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

Cn1nc(-c2ccc(N)cc2)c2c1n(O)c1ccc(Cl)cc1c2=O

COCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

Cn1nc(CCC(O)=O)c2c1n(O)c1ccc(Cl)cc1c2=O

Cn1nc(CCCC(O)=O)c2c1n(O)c1ccc(Cl)cc1c2=O

Cn1nc(CCN)c2c1n(O)c1ccc(Cl)cc1c2=O

CNC(=O)CCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

CC(=O)NCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

CCNC(=O)NCCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

CCOC(=O)NCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

Cc1nn(CC(O)=O)c2n(O)c3ccc(Cl)cc3c(=O)c12

CCOC(=O)Cn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O

CNC(=O)Cn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O

Cc1nn(CCO)c2n(O)c3ccc(Cl)cc3c(=O)c12

CCn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O

Cc1nn(-c2ccccc2)c2n(O)c3ccc(Cl)cc3c(=O)c12

Cn1n2c(CCNC2=O)c2c1[n+]([O-])c1ccc(Cl)cc1c2=O

CCOc1nc(NC(C)=O)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N

CCOc1nc(cc(N)c1C#N)C(=O)NCc1cc(OC)ccc1OC

CCOc1nc(NCc2cc(OC)ccc2OC)cc(N)c1C#N

CCOc1nc(cc(N)c1C#N)C(=O)NC

CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1

CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1S(N)(=O)=O

CCOc1nc(cc(N)c1C#N)C(=O)NCc1cccnc1

CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(nc1)-c1ccc(cc1)C(O)=O

CCOc1nc(cc(N)c1C#N)C(=O)N(C)Cc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CC(C)Oc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(Cl)n2)cc1

CCOc1nc(ccc1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N

CCCCC(=O)Nc1cc(N)c(C#N)c(OCC)n1

CCOc1nc(NC(=O)C(C)C)cc(N)c1C#N

CCOc1nc(NC(=O)CC(C)C)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2ccccc2Cl)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2cccc(Cl)c2)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2ccc(Cl)cc2)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2ccccc2C)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2cccc(C)c2)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2ccc(C)cc2)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2ccccc2OC)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2cccc(OC)c2)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2ccc(OC)cc2)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2cc(C)ccc2C)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2cc(Br)ccc2Br)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2cc(OC)c(NC(C)=O)cc2OC)cc(N)c1C#N

CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N

CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N

CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)[N+]([O-])=O)cc(N)c1C#N

CCOc1nc(NC(=O)OC)cc(N)c1C#N

CCNC(=O)Nc1cc(N)c(C#N)c(OCC)n1

CCOc1nc(NCCc2cc(OC)ccc2OC)cc(N)c1C#N

CCOc1nc(NC(=O)CN(CC)CC)cc(N)c1C#N

CCCCN(CCCC)CC(=O)Nc1cc(N)c(C#N)c(OCC)n1

CCCCNCC(=O)Nc1cc(N)c(C#N)c(OCC)n1

CCCN(CCO)CC(=O)Nc1cc(N)c(C#N)c(OCC)n1

CCOc1nc(NC(=O)CN2CCCCC2)cc(N)c1C#N

CCOc1nc(NC(=O)CN2CCOCC2)cc(N)c1C#N

CCOc1nc(NC(=O)CN2CCC(O)CC2)cc(N)c1C#N

CCCCNC(=O)C1CCN(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)CC1

CCOc1nc(NC(=O)CN2CCC(CC2)C(=O)NC(C)C)cc(N)c1C#N

COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(Br)n2)c1

CC(C)Oc1nc(NC(C)=O)cc(N)c1C#N

COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O

CN(C)CCOc1nc(NC(C)=O)cc(N)c1C#N

CC(=O)Nc1cc(N)c(C#N)c(OCCC(O)=O)n1

CC(=O)Nc1cc(N)c(C#N)c(OC2CCOC2)n1

CCCCOc1nc(NC(C)=O)cc(N)c1C#N

COc1nc(NC(C)=O)cc(N)c1C#N

COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCO)n2)c1

COCCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N

COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCS(C)(=O)=O)n2)c1

CCCCSc1nc(NC(C)=O)cc(N)c1C#N

CCNc1nc(NC(C)=O)cc(N)c1C#N

CC(C)Nc1nc(NC(C)=O)cc(N)c1C#N

CC(=O)Nc1cc(N)c(C#N)c(n1)-c1ccccc1

CCCc1nc(NC(C)=O)cc(N)c1C#N

COc1ccc(OC)c(CC(=O)Nc2cc(N)c(cn2)C#N)c1

CCOc1nc(NC(C)=O)cc(C)c1C#N

CCOc1cccc(NC(C)=O)n1

CCOc1cc(NC(C)=O)nc(N)c1C#N

CCCCC(=O)Nc1nc(OCC)c(C#N)c(N)c1Cl

CCCCC(=O)N(C)c1cc(N)c(C#N)c(OCC)n1

CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1Cl

CCCCOc1nccc(Nc2ccccc2C(O)=O)n1

c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O

CCOc1nccc(Nc2ccccc2C(O)=O)n1

CCCOc1nccc(Nc2ccccc2C(O)=O)n1

CCCCCOc1nccc(Nc2ccccc2C(O)=O)n1

CCCCCCOc1nccc(Nc2ccccc2C(O)=O)n1

CC(C)COc1nccc(Nc2ccccc2C(O)=O)n1

OC(=O)c1ccccc1Nc1ccnc(OCC2CCCCC2)n1

OC(=O)c1ccccc1Nc1ccnc(Oc2ccccc2)n1

CCCCNc1nccc(Nc2ccccc2C(O)=O)n1

OC(=O)c1ccccc1Nc1ccnc(NCc2ccccc2)n1

OC(=O)c1ccccc1Nc1ccnc(NC2CCCCC2)n1

OC(=O)c1ccccc1Nc1ccnc(n1)N1CCCCCC1

CCN(CC)c1nccc(Nc2ccccc2C(O)=O)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2O)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(O)cc2)n1

NC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2F)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(F)cc2)n1

Cc1cccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)c1

Cc1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1F

Cc1c(O)cccc1Nc1nccc(Nc2ccccc2C(O)=O)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(c2)C(F)(F)F)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)C(F)(F)F)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)[N+]([O-])=O)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1

OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3ncccc3c2)n1

OC(=O)c1cc2ccccc2cc1Nc1ccnc(Nc2ccccc2)n1

OC(=O)c1cc2ccccc2cc1Nc1ccnc(Nc2cccc(O)c2)n1

OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F

OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1F

OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Br

OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1Br

O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ncn[nH]1

Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12

Cc1nc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n(C)n1

COc1ccc(CC(=O)Nc2ccsc2-c2nc(C)n[nH]2)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2ncn[nH]2)cc1

COc1ccc(CC(=O)Nc2ccsc2-n2cncn2)cc1

COc1ccc(CC(=O)Nc2scc(C)c2-c2nc(C)n[nH]2)cc1

COc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C2CC2)cc1

CCc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc(OC)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C(C)(C)C)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C2CCCO2)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C(F)(F)F)cc1

Cc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1

Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12

COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)-c2ccncc2)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2nc(N)n[nH]2)cc1

Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1

O=C(CN1C(=O)CCc2ccccc12)Nc1sccc1-c1ncn[nH]1

Clc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1ncn[nH]1

Clc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1

O=C(Cc1ccc2OCCOc2c1)Nc1ccsc1-c1ncn[nH]1

Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1

Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc2OCCOc2c1

O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1ncn[nH]1

Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12

Cc1csc(NC(=O)Cc2cccc3nccnc23)c1-c1ncn[nH]1

Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12

Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1ncn[nH]1

Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1

Cc1csc(NC(=O)Cc2ccc(OCCn3ccnc3)cc2)c1-c1ncn[nH]1

Brc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1ncn[nH]1

Brc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1

Brc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1

O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1ncn[nH]1

O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1ncn[nH]1

Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc(cc1)N1CCCC1=O

Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1

O=C(Cc1cccc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1

FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1

Fc1ccc2N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)C(=O)CCc2c1

Fc1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1

Clc1ccc2CCC(=O)N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1

Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2cc1F

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1

Fc1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1

Cc1csc(n1)-c1sccc1NC(=O)Cc1cccc2cnccc12

O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1

O=C(CN1C(=O)CCc2cnccc12)Nc1ccsc1-c1cscn1

O=C(CN1C(=O)CCc2ccccc12)Nc1ccsc1-c1cscn1

COc1nc(cs1)-c1sccc1NC(=O)Cc1cccc2cnccc12

Clc1nc(cs1)-c1sccc1NC(=O)Cc1cccc2cnccc12

O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1nccs1

Cc1cnc(s1)-c1sccc1NC(=O)Cc1cccc2cnccc12

O=C(Cc1ccc(OCCCN2CCCCC2)cc1)Nc1ccsc1-c1cscn1

Cc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nc2ccccc2s1

COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1

O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1ncco1

COc1ccc(CC(=O)Nc2sccc2-c2noc(C)n2)cc1

O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1nnco1

COc1ccc(CC(=O)Nc2ccsc2-c2nnc(C)o2)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2nnc(o2)C(C)C)cc1

Cc1nnc(o1)-c1sccc1NC(=O)Cc1cccc2ccccc12

Cc1noc(n1)-c1c(C)csc1NC(=O)Cc1cccc2ccccc12

Cc1noc(n1)-c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1

Cc1noc(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12

O=C(Cc1cccc2cnccc12)Nc1scnc1-c1ncn[nH]1

Cn1ncnc1-c1ncsc1NC(=O)Cc1cccc2cnccc12

COc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1

COc1ccc(CC(=O)Nc2ccsc2-n2cc(C)cn2)cc1

O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1cc[nH]n1

Cn1ccc(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12

Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12

COc1ccc(CC(=O)Nc2sccc2-c2nn[nH]n2)cc1

COc1ccc(CC(=O)Nc2sccc2-c2nnn(C)n2)cc1

COCn1nnnc1-c1ccsc1NC(=O)Cc1ccc(OC)cc1

Cn1ccnc1-c1sccc1NC(=O)Cc1cccc2ccccc12

COc1ccc(CC(=O)Nc2ccsc2-c2cn(C)cn2)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]cn2)cc1

O=C(CN1C(=O)CCc2ccccc12)Nc1ccsc1-c1c[nH]cn1

COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]c(C)n2)cc1

Cc1nc(c[nH]1)-c1sccc1NC(=O)CN1C(=O)CCc2ccccc12

O=C(Cc1cccc2ccccc12)Nc1ccsc1-n1ccnc1

COc1ccc(CC(=O)Nc2ccsc2-c2cnccn2)cc1

O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1

O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1

Brc1csc(NC(=O)CN2C(=O)CCc3ccc(Br)cc23)c1-c1ncn[nH]1

Brc1csc(NC(=O)Cc2ccnc3ccccc23)c1-c1nnc[nH]1

Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2ccncc12

Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1ncn[nH]1

Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc12

FC(F)(F)c1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2cccnc2c1

FC(F)(F)c1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)cc2ncccc12

Brc1csc(NC(=O)Cn2c3cccnc3ccc2=O)c1-c1ncn[nH]1

Brc1csc(NC(=O)CN2C(=O)CCc3cnccc23)c1-c1ncn[nH]1

Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1ncn[nH]1

Clc1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1

Fc1cccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc12

Fc1cnc2c(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cccc2c1

FC(F)(F)c1ccc2n(CC(=O)Nc3sc(Cl)cc3-c3ncn[nH]3)c(=O)ccc2c1

Clc1cc(c(NC(=O)Cc2cncc3ccccc23)s1)-c1ncn[nH]1

Fc1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)c2c1

Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1ncn[nH]1

Brc1csc(NC(=O)Cc2cccc3ccncc23)c1-c1ncn[nH]1

Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1ncn[nH]1

FC(F)(F)c1cccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc12

FC(F)(F)c1ccc2N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)C(=O)CCc2c1

Cn1cnc(n1)-c1c(NC(=O)Cc2cccc3ncccc23)scc1C#N

FC(F)(F)c1ccc2ccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cc2n1

Fc1cc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc2c1

FC(F)(F)c1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)c2c1

Fc1ccc2ncccc2c1CC(=O)Nc1scc(Br)c1-c1ncn[nH]1

Fc1cc2cccnc2cc1CC(=O)Nc1scc(Br)c1-c1ncn[nH]1

Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#C)c1-c1ncn[nH]1

FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2cn1

Brc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1ncn[nH]1

FC(F)(F)c1cnc2c(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cccc2c1

Cc1cn2c(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)csc2n1

FC(F)(F)c1ccc2n(CC(=O)Nc3ccsc3-c3cscn3)c(=O)ccc2c1

O=C(Cc1cccc2ncccc12)Nc1scc(C#N)c1-c1cnccn1

O=C(Cn1c2ccncc2ccc1=O)Nc1ccsc1-c1cscn1

FC1(F)C(=O)N(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccccc12

Brc1csc(NC(=O)Cc2cccc3ncsc23)c1-c1ncn[nH]1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccc2c1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3ncco3)c(=O)ccc2c1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2n1

Fc1cc2ccc(=O)n(CC(=O)Nc3sccc3-c3ncon3)c2cc1F

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3nccs3)c(=O)ccc2c1

FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccn2n1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cscn3)c(=O)ccc2c1

Brc1csc(NC(=O)Cc2cccc3nccn23)c1-c1ncn[nH]1

Fc1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2cc1C(F)(F)F

Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cncs3)c(=O)ccc2c1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3ccnn3)c(=O)ccc2c1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3nnc4ccccc34)c(=O)ccc2c1 |(9.34,.77,;8,,;8.77,-1.33,;7.23,1.33,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;,-4.62,;1.33,-6.93,;,-7.7,;-1.41,-7.07,;-2.44,-8.22,;-1.67,-9.55,;-2.29,-10.96,;-2.92,-12.37,;-.16,-9.23,;.98,-10.26,;2.49,-9.94,;3.26,-11.28,;2.23,-12.42,;2.39,-13.95,;1.14,-14.86,;-.26,-14.23,;-.42,-12.7,;.82,-11.79,;1.33,-2.31,;,-3.08,;1.33,-.77,;2.67,,;4,-.77,;5.33,,)|

Fc1cc2ccncc2cc1CC(=O)Nc1scc(Br)c1-n1nccn1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3nccn3)c(=O)ccc2c1

Clc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nc[nH]n1

O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nccs1

Cn1cnc(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12

Clc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1ncn[nH]1

Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1ncco1

Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nccs1

Clc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nccs1

O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nc2ccccc2s1

Cc1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12

CN(C)CCCn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F

CN1CCN(CCCn2cnc(n2)-c2c(Cl)csc2NC(=O)Cn2c3ccc(cc3ccc2=O)C(F)(F)F)CC1

CCc1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12

CN(C)CCn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F

CN(C)CCN(C(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F)c1scc(Cl)c1-c1nc[nH]n1

O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nc[nH]n1

Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccnn2ccc1=O

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn(CCCN4CCOCC4)n3)c(=O)ccc2c1

FC(F)(F)c1ccc2n(CC(=O)N(CCCN3CCCC3)c3scc(Cl)c3-c3nc[nH]n3)c(=O)ccc2c1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn(CCCN4CCCC4)n3)c(=O)ccc2c1

Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(nc2ccc1=O)C(F)(F)F

FC(F)(F)c1ccc(CC(=O)Nc2scc(Cl)c2-c2ncn[nH]2)c2cccnc12

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-n3nccn3)c(=O)ccc2c1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccc2n1

CC(C)c1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12

Brc1csc(NC(=O)Cn2c3ccc(Br)cc3ccc2=O)c1-c1nc[nH]n1

Cn1cnc(n1)-c1c(NC(=O)CN2C(=O)CCc3ncccc23)scc1C#N

Clc1csc(NC(=O)Cn2c3ccc(Br)cc3ccc2=O)c1-c1nc[nH]n1

Clc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nc[nH]n1

FC(F)(F)c1cc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccn2n1

FC(F)(F)c1cc2n(CC(=O)Nc3scc(Cl)c3-c3nc[nH]n3)c(=O)ccc2cn1

Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2cc(nn2ccc1=O)C(F)(F)F

Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2cc(ncc2ccc1=O)C(F)(F)F

CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 |r|

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccccc2)s1

[O-][N+](=O)c1cnc(Sc2nnnn2-c2ccccc2)s1

Cc1nc(Sc2nnnn2-c2ccccc2)sc1C(O)=O

C(Sc1nnnn1-c1ccccc1)c1ccccc1

[O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1

COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CCN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

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

COc1ccc(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(Cl)c(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1ccc(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(C)c(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

CCCN1CCC(CC1)Oc1ccc(OC)c(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c1

CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c(OC)cc1Cl

COc1ccc(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C

COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C

COc1cc2CCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

CNCC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12

COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12

CON(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12

CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12

COc1cc2CCN(C(=O)CN3CCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN3CCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)Cn3ccnc3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

CCCCSc1n[nH]c(=O)n1-c1ccccc1

CCSc1n[nH]c(=O)n1-c1ccccc1

O=c1[nH]nc(SCc2ccccc2)n1-c1ccc2OCCOc2c1

[O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccccc2)s1

CC(C)(C)c1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCOc3c2)s1

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)cc2)s1

COc1ccc(c(OC)c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(.81,-4.43,;-.52,-3.66,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;.81,.19,;2.15,.96,;3.48,.19,;.81,-1.35,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|

COc1cc(OC)cc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O

COc1ccc(cc1OC)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc3ccccc23)s1 |(7.87,2.42,;7.37,3.87,;8.39,5.03,;5.86,4.18,;5.22,5.58,;3.69,5.4,;3.39,3.89,;2.23,2.88,;.77,3.38,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,;-.49,2.5,;-.52,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-3.19,-2.12,;-4.52,-1.35,;-4.52,.19,;-3.19,.96,;-1.86,.19,;4.73,3.13,)|

COc1ccc(OC)c(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(-3.19,-3.66,;-3.19,-2.12,;-1.86,-1.35,;-.52,-2.12,;.81,-1.35,;.81,.19,;2.15,.96,;3.48,.19,;-.52,.96,;-1.86,.19,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(OC(F)(F)F)cc2)s1

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)[N+]([O-])=O)s1

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)c(F)c2)s1

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(F)c2)s1

COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O

COc1ccccc1-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(3.48,.19,;2.15,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(c2)C(F)(F)F)s1

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)C(F)(F)F)s1

[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2C2CCCCC2)s1

COc1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O

[O-][N+](=O)c1cnc(Sc2nnc(-c3ccccc3)n2-c2ccc3OCCOc3c2)s1

Cn1cccc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc(Cl)cc1Cl |(-4.53,5.28,;-4.53,3.74,;-5.67,2.71,;-5.03,1.3,;-3.5,1.48,;-3.19,2.98,;-1.72,3.43,;-1.22,4.89,;.32,4.86,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;-.49,2.5,;-.52,.96,;-1.86,.19,;-1.86,-1.35,;-.52,-2.12,;-.52,-3.66,;.81,-1.35,;.81,.19,;2.15,.96,)|

COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)nnc1-c1ccccc1

[O-][N+](=O)c1cnc(Sc2nnc(-c3cccc4ccccc34)n2Cc2ccco2)s1

[O-][N+](=O)c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)s1

[O-][N+](=O)c1cnc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)s1

Cn1c(Cc2nc([n-][o+]2)-c2cnccn2)nnc1Sc1ncc(s1)[N+]([O-])=O

C(Sc1nnc(SCc2ccccc2)s1)c1ccccc1

Fc1ccc(CSc2nnc(SCc3ccc(F)cc3)s2)cc1

COc1ccc(CSc2nnc(SCc3ccc(OC)cc3)s2)cc1

[O-][N+](=O)c1cccc(CSc2nnc(SCc3cccc(c3)[N+]([O-])=O)s2)c1

[O-][N+](=O)c1ccc(CSc2nnc(SCc3ccc(cc3)[N+]([O-])=O)s2)cc1

[O-][N+](=O)c1cnc(Sc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)s1

OC(=O)c1cnc(Sc2nnc(Sc3ncc(s3)C(O)=O)s2)s1

Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1

[O-][N+](=O)c1cnc(Sc2nnc(NC(=O)c3ccc(F)cc3)s2)s1

Nc1nnc(SCc2ccc(F)cc2)s1

Cc1cccc(n1)C(=O)Nc1cccc(Cl)c1N1CCN(CC=C)CC1

Clc1cccc(NC(=O)c2cccc(Br)c2)c1N1CCN(CC=C)CC1

Clc1cccc(NC(=O)c2ncccn2)c1N1CCN(CC=C)CC1

Clc1cccc(NC(=O)c2ccc(cn2)C#N)c1N1CCN(CC=C)CC1

Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCC2(CC1)OCCO2

Cc1cccc(NC(=O)c2ccc(Cl)o2)c1N1CCC2(CC1)OCCO2

Cc1cccc(NC(=O)c2ccc(F)o2)c1N1CCC2(CC1)OCCO2

Cc1cccc(NC(=O)c2ccc(o2)C#N)c1N1CCC2(CC1)OCCO2

Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2

Cc1cccc(NC(=O)c2ccc(o2)C(F)F)c1N1CCC2(CC1)OCCO2

CCc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2

CC#Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2

Cc1cccc(NC(=O)c2ccc(Cc3ccccc3)o2)c1N1CCC2(CC1)OCCO2

COc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2

Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCNCC1

CN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1

CCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1

CCCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1

CC(C)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1

Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1

CC(=C)CN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1

C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br

Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC1)C1CC1

Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(Cc2ccco2)CC1

Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(Cc2ccccc2)CC1

Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CCc2ccccc2)CC1

Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC1)c1ccccn1

CC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1

FC(F)(F)C(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1

CC(C)(C)OC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1

Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1

Fc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1

Brc1ccc(o1)C(=O)Nc1cccc(Br)c1N1CCN(CC=C)CC1

FC(F)(F)c1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1

Brc1ccc(o1)C(=O)Nc1cccc(-c2ccccc2)c1N1CCN(CC=C)CC1

Brc1ccc(o1)C(=O)Nc1cccc(Nc2ccccc2)c1N1CCN(CC=C)CC1

Clc1cccc(NC(=O)c2cnc(Br)s2)c1N1CCN(CC=C)CC1

Clc1cccc(NC(=O)c2nc(Br)cs2)c1N1CCN(CC=C)CC1

Clc1cccc(NC(=O)c2ccc[nH]2)c1N1CCN(CC=C)CC1

CC(=O)Nc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2

Cc1cccc(NC(=O)c2ccc(Nc3ccccc3)o2)c1N1CCC2(CC1)OCCO2

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

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

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

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

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

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

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

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Oc2nccc(n2)-c2cccnc2)c1

CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1

C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1

CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1

CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1

CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1

CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1

O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12

c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4

COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC

COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(OC)c1OC

COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC

Cc1cncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1

CN(C)c1cc(cc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1)C(=O)Nc1cncc(C)c1

Cc1cncc(NC(=O)c2cc(cc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)N2CCOCC2)c1

Cc1cccc(NC(=O)Nc2cnn(c2)-c2cccc(c2)C(=O)NCCN2CCOCC2)c1

Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccn(Cc3ccccc3)c(=O)c1)c2=O

Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccnc(c1)N1CCOCC1)c2=O

Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O

NC(=O)c1ccc(cc1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O

COC(=O)c1ccc(cn1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(Cl)nc1)c2=O

Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(nc1)N1CCCCC1)c2=O

Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc3OCOc3c1)c2=O

O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)c1ccn(Cc2ccccc2)c(=O)c1

O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)c1ccc(nc1)N1CCOCC1

Cn1cc(cn1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O

OCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O

CN(C)C(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2cnc(s2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COc1ccc(cc1)C(=O)NCc1c(C(=O)N(C)C)n(-c2ccccc2)c2cc(Cl)ccc2c1=O

CN(C)C(=O)c1c(CNC(=O)c2ccc3ncsc3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccc(cc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccc(cc2)-c2cnco2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccc3OCCOc3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccn(Cc3ccccc3)c(=O)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2cnn(C)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccc(nc2)N2CCC(CO)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccc(nc2)N2CCC(CCO)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2cnc(s2)N2CCC(CO)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2cnc(s2)N2CCC(CCO)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CN(C)C(=O)c1c(CNC(=O)c2ccc(nc2)N2CCCCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccn(Cc3ccccc3)c(=O)c1)c2=O)-c1ccccc1

Cn1cc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccnc(c1)N1CCOCC1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccnc(c1)N1CCCC1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc3nc[nH]c3c1)c2=O)-c1ccccc1

Clc1ccc(Cn2ccc(cc2=O)C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1

COc1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

NS(=O)(=O)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1cnn(c1)-c1ccccc1)c2=O)-c1ccccc1

COc1cccc(Cn2ccc(cc2=O)C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)c1

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccn(Cc3ccccc3Cl)c(=O)c1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O)-c1ccccc1

CN(C)c1cc(ccn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc3scnc3c1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(cc1)-c1nnc[nH]1)c2=O)-c1ccccc1

Clc1cccc(Cn2ccc(cc2=O)C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)c1

Cn1cnc2cc(cnc12)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc3cc[nH]c3c1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(cc1)-c1cnco1)c2=O)-c1ccccc1

COc1ccccc1Cn1ccc(cc1=O)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc3nc[nH]c3c1)c2=O)-c1ccccc1

NC(=O)c1ccc(cc1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

CC(C)(C)OC(=O)N1CCC(C1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(=O)n(Cc3ccccc3)c1)c2=O)-c1ccccc1

Cn1cc(nn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Cn1ccc(cc1=O)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1cn(Cc3ccccc3)nn1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(nc1)N1CCOCC1)c2=O)-c1ccccc1

COc1ccc(cc1OC)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Fc1cc(F)cc(c1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Fc1cccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)c1F

Fc1ccc(F)c(c1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(Cl)nc1)c2=O)-c1ccccc1

CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |THB:5:7:12.13:10,14:13:7.8:10|

OCCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

OCCN(CCO)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCCCC1)c2=O)-c1ccccc1

CN(CCO)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

OCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCCCCC1)c2=O)-c1ccccc1

CS(=O)(=O)C1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

O[C@@H]1CCN(C1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r|

COC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

CNC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

NC(=O)N1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

COCCNc1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

CN(C)C1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

OC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

OCCNc1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(NC3CCOCC3)nc1)c2=O)-c1ccccc1

CN(C)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCS(=O)(=O)CC1)c2=O)-c1ccccc1

CC(C)(C)OC(=O)NC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

CN1CCCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

OCCN1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCCC1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCNCC1)c2=O)-c1ccccc1

NC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

O[C@H]1CCN(C1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r|

CN1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CC3CC1CN3)c2=O)-c1ccccc1 |TLB:17:20:26.25:23|

NC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(s1)N1CCCCC1)c2=O)-c1ccccc1

CS(=O)(=O)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

OCC1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

OC1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

CN1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(s1)N1CCOCC1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(s1)N1CCS(=O)(=O)CC1)c2=O)-c1ccccc1

CC(C)(O)CNC(=O)c1ccc(cc1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

OC12CC3CC(C1)C(NC(=O)c1ccc(cc1)C(=O)NCc1cn(-c4ccccc4)c4cc(Cl)ccc4c1=O)C(C3)C2 |TLB:4:3:41:7.5.6,4:5:41:3.2.40,8:7:41:3.2.40,8:7:3.4.40:41.1.6,THB:2:3:7:41.1.6,2:1:7:3.4.40,(9.09,6.34,;9.09,4.8,;10.42,4.03,;10.42,2.49,;9.52,.57,;8.32,1.23,;8.33,3.63,;6.92,.59,;6.92,-.95,;5.59,-1.72,;5.59,-3.26,;4.25,-.95,;2.92,-1.72,;1.59,-.95,;1.59,.59,;2.92,1.36,;4.25,.59,;.25,1.36,;.25,2.9,;-1.08,.59,;-2.41,1.36,;-3.75,.59,;-3.75,-.95,;-5.08,-1.72,;-5.08,-3.26,;-6.42,-4.03,;-6.42,-5.57,;-5.08,-6.34,;-3.75,-5.57,;-3.75,-4.03,;-6.42,-.95,;-7.75,-1.72,;-9.08,-.95,;-10.42,-1.72,;-9.08,.59,;-7.75,1.36,;-6.42,.59,;-5.08,1.36,;-5.08,2.9,;7.76,2.49,;9.09,1.72,;7.76,4.03,)|

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(cc1)N1CCOCC1)c2=O)-c1ccccc1Cl

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(Br)nc1)c2=O)-c1ccccc1Cl

Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)-c1cn[nH]c1)c2=O)-c1ccccc1Cl

Fc1ccc2c(c1)n(cc(CNC(=O)c1cnn(c1)-c1ccccc1)c2=O)-c1ccccc1F

Cn1cc(cn1)C(=O)NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O

Fc1ccc2c(c1)n(cc(CNC(=O)c1ccc(Cl)nc1)c2=O)-c1ccccc1F

OCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O

Fc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCS(=O)(=O)CC1)c2=O)-c1ccccc1F

Fc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O)-c1ccccc1F

COC(=O)c1c(CNC(=O)c2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cnco2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nnc[nH]2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc3scnc3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2cnc(s2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)C(N)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CNC(=O)c1ccc(cc1)C(=O)NCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O

COC(=O)c1c(CNC(=O)c2cnn(Cc3ccccc3)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc3cc[nH]c3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2cnn(C)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cc[nH]n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cnns2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2noc(C)n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nc(C)no2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2csc(C)n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nnn(C)n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)C2CCN(CC2)C(C)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)C2CCN(CC2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1ccc(cc1)C(=O)NCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O

COC(=O)c1c(CNC(=O)c2ccc(OC)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2cccc(OC)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccncc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(F)c(F)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2cccc(F)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(F)c(Cl)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2cccc(Cl)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(OC)c(OC)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccccc2F)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccccn2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)C(C)C)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccccc2Cl)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccccc2OC)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccccc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccccc2)c(=O)c2ccccc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CNC(=O)c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CNC(=O)c2ccc(cc2)C(N)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cc[nH]n2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nnn(C)n2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CNC(=O)c2ccc3cc[nH]c3c2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CNC(=O)c2ccc(Cl)c(Cl)c2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CNC(=O)c2cccc(Cl)c2)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2cccc(OC)c2)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(F)c(F)c2)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)C(C)(C)C)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(OC)cc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(cc2)N(C)C)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)c2ccc(Cl)nc2)c(=O)c2ccc(F)cc2n1-c1ccccc1

COc1cc2ncnc(NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)c2cc1OC

Fc1ccc2c(NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)ncnc2c1

Clc1ccc2c(c1)n(cc(CNc1cc(ncn1)N1CCCCC1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNc1nc3ccccc3s1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNc1nc3ccccc3[nH]1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CN=C(NC#N)N1CCOCC1)c2=O)-c1ccccc1 |w:11.11|

Clc1ccc2c(c1)n(cc(CN=C(NC#N)Nc1ccccc1)c2=O)-c1ccccc1 |w:11.11|

Clc1ccc2c(c1)n(cc(CNC(=O)Oc1ccccc1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)N1CCN(CC1)c1ccccc1)c2=O)-c1ccccc1

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:11.14,8.7,(11.34,5,;10,4.24,;10,2.69,;11.34,3.46,;8.67,5,;7.34,4.24,;7.34,2.69,;6,5,;4.67,4.24,;3.34,4.99,;2,4.24,;2,2.7,;3.34,1.94,;4.67,2.7,;.67,1.92,;-.67,2.7,;-.67,4.24,;-2,1.92,;-3.33,2.7,;-4.67,1.92,;-4.67,.39,;-6,-.39,;-6,-1.92,;-7.34,-2.69,;-7.34,-4.24,;-6,-5,;-4.67,-4.24,;-4.67,-2.69,;-7.34,.39,;-8.67,-.39,;-10,.39,;-11.34,-.39,;-10,1.92,;-8.67,2.7,;-7.34,1.92,;-6,2.7,;-6,4.24,)|

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:11.14,wD:8.7,(11.34,5,;10,4.24,;10,2.69,;11.34,3.46,;8.67,5,;7.34,4.24,;7.34,2.69,;6,5,;4.67,4.24,;3.34,4.99,;2,4.24,;2,2.7,;3.34,1.94,;4.67,2.7,;.67,1.92,;-.67,2.7,;-.67,4.24,;-2,1.92,;-3.33,2.7,;-4.67,1.92,;-4.67,.39,;-6,-.39,;-6,-1.92,;-7.34,-2.69,;-7.34,-4.24,;-6,-5,;-4.67,-4.24,;-4.67,-2.69,;-7.34,.39,;-8.67,-.39,;-10,.39,;-11.34,-.39,;-10,1.92,;-8.67,2.7,;-7.34,1.92,;-6,2.7,;-6,4.24,)|

CC(C)(C)OC(=O)N1CCC(C1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCCC1)c2=O)-c1ccccc1

COC(=O)[C@@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:7.10,4.3,(10,4.24,;8.67,3.47,;7.34,4.24,;7.34,5.78,;6,3.47,;4.67,4.24,;3.33,3.47,;3.33,1.93,;4.67,1.16,;6,1.93,;2,1.16,;.67,1.93,;.67,3.47,;-.67,1.16,;-2,1.93,;-3.33,1.15,;-3.33,-.39,;-4.67,-1.16,;-4.67,-2.7,;-6,-3.47,;-6,-5.01,;-4.67,-5.78,;-3.33,-5.01,;-3.33,-3.47,;-6,-.39,;-7.34,-1.16,;-8.67,-.39,;-10,-1.16,;-8.67,1.15,;-7.34,1.92,;-6,1.15,;-4.67,1.92,;-4.67,3.46,)|

Clc1ccc2c(c1)n(cc(CNC(=O)N1CCCC1)c2=O)-c1ccccc1

CN1CCN(CC1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)N1CCNCC1)c2=O)-c1ccccc1

COC(=O)[C@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:7.10,wD:4.3,(10,4.23,;8.67,3.47,;7.34,4.23,;7.34,5.78,;6,3.47,;4.67,4.24,;3.33,3.47,;3.33,1.93,;4.67,1.15,;6,1.93,;2,1.15,;.67,1.93,;.67,3.47,;-.67,1.15,;-2,1.93,;-3.33,1.15,;-3.33,-.38,;-4.67,-1.15,;-4.67,-2.69,;-6,-3.47,;-6,-5,;-4.67,-5.78,;-3.33,-5,;-3.33,-3.47,;-6,-.38,;-7.34,-1.15,;-8.67,-.38,;-10,-1.15,;-8.67,1.15,;-7.34,1.93,;-6,1.15,;-4.67,1.93,;-4.67,3.47,)|

Clc1ccc2c(c1)n(cc(CNC(=O)N1CCC(CC1)c1ccccc1)c2=O)-c1ccccc1

OC12CC3CC(C1)C(NC(=O)NCc1cn(-c4ccccc4)c4cc(Cl)ccc4c1=O)C(C3)C2 |TLB:8:7:33:3.2.32,8:7:3.4.32:33.1.6,4:3:33:7.5.6,4:5:33:3.2.32,THB:2:3:7:33.1.6,2:1:7:3.4.32,(6.52,7.49,;6.52,5.95,;7.85,5.19,;7.85,3.65,;6.96,1.72,;5.75,2.39,;5.77,4.79,;4.36,1.75,;4.36,.21,;3.02,-.56,;3.02,-2.1,;1.69,.21,;.15,.21,;-1.18,-.56,;-1.18,-2.1,;-2.52,-2.87,;-2.52,-4.41,;-3.85,-5.18,;-3.85,-6.72,;-2.52,-7.49,;-1.18,-6.72,;-1.18,-5.18,;-3.85,-2.1,;-5.19,-2.87,;-6.52,-2.1,;-7.85,-2.87,;-6.52,-.56,;-5.19,.21,;-3.85,-.56,;-2.52,.21,;-2.52,1.75,;5.19,3.65,;6.52,2.88,;5.19,5.19,)|

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCN(CC1)C(=O)Oc1ccccc1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCN(CC1)C(=O)c1ccccc1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCN(CC1)C(=O)OCc1ccccc1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCN(CC1)S(=O)(=O)c1ccccc1)c2=O)-c1ccccc1

CS(=O)(=O)N1CCC(CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

CC(=O)N1CCC(CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

CS(=O)(=O)C1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

Clc1ccc2c(c1)n(cc(CNC(=O)N1CCOCC1)c2=O)-c1ccccc1

Clc1ccc2c(c1)n(cc(CNC(=O)Nc1ccccc1)c2=O)-c1ccccc1

CN(C)c1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1

COc1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1

Fc1cc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)ccc1Cl

FC(F)(F)Oc1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1

COC(=O)c1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1

COC(=O)c1c(CNc2nccc3ccccc23)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNc2ncnc3ccccc23)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CNC(=O)Oc2ccccc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CN(C)C(=O)c2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCNCC1 |r,wU:8.11,wD:5.4,(-5.79,-5.78,;-5.79,-4.24,;-7.12,-3.47,;-4.46,-5.01,;-4.46,-3.47,;-4.46,-1.93,;-3.12,-1.16,;-3.12,.38,;-4.46,1.15,;-5.79,.38,;-5.79,-1.16,;-4.46,2.69,;-3.12,3.46,;-3.12,5,;-1.79,5.78,;-.46,5,;-.46,3.46,;-1.79,2.69,;.88,2.69,;2.34,3.17,;3.25,1.92,;2.34,.68,;2.66,-.83,;1.52,-1.86,;.05,-1.38,;-.27,.12,;.88,1.15,;4.15,-1.23,;4.55,-2.71,;6.04,-3.11,;7.12,-2.02,;6.73,-.54,;5.24,-.14,)|

O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCCCC1 |r,wU:4.7,wD:1.0,(-5.12,-4.62,;-5.12,-3.08,;-3.79,-2.31,;-3.79,-.77,;-5.12,,;-6.46,-.77,;-6.46,-2.31,;-5.12,1.54,;-3.79,2.31,;-3.79,3.85,;-2.46,4.62,;-1.12,3.85,;-1.12,2.31,;-2.46,1.54,;.21,1.54,;1.68,2.02,;2.58,.77,;1.68,-.48,;2,-1.98,;.85,-3.01,;-.61,-2.54,;-.93,-1.03,;.21,,;3.48,-2.38,;3.88,-3.87,;5.37,-4.27,;6.46,-3.18,;6.06,-1.69,;4.57,-1.29,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-8.41,-3.47,;-7.08,-4.24,;-7.08,-5.78,;-5.75,-5.01,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;7.72,-3.91,;8.41,-1.33,;6.24,-3.51,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(O)CC1 |r,wU:8.11,wD:5.4,(-5.87,-5.01,;-4.53,-4.24,;-4.53,-5.78,;-3.2,-3.47,;-5.87,-3.47,;-5.87,-1.93,;-4.53,-1.16,;-4.53,.38,;-5.87,1.15,;-7.2,.38,;-7.2,-1.16,;-5.87,2.69,;-4.53,3.46,;-4.53,5,;-3.2,5.78,;-1.87,5,;-1.87,3.46,;-3.2,2.69,;-.53,2.69,;.93,3.17,;1.84,1.92,;.93,.68,;1.25,-.83,;.11,-1.86,;-1.36,-1.38,;-1.68,.12,;-.53,1.15,;2.74,-1.23,;3.14,-2.71,;4.63,-3.11,;5.71,-2.02,;7.2,-2.42,;5.32,-.54,;3.83,-.14,)|

CN([C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(C)=O)S(C)(=O)=O |r,wU:5.8,wD:2.1,(-4.41,-4.24,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;7.72,-3.91,;8.41,-1.33,;-7.08,-4.24,;-8.41,-3.47,;-7.08,-5.78,;-7.85,-2.9,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-6.41,-5.01,;-5.08,-4.24,;-5.08,-5.78,;-3.75,-3.47,;-6.41,-3.47,;-6.41,-1.93,;-5.08,-1.16,;-5.08,.38,;-6.41,1.15,;-7.75,.38,;-7.75,-1.16,;-6.41,2.69,;-5.08,3.46,;-5.08,5,;-3.75,5.78,;-2.41,5,;-2.41,3.46,;-3.75,2.69,;-1.08,2.69,;.39,3.17,;1.29,1.92,;.39,.68,;.71,-.83,;-.44,-1.86,;-1.9,-1.38,;-2.22,.12,;-1.08,1.15,;2.19,-1.23,;2.59,-2.71,;4.08,-3.11,;5.17,-2.02,;4.77,-.54,;3.28,-.14,;6.66,-2.42,;5.57,-3.51,;7.75,-1.33,;7.06,-3.91,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(N)=O |r,wU:8.11,wD:5.4,(-8.41,-3.47,;-7.08,-4.24,;-7.08,-5.78,;-5.75,-5.01,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;7.72,-3.91,;8.41,-1.33,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)S(N)(=O)=O |r,wU:8.11,wD:5.4,(-8.64,-3.47,;-7.3,-4.24,;-7.3,-5.78,;-5.97,-5.01,;-5.97,-3.47,;-5.97,-1.93,;-4.64,-1.16,;-4.64,.38,;-5.97,1.15,;-7.3,.38,;-7.3,-1.16,;-5.97,2.69,;-4.64,3.46,;-4.64,5,;-3.3,5.78,;-1.97,5,;-1.97,3.46,;-3.3,2.69,;-.64,2.69,;.83,3.17,;1.73,1.92,;.83,.68,;1.15,-.83,;0,-1.86,;-1.46,-1.38,;-1.78,.12,;-.64,1.15,;2.64,-1.23,;3.03,-2.71,;4.52,-3.11,;5.61,-2.02,;5.21,-.54,;3.72,-.14,;7.1,-2.42,;7.5,-3.91,;8.19,-1.33,;8.64,-2.42,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-9.56,-3.47,;-8.22,-4.24,;-8.22,-5.78,;-6.89,-5.01,;-6.89,-3.47,;-6.89,-1.93,;-5.55,-1.16,;-5.55,.38,;-6.89,1.15,;-8.22,.38,;-8.22,-1.16,;-6.89,2.69,;-5.55,3.46,;-5.55,5,;-4.22,5.78,;-2.89,5,;-2.89,3.46,;-4.22,2.69,;-1.55,2.69,;-.09,3.17,;.82,1.92,;-.09,.68,;.23,-.83,;-.91,-1.86,;-2.38,-1.38,;-2.7,.12,;-1.55,1.15,;1.72,-1.23,;2.12,-2.71,;3.61,-3.11,;4.69,-2.02,;4.3,-.54,;2.81,-.14,;6.18,-2.42,;7.27,-1.33,;6.58,-3.91,;8.07,-4.31,;9.56,-4.71,)|

CC(=O)OCC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:28.30,wD:31.37,(9.75,-5.64,;8.27,-5.24,;7.18,-6.33,;7.87,-3.75,;6.38,-3.35,;5.98,-1.87,;7.07,-.78,;4.49,-1.47,;3.41,-2.56,;1.92,-2.16,;1.52,-.67,;2.61,.42,;4.1,.02,;.03,-.27,;-1.11,-1.3,;-2.58,-.83,;-2.9,.68,;-1.75,1.71,;-1.75,3.25,;-.29,3.73,;.62,2.48,;-.29,1.23,;-3.09,4.02,;-3.09,5.56,;-4.42,6.33,;-5.75,5.56,;-5.75,4.02,;-7.09,3.25,;-7.09,1.71,;-5.75,.94,;-5.75,-.6,;-7.09,-1.37,;-8.42,-.6,;-8.42,.94,;-7.09,-2.91,;-8.42,-3.68,;-9.75,-2.91,;-8.42,-5.22,;-7.09,-4.45,;-4.42,3.25,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CO |r,wU:8.11,wD:5.4,(-8.81,-3.47,;-7.48,-4.24,;-7.48,-5.78,;-6.14,-5.01,;-6.14,-3.47,;-6.14,-1.93,;-4.81,-1.16,;-4.81,.38,;-6.14,1.15,;-7.48,.38,;-7.48,-1.16,;-6.14,2.69,;-4.81,3.46,;-4.81,5,;-3.48,5.78,;-2.14,5,;-2.14,3.46,;-3.48,2.69,;-.81,2.69,;.66,3.17,;1.56,1.92,;.66,.68,;.98,-.83,;-.17,-1.86,;-1.63,-1.38,;-1.95,.12,;-.81,1.15,;2.46,-1.23,;2.86,-2.71,;4.35,-3.11,;5.44,-2.02,;5.04,-.54,;3.55,-.14,;6.93,-2.42,;8.01,-1.33,;7.32,-3.91,;8.81,-4.31,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,wD:28.31,(5.57,-4.44,;6.66,-3.35,;7.75,-2.27,;7.06,-4.84,;5.17,-2.96,;4.08,-4.04,;2.59,-3.65,;2.19,-2.16,;3.28,-1.07,;4.77,-1.47,;.71,-1.76,;-.44,-2.79,;-1.9,-2.31,;-2.22,-.81,;-1.08,.22,;-1.08,1.76,;.39,2.24,;1.29,.99,;.39,-.25,;-2.41,2.53,;-2.41,4.07,;-3.75,4.84,;-5.08,4.07,;-5.08,2.53,;-6.41,1.76,;-6.41,.22,;-5.08,-.55,;-5.08,-2.09,;-6.41,-2.86,;-6.41,-4.4,;-7.75,-2.09,;-7.75,-.55,;-3.75,1.76,)|

CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-3.75,-3.47,;-5.08,-4.24,;-5.08,-5.78,;-6.41,-3.47,;-6.41,-1.93,;-5.08,-1.16,;-5.08,.38,;-6.41,1.15,;-7.75,.38,;-7.75,-1.16,;-6.41,2.69,;-5.08,3.46,;-5.08,5,;-3.75,5.78,;-2.41,5,;-2.41,3.46,;-3.75,2.69,;-1.08,2.69,;.39,3.17,;1.29,1.92,;.39,.68,;.71,-.83,;-.44,-1.86,;-1.9,-1.38,;-2.22,.12,;-1.08,1.15,;2.19,-1.23,;2.59,-2.71,;4.08,-3.11,;5.17,-2.02,;4.77,-.54,;3.28,-.14,;6.66,-2.42,;5.57,-3.51,;7.75,-1.33,;7.06,-3.91,)|

CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-7.75,-5.01,;-6.41,-4.24,;-5.08,-3.47,;-5.08,-5.01,;-6.41,-2.7,;-5.08,-1.93,;-5.08,-.39,;-6.41,.38,;-7.75,-.39,;-7.75,-1.93,;-6.41,1.92,;-5.08,2.69,;-5.08,4.23,;-3.75,5.01,;-2.41,4.23,;-2.41,2.69,;-3.75,1.92,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;2.19,-2,;2.59,-3.48,;4.08,-3.88,;5.17,-2.79,;4.77,-1.31,;3.28,-.91,;6.66,-3.19,;5.57,-4.28,;7.75,-2.1,;7.06,-4.68,)|

CN(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:10.13,wD:7.6,(-2.21,-4.72,;-3.75,-4.72,;-2.98,-6.06,;-5.08,-3.95,;-5.08,-5.49,;-3.75,-3.18,;-6.41,-3.18,;-6.41,-1.64,;-5.08,-.87,;-5.08,.67,;-6.41,1.44,;-7.75,.67,;-7.75,-.87,;-6.41,2.98,;-5.08,3.75,;-5.08,5.29,;-3.75,6.06,;-2.41,5.29,;-2.41,3.75,;-3.75,2.98,;-1.08,2.98,;.39,3.45,;1.29,2.21,;.39,.96,;.71,-.55,;-.44,-1.58,;-1.9,-1.1,;-2.22,.41,;-1.08,1.44,;2.19,-.94,;2.59,-2.43,;4.08,-2.83,;5.17,-1.74,;4.77,-.25,;3.28,.15,;6.66,-2.14,;5.57,-3.23,;7.75,-1.05,;7.06,-3.63,)|

C[C@]1(O)CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:5.8,1.0,wD:1.1,(-5.08,-3.63,;-6.41,-2.86,;-6.41,-4.4,;-5.08,-2.09,;-5.08,-.55,;-6.41,.22,;-7.75,-.55,;-7.75,-2.09,;-6.41,1.76,;-5.08,2.53,;-5.08,4.07,;-3.75,4.84,;-2.41,4.07,;-2.41,2.53,;-3.75,1.76,;-1.08,1.76,;.39,2.24,;1.29,.99,;.39,-.25,;.71,-1.76,;-.44,-2.79,;-1.9,-2.31,;-2.22,-.81,;-1.08,.22,;2.19,-2.16,;2.59,-3.65,;4.08,-4.04,;5.17,-2.96,;4.77,-1.47,;3.28,-1.07,;6.66,-3.35,;5.57,-4.44,;7.75,-2.27,;7.06,-4.84,)|

C[C@@]1(O)CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:1.1,5.8,wD:1.0,(-5.08,-3.63,;-6.41,-2.86,;-6.41,-4.4,;-5.08,-2.09,;-5.08,-.55,;-6.41,.22,;-7.75,-.55,;-7.75,-2.09,;-6.41,1.76,;-5.08,2.53,;-5.08,4.07,;-3.75,4.84,;-2.41,4.07,;-2.41,2.53,;-3.75,1.76,;-1.08,1.76,;.39,2.24,;1.29,.99,;.39,-.25,;.71,-1.76,;-.44,-2.79,;-1.9,-2.31,;-2.22,-.81,;-1.08,.22,;2.19,-2.16,;2.59,-3.65,;4.08,-4.04,;5.17,-2.96,;4.77,-1.47,;3.28,-1.07,;6.66,-3.35,;5.57,-4.44,;7.75,-2.27,;7.06,-4.84,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:25.27,wD:28.34,(5.57,-3.13,;6.66,-2.04,;7.75,-.95,;7.06,-3.52,;5.17,-1.64,;4.08,-2.73,;2.59,-2.33,;2.19,-.84,;3.28,.25,;4.77,-.15,;.71,-.44,;-.44,-1.47,;-1.9,-1,;-2.22,.51,;-1.08,1.54,;-1.08,3.08,;.39,3.56,;1.29,2.31,;.39,1.06,;-2.41,3.85,;-2.41,5.39,;-3.75,6.16,;-5.08,5.39,;-5.08,3.85,;-6.41,3.08,;-6.41,1.54,;-5.08,.77,;-5.08,-.77,;-6.41,-1.54,;-7.75,-.77,;-7.75,.77,;-6.41,-3.08,;-7.75,-3.85,;-5.08,-3.85,;-5.08,-5.39,;-3.75,-6.16,;-2.41,-5.39,;-1.08,-6.16,;-2.41,-3.85,;-3.75,-3.08,;-3.75,3.08,)|

CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-2.41,-5.01,;-3.75,-4.24,;-5.08,-5.01,;-6.41,-4.24,;-7.75,-5.01,;-6.41,-2.7,;-5.08,-1.93,;-5.08,-.39,;-6.41,.38,;-7.75,-.39,;-7.75,-1.93,;-6.41,1.92,;-5.08,2.69,;-5.08,4.23,;-3.75,5.01,;-2.41,4.23,;-2.41,2.69,;-3.75,1.92,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;2.19,-2,;2.59,-3.48,;4.08,-3.88,;5.17,-2.79,;4.77,-1.31,;3.28,-.91,;6.66,-3.19,;5.57,-4.28,;7.75,-2.1,;7.06,-4.68,)|

CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-2.41,-5.01,;-3.75,-4.24,;-5.08,-5.01,;-6.41,-4.24,;-7.75,-5.01,;-6.41,-2.7,;-5.08,-1.93,;-5.08,-.39,;-6.41,.38,;-7.75,-.39,;-7.75,-1.93,;-6.41,1.92,;-5.08,2.69,;-5.08,4.23,;-3.75,5.01,;-2.41,4.23,;-2.41,2.69,;-3.75,1.92,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;2.19,-2,;2.59,-3.48,;4.08,-3.88,;5.17,-2.79,;4.77,-1.31,;3.28,-.91,;6.66,-3.19,;5.57,-4.28,;7.75,-2.1,;7.06,-4.68,)|

C[C@@H]1CN(CCN1c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1)C(C)=O |r,wU:22.24,wD:25.31,1.0,(2.55,1.74,;2.95,.25,;4.43,-.15,;4.83,-1.64,;3.74,-2.73,;2.26,-2.33,;1.86,-.84,;.37,-.44,;-.77,-1.47,;-2.24,-1,;-2.56,.51,;-1.41,1.54,;-1.41,3.08,;.05,3.56,;.95,2.31,;.05,1.06,;-2.75,3.85,;-2.75,5.39,;-4.08,6.16,;-5.42,5.39,;-5.42,3.85,;-6.75,3.08,;-6.75,1.54,;-5.42,.77,;-5.42,-.77,;-6.75,-1.54,;-8.08,-.77,;-8.08,.77,;-6.75,-3.08,;-8.08,-3.85,;-5.42,-3.85,;-5.42,-5.39,;-4.08,-6.16,;-2.75,-5.39,;-1.41,-6.16,;-2.75,-3.85,;-4.08,-3.08,;-4.08,3.08,;6.32,-2.04,;6.72,-3.52,;7.41,-.95,)|

CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:32.34,wD:35.41,(10.7,-6.58,;9.21,-6.18,;8.12,-7.27,;9.61,-4.7,;8.81,-4.7,;7.32,-4.3,;6.24,-5.39,;6.93,-2.81,;5.44,-2.41,;5.04,-.92,;6.13,.17,;3.55,-.53,;2.46,-1.61,;.98,-1.22,;.58,.27,;1.67,1.36,;3.15,.96,;-.91,.67,;-2.06,-.36,;-3.52,.12,;-3.84,1.62,;-2.7,2.65,;-2.7,4.19,;-1.23,4.67,;-.33,3.42,;-1.23,2.18,;-4.03,4.96,;-4.03,6.5,;-5.36,7.27,;-6.7,6.5,;-6.7,4.96,;-8.03,4.19,;-8.03,2.65,;-6.7,1.88,;-6.7,.34,;-8.03,-.43,;-9.36,.34,;-9.36,1.88,;-8.03,-1.97,;-9.36,-2.74,;-10.7,-1.97,;-9.36,-4.28,;-8.03,-3.51,;-5.36,4.19,)|

CN(C)CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:27.29,wD:30.36,(7.03,-6.13,;6.63,-4.64,;5.15,-4.24,;7.72,-3.55,;7.32,-2.07,;8.41,-.98,;5.84,-1.67,;4.75,-2.76,;3.26,-2.36,;2.86,-.87,;3.95,.22,;5.44,-.18,;1.37,-.47,;.23,-1.5,;-1.24,-1.03,;-1.56,.48,;-.41,1.51,;-.41,3.05,;1.05,3.53,;1.96,2.28,;1.05,1.03,;-1.74,3.82,;-1.74,5.36,;-3.08,6.13,;-4.41,5.36,;-4.41,3.82,;-5.75,3.05,;-5.75,1.51,;-4.41,.74,;-4.41,-.8,;-5.75,-1.57,;-7.08,-.8,;-7.08,.74,;-5.75,-3.11,;-7.08,-3.88,;-8.41,-3.11,;-7.08,-5.42,;-5.75,-4.65,;-3.08,3.05,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CN |r,wU:8.11,wD:5.4,(-8.41,-3.47,;-7.08,-4.24,;-7.08,-5.78,;-5.75,-5.01,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;8.41,-1.33,;7.72,-3.91,;6.63,-5,)|

O[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)Nc2nccc(n2)-n2ccc3c(cccc23)N2CCN(CC2)C(=O)CC#N)C1 |r,wU:9.12,wD:6.5,1.0,(-13.08,1.6,;-12.31,2.94,;-12.78,4.4,;-11.54,5.31,;-10.29,4.4,;-8.96,5.17,;-7.63,4.4,;-7.63,2.86,;-6.29,2.09,;-4.96,2.86,;-4.96,4.4,;-6.29,5.17,;-3.62,2.09,;-2.29,2.86,;-2.29,4.4,;-.96,5.17,;.38,4.4,;.38,2.86,;-.96,2.09,;1.71,2.09,;3.17,2.57,;4.08,1.32,;3.17,.08,;3.49,-1.43,;2.35,-2.46,;.89,-1.98,;.57,-.48,;1.71,.55,;4.98,-1.83,;5.38,-3.32,;6.87,-3.71,;7.96,-2.62,;7.56,-1.14,;6.07,-.74,;9.44,-3.02,;10.53,-1.93,;9.84,-4.51,;11.33,-4.91,;12.82,-5.31,;-10.77,2.94,)|

CN(C)CCN([C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N)S(C)(=O)=O |r,wU:9.12,wD:6.5,(-3.01,-6.51,;-3.41,-5.02,;-2.32,-3.93,;-4.9,-4.62,;-5.3,-3.13,;-6.78,-2.73,;-6.78,-1.19,;-5.45,-.42,;-5.45,1.12,;-6.78,1.89,;-8.12,1.12,;-8.12,-.42,;-6.78,3.43,;-5.45,4.2,;-5.45,5.74,;-4.12,6.51,;-2.78,5.74,;-2.78,4.2,;-4.12,3.43,;-1.45,3.43,;.01,3.9,;.92,2.66,;.01,1.41,;.33,-.1,;-.81,-1.13,;-2.27,-.65,;-2.59,.86,;-1.45,1.89,;1.82,-.49,;2.22,-1.98,;3.71,-2.38,;4.8,-1.29,;4.4,.2,;2.91,.59,;6.28,-1.69,;7.37,-.6,;6.68,-3.18,;8.17,-3.58,;9.66,-3.98,;-8.12,-3.5,;-8.12,-5.04,;-9.66,-3.5,;-8.12,-1.96,)|

OC[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:5.8,wD:2.1,(-5.68,-4.22,;-7.01,-3.45,;-7.01,-1.91,;-5.68,-1.14,;-5.68,.4,;-7.01,1.17,;-8.34,.4,;-8.34,-1.14,;-7.01,2.71,;-5.68,3.48,;-5.68,5.02,;-4.34,5.79,;-3.01,5.02,;-3.01,3.48,;-4.34,2.71,;-1.68,2.71,;-.21,3.18,;.69,1.94,;-.21,.69,;.11,-.82,;-1.04,-1.85,;-2.5,-1.37,;-2.82,.13,;-1.68,1.17,;1.6,-1.22,;2,-2.7,;3.48,-3.1,;4.57,-2.01,;4.17,-.53,;2.69,-.13,;6.06,-2.41,;7.15,-1.32,;6.46,-3.9,;7.95,-4.3,;8.34,-5.79,)|

CCO[C@@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,3.2,wD:10.10,(-11.52,-3.43,;-9.98,-3.43,;-9.21,-4.77,;-7.67,-4.77,;-6.76,-6.01,;-5.3,-5.54,;-5.3,-4,;-6.76,-3.52,;-3.96,-3.23,;-2.63,-4,;-3.96,-1.69,;-2.63,-.92,;-2.63,.62,;-3.96,1.39,;-5.3,.62,;-5.3,-.92,;-3.96,2.93,;-2.63,3.7,;-2.63,5.24,;-1.3,6.01,;.04,5.24,;.04,3.7,;-1.3,2.93,;1.37,2.93,;2.83,3.41,;3.74,2.16,;2.83,.92,;3.16,-.59,;2.01,-1.62,;.55,-1.14,;.23,.36,;1.37,1.39,;4.64,-.99,;5.04,-2.48,;6.53,-2.87,;7.62,-1.79,;7.22,-.3,;5.73,.1,;9.11,-2.18,;9.5,-3.67,;10.19,-1.09,;8.02,-3.27,)|

CCO[C@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,wD:10.10,3.2,(-11.03,-3.43,;-9.49,-3.43,;-8.72,-4.77,;-7.18,-4.77,;-6.28,-6.01,;-4.81,-5.54,;-4.81,-4,;-6.28,-3.52,;-3.48,-3.23,;-2.14,-4,;-3.48,-1.69,;-2.14,-.92,;-2.14,.62,;-3.48,1.39,;-4.81,.62,;-4.81,-.92,;-3.48,2.93,;-2.14,3.7,;-2.14,5.24,;-.81,6.01,;.52,5.24,;.52,3.7,;-.81,2.93,;1.86,2.93,;3.32,3.41,;4.23,2.16,;3.32,.92,;3.64,-.59,;2.5,-1.62,;1.03,-1.14,;.71,.36,;1.86,1.39,;5.13,-.99,;5.53,-2.48,;7.02,-2.87,;8.1,-1.79,;7.71,-.3,;6.22,.1,;9.59,-2.18,;9.99,-3.67,;10.68,-1.09,;8.5,-3.27,)|

CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(NC2CCCCC2)n1

O=C(CC#N)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(NC2CCCCC2)n1

CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@H](CS(C)(=O)=O)CC2)n1 |r,wU:24.26,wD:27.30,(8.41,-1.33,;7.32,-2.42,;7.72,-3.91,;5.84,-2.02,;4.75,-3.11,;3.26,-2.71,;2.86,-1.23,;3.95,-.14,;5.44,-.54,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;-1.74,3.46,;-1.74,5,;-3.08,5.78,;-4.41,5,;-4.41,3.46,;-5.75,2.69,;-5.75,1.15,;-4.41,.38,;-4.41,-1.16,;-5.75,-1.93,;-5.75,-3.47,;-7.08,-4.24,;-7.08,-5.78,;-8.41,-3.47,;-8.41,-5.01,;-7.08,-1.16,;-7.08,.38,;-3.08,2.69,)|

CS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-8.37,-5.78,;-8.37,-4.24,;-9.7,-3.46,;-9.7,-5.01,;-7.03,-3.47,;-7.03,-1.93,;-5.7,-1.16,;-5.7,.38,;-7.03,1.15,;-8.37,.38,;-8.37,-1.16,;-7.03,2.69,;-5.7,3.46,;-5.7,5,;-4.37,5.78,;-3.03,5,;-3.03,3.46,;-4.37,2.69,;-1.7,2.69,;-.23,3.17,;.67,1.92,;-.23,.68,;.09,-.83,;-1.06,-1.86,;-2.52,-1.38,;-2.84,.12,;-1.7,1.15,;1.57,-1.23,;1.97,-2.71,;3.46,-3.11,;4.55,-2.02,;4.15,-.54,;2.66,-.14,;6.04,-2.42,;6.43,-3.91,;7.12,-1.33,;8.61,-1.73,;9.7,-.64,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCn3c(C2)nnc3C(F)(F)F)n1 |r,wU:25.27,wD:28.34,(8.29,12.12,;7.2,11.03,;6.11,12.12,;8.29,9.94,;6.11,9.94,;6.51,8.46,;5.42,7.37,;3.93,7.77,;3.53,9.25,;4.62,10.34,;2.84,6.68,;3.47,5.27,;2.56,4.03,;1.03,4.19,;.4,5.59,;-1.06,6.07,;-1.06,7.61,;.4,8.08,;1.31,6.84,;-2.15,4.98,;-3.64,5.38,;-4.73,4.29,;-4.33,2.8,;-2.84,2.4,;-2.44,.92,;-3.53,-.17,;-3.13,-1.66,;-4.22,-2.75,;-5.71,-2.35,;-6.11,-.86,;-5.02,.23,;-6.8,-3.44,;-8.29,-3.04,;-6.4,-4.93,;-7.65,-5.83,;-7.48,-7.36,;-6.08,-7.99,;-4.83,-7.09,;-4.99,-5.55,;-3.59,-7.99,;-4.06,-9.46,;-5.6,-9.46,;-6.37,-10.79,;-5.6,-12.12,;-7.91,-10.79,;-7.14,-9.46,;-1.75,3.49,)|

O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:4.7,wD:1.0,(-7.01,-3.45,;-7.01,-1.91,;-5.68,-1.14,;-5.68,.4,;-7.01,1.17,;-8.34,.4,;-8.34,-1.14,;-7.01,2.71,;-5.68,3.48,;-5.68,5.02,;-4.34,5.79,;-3.01,5.02,;-3.01,3.48,;-4.34,2.71,;-1.68,2.71,;-.21,3.18,;.69,1.94,;-.21,.69,;.11,-.82,;-1.04,-1.85,;-2.5,-1.37,;-2.82,.13,;-1.68,1.17,;1.6,-1.22,;2,-2.7,;3.48,-3.1,;4.57,-2.01,;4.17,-.53,;2.69,-.13,;6.06,-2.41,;7.15,-1.32,;6.46,-3.9,;7.95,-4.3,;8.34,-5.79,)|

CCN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:13.17,wD:10.10,(-11.01,-5.39,;-9.68,-6.16,;-8.34,-5.39,;-8.34,-3.85,;-7.01,-3.08,;-5.68,-3.85,;-5.68,-5.39,;-7.01,-6.16,;-4.34,-3.08,;-3.01,-3.85,;-4.34,-1.54,;-3.01,-.77,;-3.01,.77,;-4.34,1.54,;-5.68,.77,;-5.68,-.77,;-4.34,3.08,;-3.01,3.85,;-3.01,5.39,;-1.68,6.16,;-.34,5.39,;-.34,3.85,;-1.68,3.08,;.99,3.08,;2.46,3.56,;3.36,2.31,;2.46,1.06,;2.78,-.44,;1.63,-1.47,;.17,-1,;-.15,.51,;.99,1.54,;4.26,-.84,;4.66,-2.33,;6.15,-2.73,;7.24,-1.64,;6.84,-.15,;5.35,.25,;8.73,-2.04,;9.82,-.95,;9.13,-3.52,;10.61,-3.92,;11.01,-5.41,)|

O[C@H]1CC[C@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:4.7,1.0,(-7.55,-4,;-7.55,-2.46,;-8.89,-1.69,;-8.89,-.15,;-7.55,.62,;-6.22,-.15,;-6.22,-1.69,;-7.55,2.16,;-6.22,2.93,;-6.22,4.47,;-4.89,5.24,;-3.55,4.47,;-3.55,2.93,;-4.89,2.16,;-2.22,2.16,;-.76,2.64,;.15,1.39,;-.76,.14,;-.44,-1.36,;-1.58,-2.39,;-3.04,-1.92,;-3.36,-.41,;-2.22,.62,;1.05,-1.76,;1.45,-3.25,;2.94,-3.65,;4.03,-2.56,;3.63,-1.07,;2.14,-.67,;5.51,-2.96,;6.6,-1.87,;5.91,-4.44,;7.4,-4.84,;8.89,-5.24,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@@H]2CC[C@H](O)CC2)n1 |r,wD:28.31,25.27,(10.57,2.8,;9.24,2.03,;8.47,3.36,;10.01,.69,;7.91,1.26,;7.91,-.28,;6.57,-1.05,;5.24,-.28,;5.24,1.26,;6.57,2.03,;3.91,-1.05,;3.91,-2.59,;2.57,-3.36,;1.24,-2.59,;1.24,-1.05,;.09,-.02,;.72,1.39,;2.25,1.22,;2.57,-.28,;-1.24,.75,;-1.24,2.29,;-2.57,3.06,;-3.91,2.29,;-3.91,.75,;-5.24,-.02,;-6.57,.75,;-7.91,-.02,;-9.24,.75,;-9.24,2.29,;-10.57,3.06,;-7.91,3.06,;-6.57,2.29,;-2.57,-.02,)|

CC(=O)N1CCN(CC1)c1cccc2n(cc(C(N)=O)c12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.29,wD:30.33,(8.1,-1.52,;7.33,-.18,;8.1,1.15,;5.79,-.18,;5.02,-1.52,;3.48,-1.52,;2.71,-.18,;3.48,1.15,;5.02,1.15,;1.17,-.18,;.4,-1.52,;-1.14,-1.52,;-1.91,-.18,;-1.14,1.15,;-1.61,2.62,;-.37,3.52,;.88,2.62,;2.21,3.39,;3.54,2.62,;2.21,4.93,;.4,1.15,;-3.1,3.01,;-3.5,4.5,;-4.99,4.9,;-6.08,3.81,;-5.68,2.32,;-6.77,1.23,;-6.77,-.31,;-5.43,-1.08,;-5.43,-2.62,;-6.77,-3.39,;-6.77,-4.93,;-8.1,-2.62,;-8.1,-1.08,;-4.19,1.93,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ncc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,wD:28.31,(10.53,3.6,;9.19,2.83,;8.42,4.17,;9.96,1.5,;7.86,2.06,;7.86,.52,;6.52,-.25,;5.19,.52,;5.19,2.06,;6.52,2.83,;3.86,-.25,;3.86,-1.79,;2.52,-2.56,;1.19,-1.79,;1.19,-.25,;.04,.78,;.67,2.19,;2.2,2.03,;2.52,.52,;-1.5,.78,;-2.27,2.12,;-3.81,2.12,;-4.58,.78,;-3.81,-.55,;-4.58,-1.88,;-6.06,-2.28,;-6.46,-3.77,;-7.95,-4.17,;-9.04,-3.08,;-10.53,-3.48,;-8.64,-1.59,;-7.15,-1.19,;-2.27,-.55,)|

O[C@H]1CCN(C[C@H]2CC[C@@H](CC2)Nc2nccc(n2)-n2ccc3c(cccc23)N2CCN(CC2)C(=O)CC#N)C1 |r,wU:9.12,1.0,wD:6.5,(-9.73,-6.68,;-8.96,-5.35,;-9.86,-4.1,;-8.96,-2.85,;-7.49,-3.33,;-6.16,-2.56,;-6.16,-1.02,;-4.83,-.25,;-4.83,1.29,;-6.16,2.06,;-7.49,1.29,;-7.49,-.25,;-6.16,3.6,;-4.83,4.37,;-4.83,5.91,;-3.49,6.68,;-2.16,5.91,;-2.16,4.37,;-3.49,3.6,;-.83,3.6,;.64,4.08,;1.54,2.83,;.64,1.58,;.96,.08,;-.19,-.95,;-1.65,-.48,;-1.97,1.03,;-.83,2.06,;2.45,-.32,;2.85,-1.81,;4.33,-2.21,;5.42,-1.12,;5.02,.37,;3.54,.77,;6.91,-1.52,;8,-.43,;7.31,-3,;8.8,-3.4,;9.19,-4.89,;-7.49,-4.87,)|

CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@H](CN3CC[C@@H](O)C3)CC2)n1 |r,wU:24.26,wD:27.30,32.35,(7.99,-3,;7.6,-1.52,;8.68,-.43,;6.11,-1.12,;5.02,-2.21,;3.53,-1.81,;3.13,-.32,;4.22,.77,;5.71,.37,;1.65,.08,;.5,-.95,;-.96,-.48,;-1.28,1.03,;-.14,2.06,;-.14,3.6,;1.32,4.08,;2.23,2.83,;1.32,1.58,;-1.47,4.37,;-1.47,5.91,;-2.81,6.68,;-4.14,5.91,;-4.14,4.37,;-5.47,3.6,;-5.47,2.06,;-4.14,1.29,;-4.14,-.25,;-5.47,-1.02,;-5.47,-2.56,;-6.81,-3.33,;-8.27,-2.85,;-9.18,-4.1,;-8.27,-5.35,;-9.04,-6.68,;-6.81,-4.87,;-6.81,-.25,;-6.81,1.29,;-2.81,3.6,)|

CCOC1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:14.18,wD:11.11,(-5.89,-12.04,;-6.29,-10.56,;-5.2,-9.47,;-5.6,-7.98,;-7.09,-7.58,;-7.49,-6.09,;-6.4,-5.01,;-4.91,-5.4,;-4.51,-6.89,;-6.8,-3.52,;-8.29,-3.12,;-5.71,-2.43,;-4.22,-2.83,;-3.13,-1.74,;-3.53,-.25,;-5.02,.15,;-6.11,-.94,;-2.44,.84,;-2.84,2.33,;-4.33,2.72,;-4.73,4.21,;-3.64,5.3,;-2.15,4.9,;-1.75,3.41,;-1.06,5.99,;-1.06,7.53,;.4,8.01,;1.31,6.76,;2.84,6.6,;3.47,5.19,;2.56,3.95,;1.03,4.11,;.4,5.51,;3.93,7.69,;5.42,7.29,;6.51,8.38,;6.11,9.87,;4.62,10.27,;3.53,9.18,;7.2,10.96,;8.29,12.04,;6.11,12.04,;8.29,9.87,)|

O=C(CC#N)O[C@@H]1CCC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|

O[C@H]1CCC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|

O[C@@H]1CCC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|

O=C(CC#N)O[C@H]1CCC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|

COCCO[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(C)=O |r,wU:8.11,wD:5.4,(-8.41,-6.93,;-8.41,-5.39,;-7.08,-4.62,;-7.08,-3.08,;-5.75,-2.31,;-5.75,-.77,;-4.41,,;-4.41,1.54,;-5.75,2.31,;-7.08,1.54,;-7.08,,;-5.75,3.85,;-4.41,4.62,;-4.41,6.16,;-3.08,6.93,;-1.74,6.16,;-1.74,4.62,;-3.08,3.85,;-.41,3.85,;1.05,4.33,;1.96,3.08,;1.05,1.83,;1.37,.33,;.23,-.7,;-1.24,-.23,;-1.56,1.28,;-.41,2.31,;2.86,-.07,;3.26,-1.56,;4.75,-1.96,;5.84,-.87,;5.44,.62,;3.95,1.02,;7.32,-1.27,;8.41,-.18,;7.72,-2.75,)|

COCCO[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-9.7,-6.93,;-9.7,-5.39,;-8.37,-4.62,;-8.37,-3.08,;-7.03,-2.31,;-7.03,-.77,;-5.7,,;-5.7,1.54,;-7.03,2.31,;-8.37,1.54,;-8.37,,;-7.03,3.85,;-5.7,4.62,;-5.7,6.16,;-4.37,6.93,;-3.03,6.16,;-3.03,4.62,;-4.37,3.85,;-1.7,3.85,;-.23,4.33,;.67,3.08,;-.23,1.83,;.09,.33,;-1.06,-.7,;-2.52,-.23,;-2.84,1.28,;-1.7,2.31,;1.57,-.07,;1.97,-1.56,;3.46,-1.96,;4.55,-.87,;4.15,.62,;2.66,1.02,;6.04,-1.27,;6.43,-2.75,;7.12,-.18,;8.61,-.58,;9.7,.51,)|

CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(C)(C)O)n1 |r,wU:24.26,wD:27.33,(7.75,-2.1,;6.66,-3.19,;7.06,-4.68,;5.17,-2.79,;4.08,-3.88,;2.59,-3.48,;2.19,-2,;3.28,-.91,;4.77,-1.31,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;-2.41,2.69,;-2.41,4.23,;-3.75,5.01,;-5.08,4.23,;-5.08,2.69,;-6.41,1.92,;-6.41,.38,;-5.08,-.39,;-5.08,-1.93,;-6.41,-2.7,;-7.75,-1.93,;-7.75,-.39,;-6.41,-4.24,;-7.75,-5.01,;-7.75,-3.47,;-5.08,-5.01,;-3.75,1.92,)|

CS(=O)(=O)N(CCO)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:11.14,wD:8.7,(-8.37,-5.39,;-8.37,-3.85,;-9.7,-3.08,;-9.7,-4.62,;-7.03,-3.08,;-5.7,-3.85,;-5.7,-5.39,;-4.37,-6.16,;-7.03,-1.54,;-5.7,-.77,;-5.7,.77,;-7.03,1.54,;-8.37,.77,;-8.37,-.77,;-7.03,3.08,;-5.7,3.85,;-5.7,5.39,;-4.37,6.16,;-3.03,5.39,;-3.03,3.85,;-4.37,3.08,;-1.7,3.08,;-.23,3.56,;.67,2.31,;-.23,1.06,;.09,-.44,;-1.06,-1.47,;-2.52,-1,;-2.84,.51,;-1.7,1.54,;1.57,-.84,;1.97,-2.33,;3.46,-2.73,;4.55,-1.64,;4.15,-.15,;2.66,.25,;6.04,-2.04,;6.43,-3.52,;7.12,-.95,;8.61,-1.35,;9.7,-.26,)|

CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:7.10,wD:4.3,(-9.03,-5.01,;-7.7,-4.24,;-9.03,-3.47,;-6.37,-5.01,;-7.7,-2.7,;-6.37,-1.93,;-6.37,-.39,;-7.7,.38,;-9.03,-.39,;-9.03,-1.93,;-7.7,1.92,;-6.37,2.69,;-6.37,4.23,;-5.03,5.01,;-3.7,4.23,;-3.7,2.69,;-5.03,1.92,;-2.37,1.92,;-.9,2.4,;0,1.15,;-.9,-.09,;-.58,-1.6,;-1.73,-2.63,;-3.19,-2.15,;-3.51,-.65,;-2.37,.38,;.91,-2,;1.3,-3.48,;2.79,-3.88,;3.88,-2.79,;3.48,-1.31,;2,-.91,;5.37,-3.19,;5.77,-4.68,;6.46,-2.1,;7.95,-2.5,;9.03,-1.41,)|

CCN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,wD:10.10,(-6.29,-11.3,;-5.2,-10.21,;-5.6,-8.72,;-7.09,-8.33,;-7.49,-6.84,;-6.4,-5.75,;-4.91,-6.15,;-4.51,-7.64,;-6.8,-4.26,;-8.29,-3.86,;-5.71,-3.17,;-4.22,-3.57,;-3.13,-2.48,;-3.53,-.99,;-5.02,-.6,;-6.11,-1.69,;-2.44,.09,;-2.84,1.58,;-4.33,1.98,;-4.73,3.47,;-3.64,4.56,;-2.15,4.16,;-1.75,2.67,;-1.06,5.25,;-1.06,6.79,;.4,7.26,;1.31,6.02,;2.84,5.86,;3.47,4.45,;2.56,3.2,;1.03,3.36,;.4,4.77,;3.93,6.94,;5.42,6.55,;6.51,7.64,;6.11,9.12,;4.62,9.52,;3.53,8.43,;7.2,10.21,;8.29,11.3,;6.11,11.3,;8.29,9.12,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCN(CC2)C2CC2)n1 |r,wU:25.27,wD:28.34,(8.28,11.5,;7.2,10.41,;6.11,11.5,;8.28,9.32,;6.11,9.32,;6.51,7.83,;5.42,6.75,;3.93,7.14,;3.53,8.63,;4.62,9.72,;2.84,6.06,;3.47,4.65,;2.56,3.4,;1.03,3.56,;.4,4.97,;-1.06,5.45,;-1.06,6.99,;.4,7.46,;1.31,6.22,;-2.15,4.36,;-3.64,4.76,;-4.73,3.67,;-4.33,2.18,;-2.84,1.78,;-2.44,.29,;-3.53,-.8,;-3.13,-2.28,;-4.22,-3.37,;-5.71,-2.97,;-6.11,-1.49,;-5.02,-.4,;-6.8,-4.06,;-8.28,-3.66,;-6.4,-5.55,;-7.49,-6.64,;-7.09,-8.13,;-5.6,-8.52,;-4.51,-7.44,;-4.91,-5.95,;-5.2,-10.01,;-5.6,-11.5,;-4.11,-11.1,;-1.75,2.87,)|

CC(C)(C)N1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:15.19,wD:12.12,(-4.8,-11.5,;-5.2,-10.01,;-5.6,-11.5,;-4.11,-11.1,;-5.6,-8.52,;-4.51,-7.44,;-4.91,-5.95,;-6.4,-5.55,;-7.49,-6.64,;-7.09,-8.13,;-6.8,-4.06,;-8.28,-3.66,;-5.71,-2.97,;-4.22,-3.37,;-3.13,-2.28,;-3.53,-.8,;-5.02,-.4,;-6.11,-1.49,;-2.44,.29,;-2.84,1.78,;-4.33,2.18,;-4.73,3.67,;-3.64,4.76,;-2.15,4.36,;-1.75,2.87,;-1.06,5.45,;-1.06,6.99,;.4,7.46,;1.31,6.22,;2.84,6.06,;3.47,4.65,;2.56,3.4,;1.03,3.56,;.4,4.97,;3.93,7.14,;5.42,6.75,;6.51,7.83,;6.11,9.32,;4.62,9.72,;3.53,8.63,;7.2,10.41,;8.28,11.5,;6.11,11.5,;8.28,9.32,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCN(CC2)C2CCC2)n1 |r,wU:25.27,wD:28.34,(8.29,11.81,;7.2,10.72,;6.11,11.81,;8.29,9.63,;6.11,9.63,;6.51,8.14,;5.42,7.05,;3.93,7.45,;3.53,8.94,;4.62,10.03,;2.84,6.36,;3.47,4.96,;2.56,3.71,;1.03,3.87,;.4,5.28,;-1.06,5.75,;-1.06,7.29,;.4,7.77,;1.31,6.52,;-2.15,4.67,;-3.64,5.06,;-4.73,3.98,;-4.33,2.49,;-2.84,2.09,;-2.44,.6,;-3.53,-.49,;-3.13,-1.98,;-4.22,-3.06,;-5.71,-2.67,;-6.11,-1.18,;-5.02,-.09,;-6.8,-3.75,;-8.29,-3.36,;-6.4,-5.24,;-7.49,-6.33,;-7.09,-7.82,;-5.6,-8.22,;-4.51,-7.13,;-4.91,-5.64,;-5.2,-9.7,;-5.97,-11.04,;-4.64,-11.81,;-3.87,-10.47,;-1.75,3.18,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCN3CCCCC3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.96,;7.2,9.87,;6.11,10.96,;8.29,8.78,;6.11,8.78,;6.51,7.29,;5.42,6.2,;3.93,6.6,;3.53,8.09,;4.62,9.18,;2.84,5.51,;3.47,4.1,;2.56,2.86,;1.03,3.02,;.4,4.43,;-1.06,4.9,;-1.06,6.44,;.4,6.92,;1.31,5.67,;-2.15,3.81,;-3.64,4.21,;-4.73,3.12,;-4.33,1.64,;-2.84,1.24,;-2.44,-.25,;-3.53,-1.34,;-3.13,-2.83,;-4.22,-3.92,;-5.71,-3.52,;-6.11,-2.03,;-5.02,-.94,;-6.8,-4.61,;-8.29,-4.21,;-6.4,-6.09,;-7.49,-7.18,;-7.09,-8.67,;-5.6,-9.07,;-5.2,-10.56,;-3.72,-10.96,;-2.63,-9.87,;-3.03,-8.38,;-4.51,-7.98,;-4.91,-6.49,;-1.75,2.33,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCN3CCCC3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.79,;7.2,9.7,;6.11,10.79,;8.29,8.61,;6.11,8.61,;6.51,7.12,;5.42,6.03,;3.93,6.43,;3.53,7.92,;4.62,9.01,;2.84,5.34,;3.47,3.94,;2.56,2.69,;1.03,2.85,;.4,4.26,;-1.06,4.74,;-1.06,6.28,;.4,6.75,;1.31,5.51,;-2.15,3.65,;-3.64,4.04,;-4.73,2.96,;-4.33,1.47,;-2.84,1.07,;-2.44,-.42,;-3.53,-1.51,;-3.13,-2.99,;-4.22,-4.08,;-5.71,-3.68,;-6.11,-2.2,;-5.02,-1.11,;-6.8,-4.77,;-8.29,-4.38,;-6.4,-6.26,;-7.64,-7.17,;-7.48,-8.7,;-6.08,-9.32,;-5.6,-10.79,;-4.06,-10.79,;-3.59,-9.32,;-4.83,-8.42,;-4.99,-6.89,;-1.75,2.16,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCn3cnnc3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.79,;7.2,9.7,;6.11,10.79,;8.29,8.61,;6.11,8.61,;6.51,7.12,;5.42,6.03,;3.93,6.43,;3.53,7.92,;4.62,9.01,;2.84,5.34,;3.47,3.94,;2.56,2.69,;1.03,2.85,;.4,4.26,;-1.06,4.74,;-1.06,6.28,;.4,6.75,;1.31,5.51,;-2.15,3.65,;-3.64,4.04,;-4.73,2.96,;-4.33,1.47,;-2.84,1.07,;-2.44,-.42,;-3.53,-1.51,;-3.13,-2.99,;-4.22,-4.08,;-5.71,-3.68,;-6.11,-2.2,;-5.02,-1.11,;-6.8,-4.77,;-8.29,-4.38,;-6.4,-6.26,;-7.64,-7.17,;-7.48,-8.7,;-6.08,-9.32,;-5.6,-10.79,;-4.06,-10.79,;-3.59,-9.32,;-4.83,-8.42,;-4.99,-6.89,;-1.75,2.16,)|

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCn3ccnc3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.79,;7.2,9.7,;6.11,10.79,;8.29,8.61,;6.11,8.61,;6.51,7.12,;5.42,6.03,;3.93,6.43,;3.53,7.92,;4.62,9.01,;2.84,5.34,;3.47,3.94,;2.56,2.69,;1.03,2.85,;.4,4.26,;-1.06,4.74,;-1.06,6.28,;.4,6.75,;1.31,5.51,;-2.15,3.65,;-3.64,4.04,;-4.73,2.96,;-4.33,1.47,;-2.84,1.07,;-2.44,-.42,;-3.53,-1.51,;-3.13,-2.99,;-4.22,-4.08,;-5.71,-3.68,;-6.11,-2.2,;-5.02,-1.11,;-6.8,-4.77,;-8.29,-4.38,;-6.4,-6.26,;-7.64,-7.17,;-7.48,-8.7,;-6.08,-9.32,;-5.6,-10.79,;-4.06,-10.79,;-3.59,-9.32,;-4.83,-8.42,;-4.99,-6.89,;-1.75,2.16,)|

O[C@@H]1CC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|

O[C@H]1CC[C@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|

O[C@H]1CC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|

O[C@@H]1CC[C@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|

CC(=O)N1CCN(CC1)c1cccc2n(cc(C(N)=O)c12)-c1ccnc(N[C@H]2CC[C@H](CS(C)(=O)=O)CC2)n1 |r,wU:27.29,wD:30.33,(8.77,-.46,;8,.87,;8.77,2.2,;6.46,.87,;5.69,-.46,;4.15,-.46,;3.38,.87,;4.15,2.2,;5.69,2.2,;1.84,.87,;1.07,-.46,;-.47,-.46,;-1.24,.87,;-.47,2.2,;-.95,3.67,;.3,4.57,;1.54,3.67,;2.88,4.44,;4.21,3.67,;2.88,5.98,;1.07,2.2,;-2.44,4.07,;-2.83,5.55,;-4.32,5.95,;-5.41,4.86,;-5.01,3.38,;-6.1,2.29,;-6.1,.75,;-4.77,-.02,;-4.77,-1.56,;-6.1,-2.33,;-6.1,-3.87,;-7.43,-4.64,;-8.77,-3.87,;-8.2,-5.98,;-6.66,-5.98,;-7.43,-1.56,;-7.43,-.02,;-3.52,2.98,)|

CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ncc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-11.67,-5.51,;-11.27,-4.02,;-9.78,-3.62,;-9.38,-2.14,;-10.47,-1.05,;-7.9,-1.74,;-6.81,-2.83,;-5.32,-2.43,;-4.92,-.94,;-6.01,.15,;-7.5,-.25,;-3.43,-.54,;-2.66,.79,;-3.43,2.13,;-2.66,3.46,;-1.12,3.46,;-.35,2.13,;-1.12,.79,;1.19,2.13,;1.81,3.53,;3.35,3.37,;3.67,1.87,;5,1.1,;5,-.44,;3.67,-1.21,;2.33,-.44,;2.33,1.1,;6.33,1.87,;7.67,1.1,;9,1.87,;9,3.41,;7.67,4.18,;6.33,3.41,;10.33,4.18,;11.67,4.95,;9.56,5.51,;11.1,2.84,)|

COc1cc(ccc1OCC(C)(C)O)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F

COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O

NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12|

NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23|

CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23|

O=C1c2ccccc2-c2n[nH]c3cccc1c23

CS(=O)(=O)CCCOc1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(6.01,5.4,;4.92,4.31,;3.43,4.71,;6.4,3.91,;5.32,2.82,;4.23,1.74,;4.63,.25,;3.54,-.84,;2.05,-.44,;.9,-1.47,;-.56,-1,;-.88,.51,;.26,1.54,;.26,3.08,;1.73,3.56,;2.63,2.31,;1.73,1.06,;-1.07,3.85,;-1.07,5.39,;-2.4,6.16,;-3.74,5.39,;-3.74,3.85,;-5.07,3.08,;-5.07,1.54,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-6.4,-.77,;-6.4,.77,;-5.07,-3.08,;-6.4,-3.85,;-3.74,-3.85,;-3.72,-5.39,;-2.39,-6.16,;-1.05,-5.39,;.28,-6.16,;-1.05,-3.85,;-2.39,-3.08,;-2.4,3.08,)|

OC1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:12.16,wD:9.9,(-1.06,-6.16,;-2.39,-5.39,;-3.73,-6.16,;-5.06,-5.39,;-5.08,-3.85,;-3.73,-3.08,;-2.39,-3.85,;-6.41,-3.08,;-7.75,-3.85,;-6.41,-1.54,;-5.08,-.77,;-5.08,.77,;-6.41,1.54,;-7.75,.77,;-7.75,-.77,;-6.41,3.08,;-5.08,3.85,;-5.08,5.39,;-3.75,6.16,;-2.41,5.39,;-2.41,3.85,;-3.75,3.08,;-1.08,3.08,;.39,3.56,;1.29,2.31,;.39,1.06,;.71,-.44,;2.19,-.84,;3.28,.25,;4.77,-.15,;5.17,-1.64,;6.66,-2.04,;7.75,-.95,;7.35,.54,;5.86,.94,;-.44,-1.47,;-1.9,-1,;-2.22,.51,;-1.08,1.54,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:8.11,wD:5.4,(-7.08,-5.78,;-7.08,-4.23,;-8.41,-3.47,;-5.75,-5,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.15,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.15,;-5.75,2.69,;-4.41,3.47,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.47,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.93,;1.05,.68,;1.37,-.83,;2.86,-1.23,;3.95,-.14,;5.44,-.54,;5.84,-2.02,;7.32,-2.42,;8.41,-1.33,;8.01,.15,;6.53,.55,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,)|

CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:8.11,wD:5.4,(-2.41,-5,;-3.75,-4.23,;-5.08,-5,;-6.41,-4.23,;-7.75,-5,;-6.41,-2.69,;-5.08,-1.93,;-5.08,-.38,;-6.41,.38,;-7.75,-.38,;-7.75,-1.93,;-6.41,1.93,;-5.08,2.69,;-5.08,4.23,;-3.75,5,;-2.41,4.23,;-2.41,2.69,;-3.75,1.93,;-1.08,1.93,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;2.19,-2,;3.28,-.91,;4.77,-1.31,;5.17,-2.79,;6.66,-3.19,;7.75,-2.1,;7.35,-.62,;5.86,-.22,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,)|

O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:4.7,wD:1.0,(-6.41,-4.62,;-6.41,-3.08,;-5.08,-2.31,;-5.08,-.77,;-6.41,,;-7.75,-.77,;-7.75,-2.31,;-6.41,1.54,;-5.08,2.31,;-5.08,3.85,;-3.75,4.62,;-2.41,3.85,;-2.41,2.31,;-3.75,1.54,;-1.08,1.54,;.39,2.02,;1.29,.77,;.39,-.48,;.71,-1.98,;2.19,-2.38,;3.28,-1.29,;4.77,-1.69,;5.17,-3.18,;6.66,-3.58,;7.75,-2.49,;7.35,-1,;5.86,-.6,;-.44,-3.01,;-1.9,-2.54,;-2.22,-1.03,;-1.08,,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2ccccn12 |r,wU:8.11,wD:5.4,(-3.85,-5.78,;-3.85,-4.23,;-2.52,-5,;-5.19,-3.47,;-2.52,-3.47,;-2.52,-1.93,;-1.18,-1.15,;-1.18,.38,;-2.52,1.15,;-3.85,.38,;-3.85,-1.15,;-2.52,2.69,;-1.18,3.47,;-1.18,5,;.15,5.78,;1.48,5,;1.48,3.47,;.15,2.69,;2.82,2.69,;4.28,3.17,;5.19,1.93,;4.28,.68,;4.6,-.83,;3.46,-1.86,;1.99,-1.38,;1.67,.12,;2.82,1.15,)|

O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2ccccn12 |r,wU:4.7,wD:1.0,(-3.19,-4.62,;-3.19,-3.08,;-1.85,-2.31,;-1.85,-.77,;-3.19,,;-4.52,-.77,;-4.52,-2.31,;-3.19,1.54,;-1.85,2.31,;-1.85,3.85,;-.52,4.62,;.82,3.85,;.82,2.31,;-.52,1.54,;2.15,1.54,;3.61,2.02,;4.52,.77,;3.61,-.48,;3.93,-1.98,;2.79,-3.01,;1.32,-2.54,;1,-1.03,;2.15,,)|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

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

COc1cc(ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1)N1CCOCC1

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(O)=O)c(c1)C(C)C

CN(C)CCCNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C

Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N

Cc1c(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1

COc1ccc(cc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O)-c1ccccc1

COc1ccccc1Nc1ncc(Cl)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C

NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1

COc1ccccc1Nc1nccc(n1)-c1ccc(C(O)=O)c(c1)C(C)C

CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

CS(=O)(=O)Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

Cc1cc(CN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

Cc1c(OCCN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

Cc1ccc(OCCN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C

COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(C(N)=O)c(c1)C1CCCC1

Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N

CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C

CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C

COc1ccccc1Nc1nccc(n1)-c1ccc(cc1)C(O)=O

COc1ccccc1Nc1nccc(n1)-c1ccc(C(N)=O)c(c1)C(C)C

Cc1ccc(cc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O)-c1ccccc1

COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C

NC(=O)c1ccc(cc1)-c1ccnc(Nc2cc(ccc2F)-c2ccccc2)n1

COc1ccccc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C

CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1c(C)onc1-c1ccccc1 |r,wU:7.10,wD:4.3,(23.5,-20.17,;22.74,-18.84,;23.52,-17.51,;21.21,-18.83,;20.45,-17.49,;21.22,-16.17,;20.46,-14.83,;18.93,-14.84,;18.15,-16.16,;18.91,-17.48,;18.16,-13.5,;16.62,-13.5,;15.85,-12.16,;14.3,-12.16,;13.53,-13.5,;14.31,-14.83,;15.85,-14.84,;13.53,-16.16,;14.01,-17.63,;15.48,-18.11,;12.76,-18.54,;11.51,-17.63,;11.99,-16.16,;11.08,-14.93,;11.72,-13.52,;10.81,-12.27,;9.27,-12.43,;8.65,-13.85,;9.56,-15.09,)|

COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9|

S=C(Nc1ccccc1)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(OCc2ccccc2)cc1 |c:11|

Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:8|

c1c(cc(c(c1F)Nc2nc3cnc(nc3n2[C@H]4CCOC4)NC5CCC(CC5)O)F)F

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

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCCCC1 |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.74,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.67,;21.22,-42.13,;19.89,-41.35,;18.56,-42.13,;18.56,-43.67,;19.89,-39.81,;21.23,-39.04,;21.22,-37.51,;22.55,-36.74,;23.89,-37.51,;23.89,-39.05,;22.56,-39.82,;25.34,-39.56,;26.61,-38.68,;27.84,-39.61,;27.33,-41.06,;28.06,-42.41,;27.27,-43.72,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,;29.6,-42.44,;30.37,-43.77,;31.91,-43.77,;32.68,-42.44,;31.91,-41.11,;30.37,-41.11,)|

CS(=O)(=O)CCCOc1cccc2n(ncc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.24,wD:26.28,(24.35,-15.74,;23.55,-17.06,;23.51,-18.6,;24.86,-17.86,;22.01,-17.02,;21.21,-18.34,;19.67,-18.3,;18.87,-19.62,;17.33,-19.59,;16.54,-20.9,;14.99,-20.86,;14.26,-19.51,;15.06,-18.2,;14.61,-16.74,;15.88,-15.86,;17.11,-16.79,;16.6,-18.24,;13.16,-16.23,;13.16,-14.69,;11.82,-13.92,;10.49,-14.69,;10.5,-16.22,;9.16,-16.99,;9.16,-18.53,;10.49,-19.31,;10.49,-20.85,;9.16,-21.61,;9.16,-23.15,;7.83,-20.85,;7.83,-19.31,;11.83,-17,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(C1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.73,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.66,;21.22,-42.12,;19.89,-41.35,;18.56,-42.12,;18.56,-43.66,;19.89,-39.81,;21.22,-39.04,;21.22,-37.51,;22.55,-36.73,;23.89,-37.5,;23.89,-39.04,;22.56,-39.81,;25.34,-39.55,;26.61,-38.67,;27.83,-39.61,;27.33,-41.06,;28.06,-42.4,;27.26,-43.71,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,;29.6,-42.44,;30.47,-43.71,;31.95,-43.27,;31.99,-41.73,;30.54,-41.22,;33.26,-40.86,;34.65,-41.52,;33.92,-39.47,;32.39,-39.59,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(OCC3CCS(=O)(=O)C3)cccc12 |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.73,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.66,;21.22,-42.12,;19.89,-41.35,;18.56,-42.12,;18.56,-43.66,;19.89,-39.81,;21.22,-39.04,;21.22,-37.51,;22.55,-36.73,;23.89,-37.5,;23.89,-39.04,;22.56,-39.81,;25.34,-39.55,;26.61,-38.67,;27.83,-39.61,;27.33,-41.06,;28.06,-42.4,;29.6,-42.44,;30.37,-43.77,;31.91,-43.77,;32.81,-42.52,;34.28,-43,;34.28,-44.54,;34.9,-45.95,;35.81,-44.7,;32.81,-45.02,;27.26,-43.71,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,)|

CCOC1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,wD:10.10,(54.24,-52.52,;55.78,-52.68,;56.68,-51.44,;58.21,-51.6,;58.98,-52.93,;60.49,-52.61,;60.65,-51.07,;59.24,-50.45,;61.98,-50.3,;63.32,-51.07,;61.98,-48.76,;63.31,-48,;63.31,-46.46,;61.98,-45.68,;60.66,-46.46,;60.66,-48,;61.98,-44.14,;63.32,-43.37,;63.31,-41.84,;64.64,-41.07,;65.98,-41.84,;65.98,-43.38,;64.65,-44.15,;67.44,-43.89,;68.7,-43.01,;69.93,-43.94,;69.42,-45.39,;70.15,-46.74,;69.36,-48.05,;67.81,-48.01,;67.08,-46.66,;67.88,-45.35,;71.69,-46.77,;72.43,-48.12,;73.96,-48.16,;74.77,-46.85,;74.03,-45.49,;72.49,-45.45,;76.31,-46.89,;77.04,-48.24,;77.66,-46.15,;76.35,-45.35,)|

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F

Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2C)cc1

Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cc[nH]n2)cc1

Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2)cc1

Oc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1

CNc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1

Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2C)cc1

Fc1ccc(cc1)-c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1

Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2c(C)n[nH]c2C)cc1 |(19.63,-50.34,;18.1,-50.18,;17.33,-48.85,;15.83,-49.17,;15.67,-50.7,;17.07,-51.33,;14.34,-51.48,;13,-50.71,;11.67,-51.48,;11.67,-53.03,;10.34,-53.8,;9,-53.02,;9.01,-51.48,;7.68,-50.71,;6.34,-51.48,;6.35,-53.03,;7.68,-53.79,;7.69,-49.18,;8.94,-48.27,;8.46,-46.81,;6.92,-46.81,;6.44,-48.27,;4.93,-48.51,;4.22,-49.88,;4.91,-51.25,;2.7,-49.64,;2.46,-48.12,;3.83,-47.42,;4.07,-45.9,;13,-53.8,;14.34,-53.03,)|

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

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

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

O\N=C1\c2ccccc2-c2nc3cc(Cl)ccc3nc12

OC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12

O\N=C1\c2ccccc2-c2nc3ncc(Cl)cc3nc12

O\N=C1\c2ccccc2-c2nc3ccncc3nc12

CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12

O=C1c2ccccc2-n2c1nc1ccccc1c2=O

Cc1cccc2nc3\C(=N/O)c4ccccc4-c3nc12

Cc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1

CCOc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1

O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)C(O)=O

O\N=C1/c2ccccc2-c2nc3ccccc3nc12

O\N=C1\c2ccccc2-c2nc3ncccc3nc12

OCCO\N=C1/c2ccccc2-c2nc3ccccc3nc12

O\N=C1/c2ccccc2-n2c1nc1ccccc1c2=O

Cc1cc2nc3\C(=N/O)c4ccccc4-c3nc2cc1C

O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)[N+]([O-])=O

C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C

Fc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3ccccc3Cl)c2c1

O=C(\C=C1/Nc2ccccc2NC1=O)c1cccc2ccccc12

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCC1CCNCC1

C1c2ccccc2-c2n[nH]c3cccc1c23

Cc1c(Cl)cccc1\N=C1\NC(=O)\C(S1)=C1\C(=O)Nc2ccccc12

Brc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3cccc4ccccc34)c2c1

CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

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

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)cc(C)n1

Oc1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc2OCCOc2c1

CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

CC(C1CC1)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(NCCN(C)C)nc12

COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O

CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1

CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

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

COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1

COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|

Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2

Clc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

COc1ccc2cc(ccc2c1)C(C)C(=O)Nc1cc(C)ccn1

COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Br)cc3)c2cc1OC

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c2cc1OC

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)[N+]([O-])=O)c2cc1OC

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cc(cs1)C(=O)NC1CNC1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1ccc(s1)C(=O)NC1CNC1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1nc(cs1)C(=O)NC1CNC1

Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1 |r|

Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)NC1COC1

Fc1ccc(NC(=O)Nc2cnn(c2)-c2csc(c2)C(=O)NC2COC2)c(Cl)c1

Fc1cccc(Cl)c1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NCC1CCOCC1

CN1CCC[C@H]1CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC[C@H]1CCOC1 |r|

CN1CC[C@H](CNC(=O)c2cc(cs2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)C1 |r|

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NCC1CCNCC1

CN1CCC(CNC(=O)c2cc(cs2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)CC1

CC1(COC1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)N[C@@H]1CCOC1 |r|

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CCOCC1

CN1CCC(CC1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1

CC(C)N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|

CN1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|

[2H]C([2H])([2H])N1CC[C@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|

CN1CC[C@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)N[C@@H]1CCNC1 |r|

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CC1

CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CNC1

O=C(\C=C1/Nc2cc(ccc2NC1=O)C#N)c1cccc2ccccc12

NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1

Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1

CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1

Clc1ccccc1Nc1cc2cnn(-c3csc(c3)C(=O)NC3COC3)c2cn1

Clc1ccccc1Nc1cnc2n(ncc2c1)-c1csc(c1)C(=O)NC1COC1

Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1COC1

Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)N[C@H]1CCOC1 |r|

Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1CCOCC1

[2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12 |r|

CC(=O)N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12 |r|

CC(C)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12

FC(F)CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12

COCCNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12

Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1CC1

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12

[2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)ccc12 |r|

CC(C)N1CC[C@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)ccc12 |r|

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(OC)cc12

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)c(F)cc12

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3OC)c(F)cc12

CNC(=O)c1cc(cs1)-n1ncc2cc(Oc3ccccc3Cl)ccc12

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)cnc12

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)ncc12

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)cnc12

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)c(C)nc12

CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3cccc(OC)c3Cl)c(C)nc12

Cc1nc2n(ncc2cc1Nc1cccc(F)c1Cl)-c1csc(c1)C(=O)NC1COC1

Cc1nc2n(ncc2cc1Nc1ccc(F)cc1Cl)-c1csc(c1)C(=O)NC1COC1

Cc1nc2n(ncc2cc1Nc1cc(F)ccc1Cl)-c1csc(c1)C(=O)NC1COC1

Cc1nc2n(ncc2cc1Nc1c(F)cccc1Cl)-c1csc(c1)C(=O)NC1COC1

COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC

NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 |r,wU:8.7,wD:11.11,(53.88,-7.89,;52.54,-7.13,;52.54,-5.59,;51.21,-7.9,;49.88,-7.14,;48.55,-7.91,;48.55,-9.45,;47.21,-10.22,;45.88,-9.45,;44.55,-10.23,;43.22,-9.45,;43.22,-7.9,;41.89,-7.13,;44.56,-7.14,;45.89,-7.91,;49.88,-10.23,;51.22,-9.45,;52.56,-10.21,;52.57,-11.75,;51.24,-12.52,;51.24,-14.06,;52.58,-14.82,;53.91,-14.04,;53.9,-12.5,)|

CC(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:8.7,wD:11.11,(72.97,-12.27,;71.63,-11.52,;70.3,-12.3,;71.63,-9.98,;70.29,-9.21,;68.95,-9.99,;67.61,-9.22,;66.28,-9.99,;64.95,-9.22,;63.62,-9.99,;62.29,-9.21,;62.29,-7.67,;60.96,-6.89,;63.63,-6.91,;64.96,-7.68,;67.62,-7.68,;68.94,-6.91,;70.28,-7.67,;71.61,-6.89,;72.95,-7.66,;71.6,-5.35,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC(C)C)n1 |r,wU:5.8,wD:2.1,(3.78,-21.45,;5.12,-20.68,;6.45,-21.46,;6.44,-23,;7.78,-23.78,;9.1,-23.01,;9.11,-21.47,;7.79,-20.7,;10.44,-23.78,;11.77,-23.01,;11.77,-21.47,;13.1,-20.7,;14.44,-21.46,;15.77,-20.68,;17.1,-21.45,;15.76,-19.14,;14.45,-23,;15.78,-23.77,;15.79,-25.31,;17.13,-26.06,;14.46,-26.09,;13.1,-23.78,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,22.23,wD:2.1,18.18,(60.6,-22.65,;61.93,-21.88,;63.26,-22.66,;63.26,-24.2,;64.59,-24.98,;65.92,-24.21,;65.93,-22.67,;64.6,-21.9,;67.25,-24.98,;68.59,-24.21,;68.59,-22.66,;69.92,-21.89,;71.25,-22.66,;72.58,-21.88,;73.92,-22.64,;72.57,-20.34,;71.26,-24.2,;72.6,-24.96,;72.6,-26.5,;71.28,-27.27,;71.28,-28.81,;72.61,-29.58,;73.95,-28.8,;75.28,-29.57,;73.95,-27.26,;69.92,-24.98,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,wD:2.1,18.18,22.23,(2.15,-36.93,;3.48,-36.16,;4.81,-36.94,;4.81,-38.48,;6.14,-39.26,;7.47,-38.49,;7.48,-36.95,;6.15,-36.18,;8.8,-39.26,;10.14,-38.49,;10.14,-36.94,;11.47,-36.17,;12.8,-36.94,;14.13,-36.16,;15.47,-36.92,;14.13,-34.62,;12.81,-38.48,;14.15,-39.24,;14.16,-40.78,;12.83,-41.55,;12.83,-43.09,;14.16,-43.86,;15.5,-43.08,;16.83,-43.85,;15.5,-41.54,;11.47,-39.26,)|

CC(C)(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:9.8,wD:12.12,(14.02,-12,;15.35,-11.23,;16.69,-11.99,;15.34,-12.76,;15.34,-9.69,;14,-8.93,;12.66,-9.7,;11.33,-8.93,;9.99,-9.7,;8.66,-8.93,;7.33,-9.7,;6,-8.93,;6,-7.38,;4.67,-6.61,;7.34,-6.62,;8.67,-7.39,;11.33,-7.39,;12.66,-6.62,;13.99,-7.38,;15.32,-6.61,;16.66,-7.37,;15.32,-5.07,)|

NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2 |r,wU:8.7,wD:11.11,(35.38,-6.44,;34.05,-5.67,;34.04,-4.13,;32.72,-6.45,;31.38,-5.69,;30.05,-6.46,;30.05,-8,;28.72,-8.77,;27.38,-8,;26.06,-8.77,;24.72,-7.99,;24.73,-6.45,;23.4,-5.67,;26.07,-5.69,;27.39,-6.46,;31.38,-8.77,;32.73,-7.99,;34.06,-8.76,;34.07,-10.3,;32.99,-11.38,;34.08,-12.47,;35.17,-11.38,;33.65,-11.15,)|

NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2 |r|

C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC2(C)CC2)ncc1C(N)=O |r|

C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC(C)(C)C)ncc1C(N)=O |r|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](C2)OC)n1 |r,wU:5.8,18.18,22.25,wD:2.1,(43.08,-37.57,;44.42,-36.81,;45.75,-37.58,;45.74,-39.12,;47.08,-39.9,;48.4,-39.13,;48.41,-37.59,;47.09,-36.82,;49.74,-39.9,;51.07,-39.13,;51.07,-37.59,;52.4,-36.82,;53.74,-37.58,;55.07,-36.81,;56.4,-37.57,;55.06,-35.27,;53.75,-39.12,;55.08,-39.89,;55.09,-41.43,;53.76,-42.2,;53.76,-43.73,;55.1,-44.5,;56.43,-43.73,;56.43,-42.18,;57.76,-44.5,;59.1,-43.73,;52.4,-39.9,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H]2O)n1 |r,wU:5.8,18.18,wD:2.1,23.25,(63.02,-38.91,;64.36,-38.15,;65.69,-38.92,;65.68,-40.46,;67.02,-41.24,;68.34,-40.47,;68.35,-38.93,;67.03,-38.16,;69.68,-41.24,;71.01,-40.47,;71.01,-38.93,;72.34,-38.16,;73.68,-38.92,;75.01,-38.14,;76.35,-38.91,;75,-36.6,;73.69,-40.46,;75.02,-41.23,;75.03,-42.77,;73.7,-43.54,;73.7,-45.07,;75.04,-45.84,;76.37,-45.07,;76.37,-43.52,;77.7,-42.75,;72.35,-41.24,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@](C)(O)C2)n1 |r,wU:5.8,18.18,wD:22.23,2.1,(1.13,-3.13,;2.47,-2.37,;3.8,-3.14,;3.79,-4.69,;5.12,-5.47,;6.45,-4.69,;6.46,-3.15,;5.13,-2.38,;7.78,-5.46,;9.12,-4.69,;9.12,-3.15,;10.45,-2.38,;11.79,-3.14,;13.11,-2.37,;14.45,-3.13,;13.11,-.83,;11.79,-4.69,;13.13,-5.45,;13.14,-6.99,;11.81,-7.76,;11.81,-9.29,;13.15,-10.06,;14.47,-9.29,;15.24,-10.62,;16.01,-9.29,;14.48,-7.75,;10.45,-5.47,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CC[C@@H](C)[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,21.22,(19.9,-4.09,;21.24,-3.32,;22.57,-4.1,;22.57,-5.64,;23.9,-6.42,;25.23,-5.65,;25.24,-4.11,;23.91,-3.34,;26.56,-6.42,;27.89,-5.65,;27.9,-4.11,;29.22,-3.34,;30.56,-4.1,;31.89,-3.32,;33.23,-4.09,;31.88,-1.78,;30.57,-5.64,;31.91,-6.41,;31.91,-7.95,;30.58,-8.72,;30.59,-10.25,;31.92,-11.02,;31.92,-12.56,;33.25,-10.24,;34.58,-11.01,;33.25,-8.7,;29.23,-6.42,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NCCC(C)(C)O)n1 |r,wU:5.8,wD:2.1,(41.91,-4.37,;43.24,-3.6,;44.57,-4.38,;44.57,-5.92,;45.9,-6.7,;47.23,-5.93,;47.24,-4.39,;45.91,-3.62,;48.56,-6.7,;49.9,-5.93,;49.9,-4.39,;51.23,-3.62,;52.56,-4.38,;53.89,-3.6,;55.23,-4.37,;53.88,-2.06,;52.57,-5.92,;53.91,-6.69,;53.92,-8.23,;55.25,-8.99,;55.26,-10.53,;56.6,-11.3,;53.93,-11.31,;55.24,-12.06,;51.23,-6.7,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,(62.95,-4.56,;64.29,-3.79,;65.62,-4.57,;65.61,-6.11,;66.95,-6.89,;68.27,-6.12,;68.28,-4.58,;66.96,-3.81,;69.61,-6.89,;70.94,-6.12,;70.94,-4.57,;72.27,-3.8,;73.61,-4.57,;74.94,-3.79,;76.27,-4.55,;74.93,-2.25,;73.62,-6.11,;74.95,-6.87,;74.96,-8.41,;73.53,-9.12,;73.24,-10.59,;74.17,-11.79,;75.64,-11.83,;76.67,-10.59,;78.16,-10.97,;76.35,-9.09,;72.27,-6.89,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCOC2)n1 |r,wU:5.8,18.18,wD:2.1,(2.62,-17.13,;3.96,-16.37,;5.29,-17.15,;5.28,-18.69,;6.62,-19.47,;7.95,-18.69,;7.95,-17.15,;6.63,-16.38,;9.28,-19.46,;10.61,-18.7,;10.61,-17.15,;11.94,-16.38,;13.28,-17.14,;14.61,-16.37,;15.95,-17.13,;14.6,-14.83,;13.29,-18.69,;14.63,-19.45,;14.63,-20.99,;13.3,-21.76,;13.31,-23.29,;14.64,-24.07,;15.97,-23.29,;15.97,-21.75,;11.95,-19.47,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC(F)(F)C2)n1 |r,wU:5.8,18.18,wD:2.1,(20.63,-18.13,;21.97,-17.36,;23.3,-18.14,;23.3,-19.68,;24.63,-20.46,;25.96,-19.69,;25.97,-18.15,;24.64,-17.38,;27.29,-20.46,;28.62,-19.69,;28.63,-18.15,;29.96,-17.37,;31.29,-18.14,;32.62,-17.36,;33.96,-18.12,;32.61,-15.82,;31.3,-19.68,;32.64,-20.45,;32.64,-21.99,;31.31,-22.75,;31.32,-24.29,;32.65,-25.06,;33.98,-24.28,;35.52,-24.28,;34.75,-25.62,;33.98,-22.74,;29.96,-20.46,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC(C)(C)C)n1 |r,wU:5.8,wD:2.1,(41.72,-18.67,;43.06,-17.9,;44.39,-18.68,;44.39,-20.22,;45.72,-21,;47.05,-20.23,;47.05,-18.69,;45.73,-17.92,;48.38,-21,;49.71,-20.23,;49.72,-18.68,;51.04,-17.91,;52.38,-18.68,;53.71,-17.9,;55.05,-18.66,;53.7,-16.36,;52.39,-20.22,;53.73,-20.98,;53.73,-22.52,;52.4,-23.3,;55.07,-23.29,;53.72,-24.06,;51.05,-21,)|

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC23CC(C2)C3)n1 |r,wU:5.8,wD:2.1,(64.75,-19.37,;66.09,-18.6,;67.42,-19.38,;67.42,-20.92,;68.75,-21.7,;70.08,-20.93,;70.09,-19.39,;68.76,-18.62,;71.41,-21.7,;72.75,-20.93,;72.75,-19.38,;74.08,-18.61,;75.41,-19.38,;76.74,-18.6,;78.08,-19.36,;76.73,-17.06,;75.42,-20.92,;76.76,-21.68,;76.76,-23.22,;75.68,-24.31,;76.78,-25.4,;77.86,-24.3,;76.29,-24.27,;74.08,-21.7,)|

NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,18.19,22.24,wD:11.11,(15.33,-30.3,;13.99,-29.54,;13.99,-28,;12.66,-30.32,;11.33,-29.55,;10,-30.32,;10,-31.87,;8.66,-32.64,;7.33,-31.87,;6,-32.64,;4.67,-31.86,;4.67,-30.32,;3.34,-29.54,;6.01,-29.56,;7.34,-30.33,;11.33,-32.64,;12.67,-31.86,;14.01,-32.62,;14.02,-34.16,;12.69,-34.93,;12.69,-36.47,;14.02,-37.24,;15.35,-36.46,;16.69,-37.23,;15.36,-34.92,)|

NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OC(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,21.22,25.27,wD:11.14,(57.85,-32.36,;56.51,-31.59,;56.51,-30.05,;55.18,-32.37,;53.85,-31.61,;52.52,-32.38,;52.52,-33.92,;51.18,-34.69,;49.85,-33.92,;48.52,-34.69,;47.19,-33.91,;47.19,-32.37,;48.53,-31.61,;49.86,-32.38,;45.86,-31.6,;44.53,-32.36,;43.2,-31.58,;44.52,-33.9,;53.85,-34.69,;55.19,-33.91,;56.53,-34.68,;56.54,-36.22,;55.21,-36.99,;55.21,-38.52,;56.54,-39.29,;57.87,-38.51,;59.21,-39.28,;57.88,-36.97,)|

NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OCC(F)(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,23.24,27.29,wD:11.14,(79.91,-33.17,;78.57,-32.41,;78.56,-30.87,;77.24,-33.18,;75.9,-32.42,;74.57,-33.19,;74.57,-34.73,;73.24,-35.5,;71.9,-34.73,;70.58,-35.51,;69.24,-34.73,;69.25,-33.18,;70.59,-32.42,;71.91,-33.19,;67.92,-32.41,;66.58,-33.17,;65.25,-32.4,;65.26,-30.86,;63.91,-33.16,;63.91,-31.62,;75.91,-35.5,;77.25,-34.73,;78.58,-35.49,;78.59,-37.03,;77.26,-37.8,;77.27,-39.33,;78.6,-40.1,;79.93,-39.33,;81.26,-40.09,;79.93,-37.79,)|

NC(=O)c1cnc(NC2CCCCC2)nc1N[C@@H]1CCC[C@H](O)C1 |r|

NC(=O)c1cnc(NC2CCC(F)(F)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r|

CC(C)(C)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r|

NC(=O)c1cnc(NC23CC(C2)C3)nc1N[C@@H]1CCC[C@H](O)C1 |r|

C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1

OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1

CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1

CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1

CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12

Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1

CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2

COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1

COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1

Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1

Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1

CN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O

COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1

Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|

FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1

Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2ccc(F)cc2)c1)-c1ccccc1

COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C

NC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12

CN(C)CCNC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12

CN(C)CCNC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12

COc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1

OC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12

N(c1ccccc1)c1ccc2c(n[nH]c2c1)-c1ccccc1

Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1

OC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12

Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1

Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1

CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1

Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O

Oc1cc(cc(O)c1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O

OCc1cc(cc(O)c1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O

COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

CC(=O)N1CCC(CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1

O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)c1cccnc1

Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOCC3)c2)cc1

Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOC3)c2)cc1

COCCC(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1

O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)c1ccco1

O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1

COC1CCC(CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1 |(21.55,-31.69,;21.56,-30.15,;20.22,-29.37,;18.89,-30.14,;17.56,-29.37,;17.56,-27.83,;18.89,-27.06,;20.23,-27.83,;16.23,-27.06,;16.23,-25.52,;14.9,-27.83,;13.56,-27.06,;13.56,-25.52,;12.23,-24.75,;10.9,-25.51,;10.89,-27.06,;12.23,-27.83,;12.24,-23.21,;13.57,-22.45,;13.58,-20.92,;12.25,-20.13,;10.91,-20.9,;9.58,-20.13,;8.24,-20.9,;8.25,-22.43,;6.91,-23.2,;5.58,-22.43,;5.59,-20.88,;6.92,-20.12,;10.91,-22.44,)|

O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOCC1

CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1

CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 |wU:5.8,wD:2.1,(7.68,-6.41,;7.68,-4.87,;6.35,-4.1,;6.35,-2.56,;5.02,-1.78,;3.69,-2.55,;3.68,-4.09,;5.01,-4.86,;2.35,-1.78,;2.35,-.24,;1.02,-2.55,;-.31,-1.79,;-.32,-.24,;-1.65,.53,;-2.98,-.23,;-2.99,-1.78,;-1.65,-2.56,;-1.64,2.06,;-.3,2.82,;-.29,4.36,;-1.63,5.14,;-2.97,4.38,;-4.3,5.15,;-5.63,4.38,;-5.63,2.84,;-6.96,2.08,;-8.3,2.85,;-9.63,2.09,;-8.29,4.4,;-6.95,5.16,;-2.97,2.84,)|

Cc1cnc(cn1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1

CO[C@H]1CC[C@H](CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 |wU:5.8,2.1,(17.63,-11.64,;17.64,-10.1,;16.3,-9.32,;14.97,-10.09,;13.64,-9.32,;13.64,-7.78,;14.97,-7,;16.31,-7.78,;12.31,-7.01,;12.31,-5.47,;10.98,-7.78,;9.64,-7.01,;9.64,-5.47,;8.31,-4.7,;6.98,-5.46,;6.97,-7.01,;8.31,-7.78,;8.32,-3.16,;9.65,-2.4,;9.66,-.87,;8.33,-.08,;6.99,-.85,;5.66,-.08,;4.32,-.84,;4.33,-2.38,;2.99,-3.15,;1.66,-2.38,;.32,-3.14,;1.67,-.83,;3,-.07,;6.99,-2.39,)|

CC(=O)N1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1

CC(=O)N1CCC[C@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1

CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1

N#CC(c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F

Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CC3)n2)cc1

CCOc1nc(cc(N)c1C#CCCO)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(O)c2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\c3ccccc3)n2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(Cl)c2)cc1

CC(=O)NCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCC3)n2)cc1

C[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r|

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(CCC(O)=O)n2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\C(O)=O)n2)cc1

C[C@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCc3ccccc3)n2)cc1

CCCCC#Cc1c(N)cc(nc1OCC)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCCO)n2)cc1

CC(C)NC(=O)c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1\C=C\C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CCCC3)n2)cc1

C\C=C\c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCCNC(=O)c1c(N)cc(nc1OCC)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1C#C\C=C\CO)C(=O)NCc1ccc(cc1)S(C)(=O)=O

COc1ccc(Oc2nc(cc(N)c2C#N)C(=O)NCc2ccc(cc2)S(C)(=O)=O)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cncnc2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCN)n2)cc1

C\C=C/c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccc(s2)C(O)=O)cc1

CCOc1nc(cc(N)c1C#CCO)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccnc2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCNC(N)=O)n2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCCC3)n2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccoc2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(c2)S(C)(=O)=O)cc1

CCOc1nc(cc(N)c1C(N)=O)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2CO)cc1

CC(C)COc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CC(C)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CN(C)CCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC(CO)CO)n2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCO)n2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccncc2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2CNCc2ccccc2)cc1

CCOc1nc(cc(N)c1C#Cc1ccsc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1\C=C\c1ccccc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CC(C)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

COc1cccc(c1)-c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\CCO)n2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCC(N)=O)n2)cc1

CCOc1nc(cc(N)c1\C=C\C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1\C=C\C(C)(C)C)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1C=C)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCc3ccccc3)n2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2)cc1

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CC3)n2)cc1

COCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CC(C)[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

COc1cc[nH]c1\C=C1/C(=O)Nc2cccc(C#CC(O)c3ccc(OCCCN(C)C)cc3)c12 |w:19.20|

CCOc1nc(cc(N)c1C#N)C(=O)NCCNc1ccc(cn1)[N+]([O-])=O

CCOc1nc(cc(N)c1C#N)C(=O)NCc1cnccc1Cl

CC(C)Oc1nc(cc(N)c1C#N)C(=O)N(C)Cc1ccc(cc1)S(C)(=O)=O

CC(C)Oc1nc(cc(O)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(=O)c1ccccc1

CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(=O)(=O)c1ccccc1

CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1

C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|

COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

O=C(Nc1ccccc1)c1ccc(CNc2n[nH]c3ccccc23)cc1

Clc1ccc(NC(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)cc1

COc1ccc(NC(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)cc1

Cc1cc(NC(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)ccc1Cl

O=C(NN1CCCCC1)c1ccc(CNc2n[nH]c3ccccc23)cc1

O=C(NN1CCOCC1)c1ccc(CNc2n[nH]c3ccccc23)cc1

O=C(N1CCOCC1)c1ccc(CNc2n[nH]c3ccccc23)cc1

O=C(N1CCCC1)c1ccc(CNc2n[nH]c3ccccc23)cc1

O=C(N1CCN(CC1)C1CC1)c1ccc(CNc2n[nH]c3ccccc23)cc1

O=C(N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1)c1ccccc1

O=C(NCCc1ccccc1)c1ccc(CNc2n[nH]c3ccccc23)cc1

CN1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Oc1c2cccc3[nH][nH]c(c23)c2ccccc12

FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

FC(F)(F)Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

FC(F)(F)Oc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Fc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Clc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Brc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Ic1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Ic1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Fc1ccc(cc1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1)C(F)(F)F

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

FC(F)(F)c1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)c(c1)C(F)(F)F

Fc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)c(F)c1

Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)c(Cl)c1

Brc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)c(Br)c1

Clc1cccc(Cl)c1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Clc1ccc(Cl)c(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Fc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)c(Cl)c1

Fc1cccc(Cl)c1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Fc1ccc(Cl)c(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Fc1cccc(C(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)c1Cl

FC(F)(F)c1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)c(Cl)c1

FC(F)(F)c1cccc(Cl)c1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

FC(F)(F)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Cc1cccc(Cl)c1C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Cc1ccc(Cl)c(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

COc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)c(Cl)c1

Clc1ccccc1NC(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

Cc1cc(Cl)ccc1NC(=O)N1CCN(CC1)C(=O)c1ccc(CNc2n[nH]c3ccccc23)cc1

FC(F)(F)c1cc(NC(=O)N2CCN(CC2)C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)cc(c1)C(F)(F)F

Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(CNc2n[nH]c3ccccc23)c1

Brc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(CNc2n[nH]c3ccccc23)c1

FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(CNc2n[nH]c3ccccc23)c1

Fc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4ccccc34)c2)c(F)c1

Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4ccccc34)c2)c(Cl)c1

Fc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4ccccc34)c2)c(Cl)c1

Fc1cccc(Cl)c1C(=O)N1CCN(CC1)C(=O)c1cccc(CNc2n[nH]c3ccccc23)c1

Fc1ccc(cc1C(=O)N1CCN(CC1)C(=O)c1cccc(CNc2n[nH]c3ccccc23)c1)C(F)(F)F

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(CC1)C(=O)c1cccc(CNc2n[nH]c3ccccc23)c1

Cn1nc(NCc2cccc(c2)C(=O)N2CCN(CC2)C(=O)c2ccc(Cl)cc2Cl)c2ccccc12

Cc1cccc2c(NCc3cccc(c3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)n[nH]c12

Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4cccc(Cl)c34)c2)c(Cl)c1

Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4ccc(Cl)cc34)c2)c(Cl)c1

Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4cc(Cl)ccc34)c2)c(Cl)c1

Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4ccc(Br)cc34)c2)c(Cl)c1

Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4cc(Br)ccc34)c2)c(Cl)c1

Fc1cccc2[nH]nc(NCc3cccc(c3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)c12

Fc1ccc2c(NCc3cccc(c3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)n[nH]c2c1

Fc1ccc2c(NCc3cccc(c3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)n[nH]c2c1F

Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4cccc(I)c34)c2)c(Cl)c1

[O-][N+](=O)c1cc(Cl)c2[nH]nc(NCc3cccc(c3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)c2c1

Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)c1

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)NC1CCCC(C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c(nn2ccccc12)-c1ccccc1 |r,wU:20.23,(-11.79,-1.87,;-11.79,-3.44,;-13.19,-4.22,;-10.46,-4.22,;-9.13,-3.44,;-7.81,-4.22,;-6.48,-3.44,;-6.48,-1.87,;-5.15,-4.22,;-3.83,-3.44,;-2.42,-4.22,;-1.09,-3.44,;-1.09,-1.87,;-2.42,-1.17,;-3.83,-1.87,;.23,-1.17,;.23,.39,;1.56,-1.87,;1.72,-3.44,;3.2,-3.75,;3.98,-2.42,;2.97,-1.25,;5.54,-2.26,;6.17,-.86,;5.31,.39,;5.93,1.8,;7.42,1.95,;8.04,3.36,;8.35,.7,;7.73,-.7,;9.92,.86,;10.93,-.23,;12.34,.39,;12.18,1.87,;13.19,3.04,;12.73,4.53,;11.24,4.84,;10.15,3.67,;10.62,2.19,;10.62,-1.8,;11.71,-2.81,;11.4,-4.29,;9.92,-4.84,;8.82,-3.75,;9.13,-2.26,)|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@@H](C1)Nc1nccc(n1)-c1c(nn2cccc(C)c12)-c1ccccc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@@H](C1)Nc1nccc(n1)-c1c(nn2cc(C)ccc12)-c1ccccc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccc(F)cc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1cccc(Cl)c1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccc(Cl)cc1 |r|

C[C@@H]1CN(C[C@H]1Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1)C(=O)c1ccc(NC(=O)\C=C\CN(C)C)cc1 |r|

C[C@@H]1CN(C[C@@H]1Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1)C(=O)c1ccc(NC(=O)\C=C\CN(C)C)cc1 |r|

C[C@H]1CN(C[C@@H]1Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1)C(=O)c1ccc(NC(=O)\C=C\CN(C)C)cc1 |r|

C[C@H]1CN(C[C@H]1Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1)C(=O)c1ccc(NC(=O)\C=C\CN(C)C)cc1 |r|

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@@H](C1)Nc1nccc(n1)-c1c(nn2ccccc12)-c1ccccc1 |r|

Fc1ccc(cc1F)C(=O)\C=C\C(=O)NCCOCCOCCNC(=O)c1cccnc1Oc1ccccc1

CNc1ncc2cc(-c3cc(F)ccc3F)c(=O)n(CCCCN)c2n1

Fc1ccc(Br)cc1-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2=O)c2nccnc2n1

Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1 |r|

CNC(=O)Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1 |r|

Oc1cc(F)c2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1 |r|

CNC(=O)Oc1cc(F)c2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1 |r|

O=C(C1CC1)N1CCC[C@@H](C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2c1 |r|

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

FC(F)(Br)C(=O)Nc1ccc2OCOc2c1

FC(F)(Cl)C(=O)c1cnc2ccccn12

FC(F)(Cl)C(=O)Nc1nncs1

FC(F)(Br)C(=O)Nc1nncs1

FC(F)(I)C(=O)Nc1nncs1

FC(F)(Cl)C(=O)Nc1nnc(s1)-c1ccncc1

FC(F)(Br)C(=O)Nc1nnc(s1)-c1ccncc1

FC(F)(I)C(=O)Nc1nnc(s1)-c1ccncc1

FC(F)(Br)C(=O)Nc1nccs1

Nc1nnc(s1)-c1ccncc1

CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1

CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)C(C)C

CCOC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12

CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|

CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c[nH]c2ccccc12

CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12

CC(=O)NCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1cnc2ccccn12

CCNC(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CN(C)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-n1ccc2ccccc12

CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CN(C)CC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CCNC(=O)N1CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CC1CCN(CC1)NC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12

CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12

CNC(=O)CN1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CNC(=O)CN1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccccc2)n1

CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(N)cc2)n1

CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(NC(N)=O)cc2)n1

CC(=O)Nc1ccc(Nc2nc(NCC(C)(C)C)ncc2C(N)=O)cc1

CC(=O)Oc1ccc(Nc2nc(NCC(C)(C)C)ncc2C(N)=O)cc1

COc1cc(Nc2nc(NCC(C)(C)C)ncc2C(N)=O)ccc1O

CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(N)c(N)c2)n1

CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(NC(N)=O)c(NC(N)=O)c2)n1

CC(C)(C)CNc1ncc(F)c(Nc2ccccc2C(N)=O)n1

CC(C)(C)CNc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1

CC(C)(C)CNc1ncc(Br)c(Nc2ccccc2C(N)=O)n1

COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

Oc1cc2nc(-c3ccc4OCCOc4c3)n(-c3ccnc(N[C@H]4CCCN(C4)C(=O)C4CC4)n3)c2cc1O |r|

NC(=O)N1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@@H]2CCN(C2)C(=O)C2CC2)n1 |r|

O=C(C1CC1)N1CCC[C@H](C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2c1 |r|

O=C(C1CC1)N1CCCC[C@@H](C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2c1 |r|

O=C(C1CC1)N1CCC[C@@H](C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2occc2c1 |r|

O=C(C1CC1)N1CCC[C@@H](C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2OCCc2c1 |r|

O=C(C1CC1)c1cccc(Nc2nccc(n2)-n2c(CC#N)cnc2-c2ccc3ccccc3c2)c1

Clc1ccc(cc1Cl)-c1ncc(CC#N)n1-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

Clc1ccc(cc1Cl)-c1ncc(CC#N)n1-c1ccnc(NC(=O)NC2CCCN(C2)C(=O)C2CC2)n1

Clc1ccc(cc1Cl)-c1ncc(CC#N)n1-c1ccnc(N[C@H]2CCCN(C2)C(=O)NC2CC2)n1 |r|

CC(C)(C)C(=O)N1CCC[C@@H](C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc(Cl)c(Cl)c1 |r|

CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

NC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

CNC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

NC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

CCOC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

CNC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

CCOC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(c2C1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

CNC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(c2C1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

Fc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\c3cccc(Cl)c3Cl)c2c1

Clc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\c3cccc(Cl)c3Cl)c2c1

CC(=O)Nc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\c3cccc(Cl)c3Cl)c2c1

CN1CCC(CC1)C(=O)Nc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\c3cccc(Cl)c3Cl)c2c1

COc1cc(Nc2nccc(N3CCCn4nc(C#C[C@@](C)(O)c5nccs5)cc43)n2)cc(OC)c1

O=C(NC1COC1)c1cc(-n2ncc3cc(Nc4c(F)cccc4Cl)cnc32)cs1

O=C(c1ccc(CNc2n[nH]c3cccc(Cl)c23)cc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1

O=C(C1CC1)N1CCC[C@@H](Nc2nccc(-n3c(-c4ccc5c(c4)OCCO5)nc4cc(O)c(O)cc43)n2)C1

N#CCc1cn(-c2cccc(NC3CCCN(C(=O)C4CC4)C3)c2)c(-c2ccc3ccccc3c2)n1

CNC(=O)Oc1cc2c(cc1F)nc(-c1ccc3ccccc3c1)n2-c1ccnc(N[C@@H]2CCCN(C(=O)C3CC3)C2)n1

CCOc1ccc2[nH]nc(-c3ccc(NC(C)=O)cc3)c2c1

CCOc1ccc2[nH]nc(-c3cccc(NC(C)=O)c3)c2c1

CCOc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1

COc1cc(-c2n[nH]c3ncc(-c4ccc(C)c(NCCO)c4)cc23)cc(OC)c1OC

COc1ccc(S(=O)(=O)NCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(O)c3)ccn2)cc1

CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccccc3)c2)c(-c2cccc(O)c2)n1

CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccc(Br)cc3)c2)c(-c2cccc(O)c2)n1

CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccc(Cl)cc3)c2)c(-c2cccc(O)c2)n1

CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccc(F)cc3)c2)c(-c2cccc(O)c2)n1

COc1ccc(S(=O)(=O)NCCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(O)c3)ccn2)cc1

Cc1ccc(S(=O)(=O)NCCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(O)c3)ccn2)cc1

CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c(-c2cccc(O)c2)n1

CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3cccc(F)c3)c2)c(-c2cccc(O)c2)n1

CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3cccc4ccccc34)c2)c(-c2cccc(O)c2)n1

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1Cl

C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

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

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

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

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

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

c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O

COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O |r|

CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|

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

CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1

CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)|

C1CC(CCN1)Nc1nccc(n1)-c1cnc2ccccn12

C1CC(CCN1)Nc1cccc(n1)-c1n[nH]c2ccccc12

CC1(C)CC(CC(C)(C)N1O)NC(=O)CCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12

OC(=O)CCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NCC(=O)NCC(=O)NCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12 |r|

Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)NC1CC1

Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1

Cc1ccc(cc1-c1ccc2c(nncc2c1)-c1ccccc1)C(=O)NC1CC1

C[C@@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|

C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|

CC(C)Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1

O=C(NC1CC1)c1cccc(c1)-c1ccc2c(nncc2c1)N1CCOCC1

C[C@H]1COCCN1c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 |r|

Cc1ccc(cc1-c1ccc2c(nncc2c1)N1CCOCC1)C(=O)NC1CC1

Cc1ccc(cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1)C(=O)NC1CC1

COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1

Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl

Cc1ccnc(=S)[nH]1

CC(C)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1

Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CC2)n1

Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCCC2)n1

C[C@H](CC(O)=O)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1 |r|

Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCC2)n1

CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1

CC(C)Nc1nccc(n1)-c1cn[nH]c1

CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCCO1

CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1

CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCOCC1

CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCNC1

CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCN(CC1)S(C)(=O)=O

CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(C)nc1

C1CCC(C1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1

O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|

OC1CCCC(C1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:8.11,wD:5.4,(22.41,-2.51,;22.42,-.98,;20.88,-.96,;23.96,-1,;22.44,.56,;23.79,1.31,;25.11,.52,;26.46,1.27,;26.48,2.81,;25.16,3.6,;23.82,2.85,;27.94,3.29,;28.41,4.76,;29.95,4.76,;30.43,3.3,;29.2,2.4,;29.2,.86,;27.87,.09,;27.87,-1.46,;29.21,-2.23,;30.54,-1.46,;31.88,-2.23,;31.88,-3.77,;30.64,-4.66,;31.11,-6.13,;32.66,-6.12,;33.13,-4.66,;30.54,.09,)|

CC(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:7.10,wD:4.3,(-8.79,-14.61,;-7.44,-13.86,;-7.42,-12.32,;-6.12,-14.65,;-4.78,-13.9,;-3.45,-14.69,;-2.1,-13.94,;-2.09,-12.4,;-3.41,-11.62,;-4.75,-12.36,;-.63,-11.92,;-.15,-10.45,;1.39,-10.45,;1.87,-11.91,;.63,-12.82,;.63,-14.36,;-.69,-15.13,;-.7,-16.67,;.64,-17.44,;1.97,-16.67,;3.31,-17.44,;3.31,-18.98,;2.07,-19.88,;2.55,-21.34,;4.09,-21.34,;4.56,-19.87,;1.97,-15.12,)|

Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1

Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1

Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|

CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|

CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1

COc1ccc(CNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1

[O-][N+](=O)c1cnc(Sc2nnc(NCC3CCCO3)s2)s1

CCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1

COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC

CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1

c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5

CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1

CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F

CN(C)c1c(cnn1Cc1ccccc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.26,wD:21.22,(-.4,-38.39,;-1.54,-37.36,;-1.22,-35.86,;-3.01,-37.84,;-4.26,-36.93,;-5.5,-37.84,;-5.03,-39.31,;-3.49,-39.3,;-2.7,-40.63,;-3.46,-41.97,;-5,-41.98,;-5.75,-43.32,;-4.97,-44.65,;-3.42,-44.62,;-2.67,-43.29,;-4.26,-35.39,;-5.59,-34.62,;-5.59,-33.07,;-4.26,-32.3,;-2.92,-33.06,;-1.6,-32.29,;-.26,-33.06,;-.26,-34.6,;1.07,-35.36,;2.4,-34.59,;3.74,-35.36,;2.4,-33.05,;1.07,-32.28,;-2.92,-34.62,)|

O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1 |r,wU:1.0,wD:4.7,(27.93,-38.08,;26.61,-37.31,;25.27,-38.08,;23.94,-37.31,;23.94,-35.78,;25.26,-34.99,;26.6,-35.77,;22.6,-35.02,;21.27,-35.79,;19.93,-35.03,;18.61,-35.8,;18.61,-37.34,;19.94,-38.11,;21.28,-37.34,;19.94,-39.66,;21.19,-40.56,;20.71,-42.02,;19.17,-42.02,;18.7,-40.56,;17.37,-39.78,;16.04,-40.55,;14.72,-39.77,;14.72,-38.23,;16.07,-37.47,;17.38,-38.24,)|

CN(C)CCCC(=O)Nc1cc(cc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12)C(O)=O

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

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

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

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

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

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

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

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

COC(=O)c1c(ccs1)NC(=O)Cc2cccs2

COC(=O)c1sccc1NC(=O)Cc1ccccc1

COC(=O)c1sccc1NC(=O)Cc1ccncc1

COC(=O)c1sccc1NC(=O)Cc1ccc(OC)cc1

COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)-c1ccncc1

COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)-n1ccnc1

COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)C(F)(F)F

COC(=O)c1sccc1NC(=O)Cc1ccc2ccccc2c1

COC(=O)c1sccc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1sccc1NC(=O)Cc1ccccc1-c1c[nH]nn1

COC(=O)c1sccc1NC(=O)Cc1cccc2cnccc12

COC(=O)c1sccc1NC(=O)Cc1cccc2ncccc12

CC(=O)c1sccc1NC(=O)Cc1ccccc1

CCOC(=O)c1sccc1NC(=O)Cc1ccccc1

CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1

NC(=O)c1sccc1NC(=O)Cc1ccccc1

COCCNC(=O)c1sccc1NC(=O)Cc1ccccc1

COC(=O)c1nnsc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1nonc1NC(=O)Cc1cccc2ccccc12

CCOC(=O)c1c(C)nsc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1scnc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1cccnc1NC(=O)Cc1cccc2ccccc12

Cc1ccncc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1cscc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1[nH]ncc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1cnccc1NC(=O)Cc1cccc2ccccc12

O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1nnc[nH]1

Cc1nnc([nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12

COc1ccc(CC(=O)Nc2ccsc2N2CCOC2=O)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1

COc1ccc(CC(=O)Nc2ccsc2-c2nnc(N)[nH]2)cc1

O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1nnc[nH]1

COC(=O)c1ncsc1NC(=O)Cc1cccc2cnccc12

O=C(Cc1cccc2cnccc12)Nc1scnc1-c1nnc[nH]1

Clc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1

COC(=O)N1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O

O=c1n(CC2CCOCC2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1

c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6

O=c1n(Cc2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1

O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1

Fc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1

FC(F)(F)CN1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O

O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1

O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1

O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1

Nc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1

O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1

O=c1[nH]nc(-c2ccnc(NC3CCC3)c2)n1-c1ccc2ccccc2c1

O=c1[nH]nc(-c2ccnc(Nc3ccccn3)c2)n1-c1ccc2ccccc2c1

Nc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1

O=c1[nH]nc(-c2ccnc(Nc3cccnc3)c2)n1-c1ccc2ccccc2c1

O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1

O=c1[nH]nc(-c2ccnc(NC3CC3)c2)n1-c1ccc2ccccc2c1

Brc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1

O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCNCC1

O=C(Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)C1CC1

O=c1[nH]nc(-c2ccnc(Nc3ccccc3)c2)n1-c1ccc2ccccc2c1

CC(=O)Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1

Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1

C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|

CCN1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O

O=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1

O=c1[nH]nc(-c2ccnc(NC3CCCC3)c2)n1-c1ccc2ccccc2c1

O=c1[nH]nc(-c2ccnc(Nc3nccs3)c2)n1-c1ccc2ccccc2c1

O=C(Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1

COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OC)cc1

CCc1csc(NC(=O)Cc2ccc(OC)cc2)c1C(=O)OC

CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C1CC1

CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C(F)(F)F

CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#N

CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#C

COC(=O)c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1

COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1

COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1

COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCC2)cc1

COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cc[nH]c12

COC(=O)c1c(C)csc1NC(=O)Cc1cccc2nccnc12

COC(=O)c1c(C)csc1NC(=O)Cc1cccc2ncccc12

COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cnccc12

COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12

COc1ccc(CC(=O)Nc2scc(C)c2-c2nnc(C)[nH]2)cc1

Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1

Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12

Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12

Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1

Cc1nnc([nH]1)-c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12

Cc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1

Brc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1

Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1

O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1nnc[nH]1

Brc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nnc[nH]1

Clc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nnc[nH]1

O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1

Brc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1

Clc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1

Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1

c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl

Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1

C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3ccc(cc3n2)-c2cn[nH]c2)cc1

Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)-c3ccccn3)nc2c1

Cc1ccc(cn1)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12

Cn1cc(cn1)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12

COc1ccc(cc1F)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12

C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4nccs4)c3n2)cc1

C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4ccccc4)c3n2)cc1

Cc1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4nccs4)c3n2)cc1

CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F

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

NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12

NC(=O)c1ccsc1NC(=O)Cc1ccccc1Cl

NC(=O)c1ccsc1NC(=O)Cc1ccc2OCOc2c1

NC(=O)c1ccsc1NC(=O)Cc1cccc(Br)c1

NC(=O)c1ccsc1NC(=O)Cc1cccc(I)c1

CCOc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1

NC(=O)c1ccsc1NC(=O)Cc1cc(Cl)c2OCCCOc2c1

COc1ccc(C)cc1CC(=O)Nc1sccc1C(N)=O

NC(=O)c1ccsc1NC(=O)Cc1ccc2CCCc2c1

NC(=O)c1ccsc1NC(=O)Cc1csc2nc(cn12)-c1cccs1

Cc1cnc2sc(CC(=O)Nc3sccc3C(N)=O)cn12

NC(=O)c1ccsc1NC(=O)Cc1cccc(Cl)c1

COc1cccc(CC(=O)Nc2sccc2C(N)=O)c1

Cc1cc(C)cc(CC(=O)Nc2sccc2C(N)=O)c1

NC(=O)c1ccsc1NC(=O)Cc1ccc2OCCOc2c1

NC(=O)c1ccsc1NC(=O)Cc1ccccc1Br

NC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)[N+]([O-])=O

COc1cc(CC(=O)Nc2sccc2C(N)=O)cc(OC)c1

NC(=O)c1ccsc1NC(=O)Cc1cccs1

NC(=O)c1ccsc1NC(=O)Cc1ccccc1I

NC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)C#N

NC(=O)c1ccsc1NC(=O)Cc1ccccc1

NC(=O)c1ccsc1NC(=O)Cc1ccc2CCCCc2c1

Cc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1

NC(=O)c1ccsc1NC(=O)Cc1cc(F)cc2COCOc12

NC(=O)c1ccsc1NC(=O)Cc1ccc(F)cc1

NC(=O)c1ccsc1NC(=O)Cc1cccc2ccccc12

Cc1cccc(CC(=O)Nc2sccc2C(N)=O)c1

COc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1

NC(=O)c1ccsc1NC(=O)Cc1ccc(OC(F)(F)F)cc1

NC(=O)c1ccsc1NC(=O)Cc1cc(F)ccc1F

NC(=O)c1ccsc1NC(=O)c1ccccc1

Cc1ccccc1CC(=O)Nc1sccc1C(N)=O

NC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)C(F)(F)F

NC(=O)c1ccsc1NC(=O)Cc1c(F)cccc1F

NC(=O)c1ccsc1NC(=O)Cc1cccc(c1)C(F)(F)F

NC(=O)c1ccsc1NC(=O)CN1CCN(Cc2ccco2)CC1

NC(=O)c1ccsc1NC(=O)Cc1cccnc1

NC(=O)c1ccsc1NC(=O)Cc1cc(F)cc(F)c1

NC(=O)c1ccsc1NC(=O)Cc1ccccc1F

NC(=O)c1ccsc1NC(=O)Cc1cccc(F)c1

NC(=O)c1ccsc1NC(=O)Cc1c[nH]c2ccccc12

NC(=O)c1ccsc1NC(=O)Cc1ccc(F)cc1F

NC(=O)c1ccsc1NC(=O)Cc1ccc(F)c(F)c1

COc1ccccc1CC(=O)Nc1sccc1C(N)=O

NC(=O)c1ccsc1NC(=O)Cc1c(F)cccc1Cl

NC(=O)c1ccsc1NC(=O)Cc1ccc(Cl)cc1

NC(=O)c1ccsc1NC(=O)Cc1cccc(c1)C#N

Cc1sc(NC(=O)Cc2cccc3ccccc23)c(C(N)=O)c1C

CC1CN(CC(=O)Nc2sccc2C(N)=O)CC(C)O1

NC(=O)c1ccsc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F

NC(=O)c1ccsc1NC(=O)CN1CCN(CC1)C(=O)C1CC1

NC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12

OC(=O)c1ccsc1NC(=O)Cc1cccc2ccccc12

COC(=O)c1ccsc1NC(=O)Cc1cccc2ccccc12

O=C(Cc1cccc2ccccc12)Nc1sccc1C#N

NC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)s1

NC(=O)c1ccsc1NC(=O)CCc1ccccc1

NC(=O)c1ccsc1NC(=O)\C=C\c1ccccc1

Cc1csc(NC(=O)Cc2cccc3ccccc23)c1C(N)=O

Cc1cc(C(N)=O)c(NC(=O)Cc2cccc3ccccc23)s1

COc1ccc2c(CC(=O)Nc3sccc3C(N)=O)c(Br)ccc2c1

COc1ccc2cc(Br)ccc2c1CC(=O)Nc1sccc1C(N)=O

NC(=O)c1ccsc1NC(=O)Cc1ccc2ccccc2c1

NC(=O)c1ccsc1NC(=O)Cc1nc(cs1)-c1cccs1

CC(C)Cc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1

NC(=O)c1ccsc1NC(=O)Cc1csc(n1)-c1ccccc1

NC(=O)c1ccsc1NC(=O)Cc1coc2ccccc12

NC(=O)c1ccsc1NC(=O)Cc1nc2ccccc2[nH]1

NC(=O)c1ccsc1NC(=O)Cc1ccc(Br)cc1

NC(=O)c1ccsc1NC(=O)Cc1cccc(c1)[N+]([O-])=O

CC(C)c1ccc(CC(=O)Nc2sccc2C(N)=O)cc1

COc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1OC

NC(=O)c1ccsc1NC(=O)Cc1ccc2ccc3cccc4ccc1c2c34

NC(=O)c1ccsc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F

NC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)-c1ccccc1

NC(=O)c1ccsc1NC(=O)CN1CCOCC1

O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1

NS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1

C[C@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C

Clc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1

NNc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1

Clc1nnn(c1-c1ccc2ccccc2c1)-c1ccncc1

c1nnn(c1-c1ccc2ccccc2c1)-c1ccncc1

c1cc(-c2ccc3ccccc3c2)n(n1)-c1ccncc1

c1cc(-c2ccncc2)n(n1)-c1ccc2ccccc2c1

c1ccc2cc(ccc2c1)-c1nnnn1-c1ccncc1

c1cn(c(n1)-c1ccncc1)-c1ccc2ccccc2c1

c1nnn(c1-c1ccncc1)-c1ccc2ccccc2c1

c1ccc2cc(ccc2c1)-c1[nH]nnc1-c1ccncc1

c1[nH]nc(c1-c1ccncc1)-c1ccc2ccccc2c1

c1ccc2cc(ccc2c1)-c1ncncc1-c1ccncc1

S=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1

S=c1[nH]nc(-c2ccncc2)n1-c1cnc2ccccc2c1

Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1

Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1cnc2ccccc2c1

Fc1cnccc1-c1n[nH]c(=S)n1-c1ccc2ccccc2c1

Brc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1

S=c1[nH]nc(-c2ccncc2)n1-c1ccc2ncccc2c1

Nc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1

S=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1

S=c1[nH]nc(-c2ccnc(NCC3CC3)c2)n1-c1ccc2ccccc2c1

FC(F)(F)c1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1

c1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1

Cc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1

c1ccc2cc(ccc2c1)-n1nnnc1-c1ccncc1

Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO

Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5

c1cc2cc[nH]c2nc1

Fc1ccc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccncc12

Fc1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1

Fc1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2cccnc2c1

FC(F)(F)c1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1

FC(F)(F)c1ccc(CC(=O)Nc2scc(Cl)c2-c2nnc[nH]2)c2cccnc12

Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nnc[nH]1

O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1

Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1nnc[nH]1

FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2cn1

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2n1

Brc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1nnc[nH]1

FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccn2n1

Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2cc1F

FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1

FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1

FC(F)(F)c1cccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc12

FC(F)(F)Oc1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1

FC(F)(F)Oc1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1

Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1

Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1

CC(C)C[C@@H](NC(=O)CNC(=O)CNC(=O)CCCNC(=O)C1=CC=C(C=C1)C1=NNC2=C1C=CC=C2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O |r,c:24,26,32,35,37,t:22,29|

[#6]-[#6](-[#6])-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@H](-[#6@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12 |r|

NCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12

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

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

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

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

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

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

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

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

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

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

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

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

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

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

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

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

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

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|

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

COc1ccc(Oc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1

COc1ccc(Oc2cc(Nc3ccccc3-c3nnc[nH]3)c(Cl)cn2)cc1

CNC(=O)c1ccccc1Nc1cc(Oc2ccc(OC)cc2)ncc1Cl

NC(=O)c1ccccc1Nc1cc(Oc2ccc(cc2)-c2cccnc2)ncc1C(F)(F)F

NC(=O)c1ccccc1Nc1cc(Oc2ccc3OCOc3c2)ncc1C(F)(F)F

NC(=O)c1ccccc1Nc1cc(Oc2cccc3ccccc23)ncc1C(F)(F)F

COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)c(Cl)c1

NC(=O)c1ccccc1Nc1cc(Oc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

NC(=O)c1ccccc1Nc1cc(Oc2ccc(Br)cc2)ncc1C(F)(F)F

NC(=O)c1ccccc1Nc1cc(Oc2ccc(F)cc2)ncc1C(F)(F)F

CC(C)(C)Oc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1

CCCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1

CCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1

COc1ccccc1Oc1cc(Nc2ccccc2C(N)=O)c(cn1)C(F)(F)F

COc1cccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)c1

COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1

COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(Cl)cn2)cc1

COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(F)cn2)cc1

NC(=O)c1ccccc1Nc1ccnc(Oc2ccc(cc2)N2CCNCC2)c1

NC(=O)c1ccccc1Nc1ccnc(Oc2ccccc2)c1

COc1ccc(Oc2cc(N(C)c3ccccc3C(N)=O)c(Cl)cn2)cc1

NC(=O)c1ccccc1Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ncc1C(F)(F)F

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

COc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1

COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5

COc1ccc(Nc2ncc3nc(Nc4ccccc4Cl)n(C4CCCC4)c3n2)cc1

COc1ccc(Nc2ncc3nc(Nc4ccc(F)cc4F)n(C4CCCC4)c3n2)cc1

COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1

CNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1

CCNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1

CC(C)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1

Fc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1

O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-11.53,-21.51,;-10.75,-20.18,;-11.51,-18.84,;-10.74,-17.51,;-9.2,-17.52,;-8.43,-18.84,;-9.2,-20.18,;-8.44,-16.18,;-6.9,-16.18,;-6.13,-14.85,;-4.59,-14.85,;-3.83,-16.18,;-2.33,-16.49,;-2.17,-18.02,;-.84,-18.79,;.49,-18.03,;1.83,-18.8,;3.16,-18.02,;3.16,-16.47,;1.82,-15.71,;.5,-16.48,;-.84,-15.71,;-3.58,-18.65,;-3.58,-20.19,;-4.83,-21.09,;-4.36,-22.55,;-2.82,-22.56,;-2.34,-21.1,;-4.6,-17.51,;-6.13,-17.51,)|

N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(6.38,-21.6,;7.16,-20.27,;6.39,-18.93,;7.16,-17.6,;8.7,-17.61,;9.48,-18.94,;8.7,-20.27,;9.47,-16.28,;11.01,-16.28,;11.78,-14.94,;13.31,-14.95,;14.07,-16.28,;15.58,-16.59,;15.73,-18.12,;17.06,-18.89,;18.4,-18.12,;19.73,-18.89,;21.07,-18.12,;21.06,-16.57,;19.73,-15.8,;18.4,-16.57,;17.07,-15.8,;14.33,-18.75,;14.33,-20.28,;13.08,-21.18,;13.55,-22.65,;15.09,-22.65,;15.57,-21.19,;13.3,-17.6,;11.77,-17.6,)|

CCn1c(Nc2ccccc2F)nc2cnc(Nc3ccc(OC)cc3)nc12

COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1

COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1

COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(-c4ccccc4)c3n2)cc1

COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@H]4CC[C@H](N)CC4)c3n2)cc1 |r,wU:22.22,wD:25.26,(-13.48,-37.94,;-11.94,-37.94,;-11.16,-36.6,;-11.95,-35.27,;-11.17,-33.93,;-9.63,-33.94,;-8.86,-32.6,;-7.31,-32.6,;-6.54,-31.27,;-5.01,-31.27,;-4.25,-32.6,;-2.74,-32.92,;-2.59,-34.45,;-1.25,-35.22,;.08,-34.45,;1.42,-35.22,;2.76,-34.45,;2.75,-32.89,;1.41,-32.13,;.08,-32.9,;-1.25,-32.13,;-3.99,-35.07,;-4,-36.61,;-2.67,-37.37,;-2.68,-38.91,;-4.01,-39.68,;-4.02,-41.22,;-5.34,-38.9,;-5.33,-37.37,;-5.02,-33.93,;-6.55,-33.93,;-8.85,-35.26,;-9.61,-36.6,)|

COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:22.22,25.26,(4.81,-38.68,;6.35,-38.68,;7.12,-37.34,;6.35,-36.01,;7.12,-34.67,;8.66,-34.68,;9.43,-33.35,;10.97,-33.34,;11.74,-32.01,;13.27,-32.01,;14.04,-33.34,;15.54,-33.66,;15.7,-35.19,;17.03,-35.96,;18.37,-35.19,;19.7,-35.96,;21.04,-35.19,;21.04,-33.64,;19.7,-32.87,;18.37,-33.64,;17.03,-32.87,;14.29,-35.82,;14.29,-37.35,;12.95,-38.11,;12.94,-39.64,;14.27,-40.42,;14.26,-41.96,;15.61,-39.66,;15.62,-38.11,;13.26,-34.67,;11.74,-34.67,;9.43,-36,;8.67,-37.34,)|

COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCOCC4)c3n2)cc1

COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1 |r,wU:22.22,25.29,(14.63,-45.79,;16.17,-45.79,;16.94,-44.45,;16.17,-43.11,;16.94,-41.78,;18.48,-41.79,;19.25,-40.45,;20.79,-40.45,;21.56,-39.12,;23.09,-39.12,;23.86,-40.45,;25.36,-40.76,;25.52,-42.29,;26.85,-43.06,;28.19,-42.29,;29.52,-43.07,;30.86,-42.29,;30.85,-40.74,;29.52,-39.98,;28.19,-40.75,;26.85,-39.98,;24.11,-42.92,;24.11,-44.46,;22.77,-45.21,;22.77,-46.74,;24.09,-47.52,;25.43,-46.76,;25.44,-45.22,;24.08,-49.06,;25.41,-49.84,;22.74,-49.83,;23.08,-41.77,;21.56,-41.77,;19.25,-43.11,;18.49,-44.44,)|

N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-8.05,-2.1,;-7.28,-.77,;-5.74,-.77,;-4.96,.56,;-5.74,1.89,;-7.27,1.89,;-8.04,.57,;-4.97,3.22,;-3.43,3.22,;-2.66,4.56,;-1.12,4.55,;-.36,3.22,;1.14,2.91,;1.29,1.38,;2.63,.61,;3.96,1.38,;3.96,2.92,;2.63,3.69,;5.29,3.7,;6.63,2.93,;6.63,1.38,;5.3,.61,;5.3,-.93,;-.11,.75,;-.11,-.78,;-1.36,-1.68,;-.89,-3.15,;.65,-3.15,;1.13,-1.69,;-1.14,1.9,;-2.66,1.9,)|

N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(9.91,-2.33,;10.68,-1,;12.22,-1.01,;13,.33,;12.22,1.65,;10.69,1.66,;9.92,.33,;12.99,2.99,;14.53,2.99,;15.3,4.32,;16.83,4.32,;17.6,2.99,;19.1,2.68,;19.25,1.15,;20.59,.38,;21.92,1.15,;21.92,2.69,;20.59,3.46,;23.25,3.46,;24.59,2.7,;25.92,3.47,;24.59,1.15,;23.26,.38,;23.25,-1.16,;17.85,.52,;17.85,-1.02,;16.6,-1.92,;17.07,-3.38,;18.61,-3.39,;19.09,-1.93,;16.82,1.67,;15.3,1.67,)|

N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)|

O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)|

CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:4.3,wD:28.29,7.10,(11.28,-17.55,;12.05,-16.21,;13.59,-16.22,;14.36,-17.55,;14.36,-14.88,;13.6,-13.55,;14.36,-12.22,;15.9,-12.22,;16.68,-13.54,;15.9,-14.88,;16.66,-10.88,;18.2,-10.88,;18.96,-9.55,;20.51,-9.54,;21.27,-10.87,;22.77,-11.19,;22.93,-12.71,;24.27,-13.47,;25.6,-12.7,;25.59,-11.17,;24.25,-10.41,;26.91,-10.39,;28.26,-11.16,;29.59,-10.38,;28.26,-12.7,;26.93,-13.47,;26.93,-15.01,;21.54,-13.33,;21.09,-14.81,;19.64,-15.31,;19.67,-16.85,;21.15,-17.3,;22.03,-16.04,;20.51,-12.2,;18.97,-12.2,)|

CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.20,23.24,(16.31,-.3,;17.85,-.29,;18.62,1.04,;18.63,-1.63,;20.16,-1.62,;20.92,-.29,;22.47,-.29,;23.24,-1.62,;24.73,-1.93,;24.9,-3.45,;26.23,-4.22,;27.56,-3.44,;27.55,-1.91,;26.21,-1.15,;28.87,-1.13,;30.22,-1.9,;30.22,-3.44,;28.89,-4.22,;28.89,-5.76,;23.5,-4.08,;22.76,-5.42,;21.21,-5.45,;20.47,-6.79,;21.26,-8.11,;20.51,-9.46,;22.8,-8.08,;23.55,-6.73,;22.48,-2.94,;20.93,-2.94,)|

CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1 |r,wU:21.21,24.28,(-6.14,-14,;-4.6,-14,;-3.83,-12.66,;-3.82,-15.33,;-2.28,-15.33,;-1.52,-14,;.02,-13.99,;.79,-15.32,;2.28,-15.64,;2.45,-17.16,;3.78,-17.92,;5.12,-17.15,;5.1,-15.62,;3.76,-14.86,;6.43,-14.84,;7.77,-15.61,;9.1,-14.83,;7.78,-17.15,;6.45,-17.92,;6.45,-19.46,;1.05,-17.78,;.31,-19.13,;-1.23,-19.15,;-1.98,-20.49,;-1.19,-21.82,;.35,-21.79,;1.11,-20.44,;-1.94,-23.16,;-3.48,-23.19,;-1.15,-24.48,;.03,-16.65,;-1.52,-16.65,)|

CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)NC3CC3)c2n1 |r,wU:21.21,24.28,(15.56,-14.27,;17.1,-14.26,;17.87,-12.93,;17.88,-15.59,;19.42,-15.59,;20.18,-14.26,;21.72,-14.26,;22.49,-15.59,;23.98,-15.9,;24.15,-17.42,;25.48,-18.18,;26.81,-17.41,;26.8,-15.88,;25.46,-15.12,;28.13,-15.1,;29.47,-15.87,;30.8,-15.09,;29.48,-17.41,;28.14,-18.18,;28.14,-19.72,;22.75,-18.05,;22.01,-19.39,;20.47,-19.41,;19.72,-20.76,;20.51,-22.08,;22.05,-22.05,;22.81,-20.7,;19.76,-23.42,;20.55,-24.75,;18.22,-23.45,;17.43,-22.13,;17.4,-20.59,;16.08,-21.38,;21.73,-16.91,;20.18,-16.91,)|

CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1 |r,wU:21.21,24.28,(-4.33,-32.66,;-2.79,-32.66,;-2.03,-31.32,;-2.02,-33.99,;-.48,-33.98,;.28,-32.66,;1.82,-32.65,;2.59,-33.98,;4.09,-34.29,;4.25,-35.81,;5.59,-36.58,;6.92,-35.8,;6.91,-34.28,;5.57,-33.52,;8.23,-33.5,;9.58,-34.26,;10.91,-33.49,;9.58,-35.8,;8.25,-36.58,;8.25,-38.12,;2.86,-36.44,;2.11,-37.78,;.57,-37.81,;-.17,-39.15,;.62,-40.47,;2.16,-40.45,;2.91,-39.1,;-.13,-41.82,;.66,-43.14,;-1.67,-41.84,;-2.46,-40.52,;-3.99,-40.54,;-4.75,-41.89,;-3.96,-43.21,;-2.42,-43.19,;1.83,-35.31,;.29,-35.31,)|

O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-5.84,-5.68,;-5.07,-4.34,;-5.84,-3.01,;-5.08,-1.68,;-3.54,-1.68,;-2.76,-3.01,;-3.53,-4.34,;-2.77,-.34,;-1.23,-.34,;-.47,.99,;1.07,1,;1.84,-.33,;3.33,-.65,;3.5,-2.17,;4.83,-2.93,;6.16,-2.16,;7.49,-2.93,;8.83,-2.16,;8.82,-.62,;10.15,.16,;7.48,.15,;6.15,-.63,;4.81,.13,;2.1,-2.79,;1.57,-4.24,;.09,-4.65,;.03,-6.19,;1.47,-6.73,;2.43,-5.52,;1.08,-1.66,;-.47,-1.66,)|

O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.0,wD:4.7,(13.36,-4.29,;14.13,-2.95,;13.36,-1.62,;14.13,-.29,;15.66,-.29,;16.45,-1.62,;15.67,-2.95,;16.43,1.05,;17.97,1.06,;18.73,2.39,;20.28,2.39,;21.04,1.06,;22.54,.75,;22.71,-.77,;24.04,-1.54,;25.38,-.77,;26.71,-1.54,;28.04,-.77,;28.03,.78,;29.37,1.55,;26.69,1.54,;25.36,.76,;24.02,1.52,;21.31,-1.4,;20.55,-2.75,;19.02,-2.75,;18.26,-4.09,;19.04,-5.42,;20.59,-5.41,;21.35,-4.06,;20.28,-.27,;18.74,-.27,)|

Fc1ccc(Nc2nc3cnc(nc3n2C2CCCC2)C2CCOCC2)c(F)c1

CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.3,wD:7.10,(12.24,-16.76,;13.78,-16.76,;13,-18.08,;14.55,-18.1,;14.55,-15.43,;13.78,-14.09,;14.55,-12.76,;16.09,-12.76,;16.87,-14.09,;16.09,-15.43,;16.85,-11.43,;18.39,-11.42,;19.15,-10.09,;20.69,-10.09,;21.46,-11.42,;22.96,-11.73,;23.12,-13.25,;24.46,-14.02,;25.79,-13.24,;27.12,-14.02,;28.45,-13.24,;28.45,-11.7,;29.78,-10.92,;27.1,-10.94,;25.78,-11.71,;24.44,-10.95,;21.73,-13.88,;21.25,-15.34,;19.78,-15.8,;19.76,-17.34,;21.22,-17.83,;22.14,-16.6,;20.7,-12.74,;19.16,-12.74,)|

CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:4.3,wD:7.10,(-5.78,-30.64,;-4.24,-30.65,;-5.02,-31.97,;-3.47,-31.98,;-3.47,-29.31,;-4.23,-27.97,;-3.47,-26.64,;-1.93,-26.64,;-1.15,-27.97,;-1.92,-29.31,;-1.16,-25.31,;.38,-25.3,;1.14,-23.97,;2.68,-23.97,;3.45,-25.3,;4.95,-25.61,;5.11,-27.13,;6.45,-27.9,;7.78,-27.12,;9.11,-27.9,;10.44,-27.12,;10.44,-25.58,;11.77,-24.8,;9.09,-24.82,;7.77,-25.59,;6.43,-24.83,;3.72,-27.76,;2.99,-29.12,;1.45,-29.15,;.72,-30.5,;1.53,-31.82,;3.07,-31.78,;3.81,-30.42,;2.69,-26.63,;1.14,-26.62,)|

CCO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:3.2,wD:6.9,(15.15,-29.94,;15.92,-31.28,;17.46,-31.28,;18.23,-29.95,;17.47,-28.61,;18.23,-27.28,;19.77,-27.28,;20.55,-28.61,;19.78,-29.95,;20.54,-25.94,;22.08,-25.94,;22.84,-24.61,;24.38,-24.6,;25.15,-25.93,;26.65,-26.25,;26.81,-27.77,;28.15,-28.53,;29.48,-27.76,;30.81,-28.53,;32.14,-27.76,;32.14,-26.22,;33.47,-25.44,;30.79,-25.45,;29.47,-26.23,;28.13,-25.47,;25.42,-28.4,;24.69,-29.75,;23.15,-29.79,;22.42,-31.14,;23.23,-32.45,;24.77,-32.41,;25.51,-31.05,;24.39,-27.26,;22.84,-27.26,)|

CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:5.4,wD:8.11,(-9.55,-42.42,;-8.78,-43.75,;-8.38,-45.23,;-9.88,-44.84,;-7.24,-43.75,;-6.46,-42.42,;-7.23,-41.08,;-6.47,-39.75,;-4.93,-39.75,;-4.15,-41.08,;-4.92,-42.42,;-4.16,-38.42,;-2.62,-38.41,;-1.86,-37.08,;-.32,-37.08,;.45,-38.41,;1.95,-38.72,;2.11,-40.24,;3.45,-41.01,;4.78,-40.23,;6.12,-41.01,;7.45,-40.23,;7.44,-38.69,;8.77,-37.91,;6.1,-37.92,;4.77,-38.7,;3.43,-37.94,;.72,-40.87,;-.01,-42.23,;-1.55,-42.26,;-2.28,-43.61,;-1.47,-44.93,;.07,-44.88,;.81,-43.53,;-.31,-39.73,;-1.85,-39.73,)|

C[C@]1(O)CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.1,wD:5.8,1.0,(18.03,-43.32,;17.64,-41.84,;16.29,-42.6,;16.87,-40.5,;17.64,-39.17,;19.17,-39.17,;19.96,-40.5,;19.18,-41.84,;19.94,-37.83,;21.48,-37.83,;22.24,-36.5,;23.79,-36.5,;24.56,-37.83,;26.05,-38.14,;26.22,-39.66,;27.55,-40.43,;28.89,-39.65,;30.22,-40.43,;31.55,-39.65,;31.55,-38.11,;32.88,-37.33,;30.2,-37.34,;28.87,-38.12,;27.53,-37.36,;24.82,-40.29,;24.09,-41.65,;22.56,-41.68,;21.83,-43.03,;22.63,-44.35,;24.17,-44.3,;24.91,-42.95,;23.79,-39.15,;22.25,-39.15,)|

CC(C)(O)[C@H]1CC[C@H](C1)c1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r|

COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc4OCOc4c3)c2cc1OC

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccccc3)c2cc1OC

COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1

C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O

COC(=O)c1c(-c2cccc(CO)c2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O

COC(=O)c1c(-c2ccc(CO)cc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O

COC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O

COC(=O)c1c(-c2ccccc2)c2cc(ccc2c(=O)n1Cc1ccccc1)C(O)=O

COC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2c(=O)n1Cc1ccccc1

CCCCc1ccc2c(c1)c(-c1ccccc1)c(C(=O)OC)n(Cc1ccccc1)c2=O

COC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1Cc1ccccc1

COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(=O)(=O)c2ccccc2)cc1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(C)(=O)=O)cc1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(N)cc1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)C(O)=O

COC(=O)c1ccc(Cn2c(C(=O)OC)c(-c3ccccc3)c3cc(Br)ccc3c2=O)cc1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(OC)cc1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1cccc(OC)c1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1OC

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CCc1ccccc1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1

OCc1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O

COC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O

COC(=O)c1c(-c2ccccc2)c2cc(C)ccc2c(=O)n1Cc1ccccc1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)cc1

COC(=O)c1cccc(Cn2c(C(=O)OC)c(-c3ccccc3)c3cc(Br)ccc3c2=O)c1

COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CCCc1ccccc1

OC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1

O=C1c2ccccc2-c2[nH]nc3cccc1c23

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(CC(F)F)n1

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(C)n1

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(CC)n1

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)N(C)C)n(C)n1

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC)n(C)n1

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(C)n1

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n[nH]1)C(=O)NC

CCNC(=O)n1cc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1

CCNC(=O)n1ccc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)n1

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cn(C(=O)NC)c(C)n1

CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(N)=O)n1)S(C)(=O)=O

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(C)=O)n1)S(C)(=O)=O

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CCC(C)(C)O)n1)S(C)(=O)=O

CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(F)F)n1)S(C)(=O)=O

NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N

CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

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

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1

C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1

CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1

CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1

Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1

Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1

Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1

C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1

N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1

CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1

Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1

COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1

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

COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|

Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1

CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1

CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1

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

COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](O)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18|

COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H](CO)C(C)(C)C)c(=O)c2cccnc2n1-c1ccccc1 |r|

COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](O)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18|

COC(=O)c1c(Cc2ccc(cc2)C(=O)NCC(C)(C)O)c(=O)c2cccnc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2cccnc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(13.6,-20.56,;12.27,-19.79,;12.27,-18.25,;13.61,-17.48,;10.94,-17.47,;10.94,-15.92,;12.28,-15.15,;12.27,-13.61,;13.61,-12.85,;13.61,-11.31,;12.28,-10.54,;10.94,-11.31,;10.95,-12.85,;12.28,-9,;13.61,-8.23,;10.94,-8.23,;10.94,-6.69,;9.61,-5.93,;9.61,-4.38,;10.95,-3.61,;10.95,-2.07,;12.28,-4.39,;12.28,-5.92,;9.59,-15.13,;9.59,-13.59,;8.25,-15.91,;6.92,-15.15,;5.59,-15.92,;5.59,-17.47,;6.92,-18.24,;8.25,-17.47,;9.59,-18.24,;9.59,-19.78,;8.25,-20.54,;8.24,-22.08,;9.58,-22.86,;10.92,-22.08,;10.91,-20.55,)|

COC(=O)c1c(Cc2ccc(cc2)C(=O)NC(C)(C)CO)c(=O)c2cccnc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)C(=O)NC2(CO)CC2)c(=O)c2cccnc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2ccc(C)nc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(1.04,-20.36,;-.3,-19.58,;-.29,-18.04,;1.04,-17.28,;-1.62,-17.27,;-1.62,-15.72,;-.28,-14.95,;-.29,-13.41,;1.04,-12.64,;1.04,-11.1,;-.3,-10.34,;-1.63,-11.12,;-1.62,-12.65,;-.3,-8.8,;1.03,-8.02,;-1.64,-8.03,;-1.64,-6.49,;-2.98,-5.73,;-2.98,-4.19,;-1.65,-3.42,;-1.65,-1.88,;-.31,-4.19,;-.31,-5.72,;-2.97,-14.93,;-2.97,-13.39,;-4.31,-15.71,;-5.64,-14.95,;-6.97,-15.72,;-6.97,-17.26,;-8.31,-18.03,;-5.64,-18.03,;-4.31,-17.27,;-2.97,-18.04,;-2.97,-19.57,;-4.31,-20.34,;-4.32,-21.88,;-2.98,-22.65,;-1.64,-21.88,;-1.65,-20.34,)|

COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2cccnc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](N)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18|

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5

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

COC(=O)c1c(CN2CC[C@H](C2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1 |r|

COC(=O)c1c(CN2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

COC(=O)c1c(CN2CCN(CC2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1

COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO

COC(=O)c1c(CN2CC[C@@H](C2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1 |r|

COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCC(O)CC2)c(=O)c2ccc(F)cc2n1-c1ccccc1

CNS(=O)(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1

CCNC(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3nc(C)ccc3c2=O)cc1

CCNC(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1

COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(C)nc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(C)nc2n1-c1ccccc1

COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(C)nc2n1-c1cccc(N)c1

CCn1c(=O)n(-c2ccccc2)c2ccccc2c1=O

O=c1n(Cc2ccccc2)c(=O)c2ccccc2n1-c1ccccc1

Clc1ccc2c(c1)n(-c1ccccc1)c(=O)n(Cc1ccccc1)c2=O

COC(=O)c1c(Cc2ccccc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

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

O=C(Nc1sc2N(CCCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12

CS(=O)(=O)c1ccc(CN2CCCc3c2sc(NC(=O)c2cccc4ccccc24)c3C#N)cc1

O=C(Cc1ccccc1)Nc1sc2CCCCc2c1C#N

c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F

Fc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C#N

O=C(Nc1sc2CN(CCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12

c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N

O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12

O=C(Nc1sc2N(CCCc2c1C#N)C(=O)c1ccn[nH]1)c1cccc2ccccc12

Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc12

CN(C)CC(=O)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N

Brc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N

O=C(Nc1sc2CCCCc2c1C#N)c1ccccc1

O=C(Nc1sc2N(Cc3cccnc3)CCCc2c1C#N)c1cccc2ccccc12

CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCCC(O)=O)n2)cc1

CC(CO)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

CC(C)[C@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O

COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|

COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|

CCOc1nc(NCCc2ccccc2)cc(N)c1C#N

CCOc1nc(Nc2ccccc2)cc(N)c1C#N

CCOc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N

CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N

COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccc(F)cc4)c23)c1

O=C(NCc1ccccc1)c1cccnc1Oc1ccccc1

COc1ccc(OC)c(CNc2[nH]nc3ccc(c(Oc4ccccc4)c23)[N+]([O-])=O)c1

CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(F)cc4)c23)cc1

COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccc(cc4)S(C)(=O)=O)c23)c1

Clc1cccc(CNc2[nH]nc3cccc(Oc4ccccc4)c23)c1

COc1ccc(OC)c(CNc2[nH]nc3ccnc(Oc4ccccc4)c23)c1

Fc1ccccc1Oc1ncccc1C(=O)NCc1ccccc1Cl

CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccccc4)c23)cc1

COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccccc4)c23)c1

Clc1ccccc1CNC(=O)c1ccccc1Oc1ccccc1

[O-][N+](=O)c1ccc2[nH]nc(NCc3ccccc3Cl)c2c1Oc1ccccc1

Clc1ccc(Cl)c(CNc2[nH]nc3cccc(Oc4ccccc4)c23)c1

COc1ccc(OC)c(CNC(=O)c2cccnc2Oc2ccccc2)c1

Clc1ccccc1CNC(=O)c1cccnc1Oc1ccccc1

Nc1ccc2[nH]nc(NCc3ccccc3Cl)c2c1Oc1ccccc1

C[C@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccccc1

CC(=O)Nc1ccc(CNc2[nH]nc3ccnc(Oc4ccccc4)c23)cc1

COc1ccc(Oc2ncccc2C(=O)NCc2ccccc2Cl)cc1

CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(cc4)S(C)(=O)=O)c23)cc1

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

CN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|

COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|

NCc1ccc(cc1)C(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1

CN(C)CC(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1

Clc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|

COc1cc(cc2c1nc([nH]c2=O)C(N)c1cccc(Cl)c1)-c1cn[nH]c1

NC(c1cccc(Cl)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1

COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1 |r|

COc1cc(cc2c1nc([nH]c2=O)[C@H](N)Cc1cccc(F)c1)-c1cn[nH]c1 |r|

N[C@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|

N[C@@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|

N[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|

O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|

COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1

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

Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1

Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cn1

Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3F)cn2)cn1

Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(F)c3)cn2)cn1

Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccc(F)cc3)cn2)cn1

Cc1ccc(NC(=O)c2ccc(F)c(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

Cc1ccc(NC(=O)c2cc(ccc2F)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

Cc1ccc(NC(=O)c2cccc(c2F)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

Cc1ncccc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1

Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c(C)n1

Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)ccn1

Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(C)n1

Cc1ncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

Cc1ccc(CNC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

Cn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

Cn1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1

Cn1nccc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1

Cc1nn(C)cc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1

Cn1cnc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1

CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

CN(C)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

CCN(CC)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(CCN2CCCC2)c1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNCC1

CCN(CC)CCNC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCCCN1CCCC1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NC1CNC1

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NC1CCNC1

c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5

O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1

COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12

COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12

O\N=C1\c2ccccc2-c2nc3ccccc3nc12

CN(C)c1ccc(cc1)-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1

Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-9.05,3.07,;-10.39,3.83,;-10.39,5.37,;-9.06,6.15,;-7.72,5.38,)|

Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.62,5.38,;-8.75,6.43,;-10.27,6.2,;-11.04,4.86,;-10.48,3.43,;-9.01,2.98,)|

COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F

Clc1ccccc1Nc1ccc2n(ncc2c1)-c1cc(ccn1)C(=O)NCCN1CCOCC1

Clc1ccccc1Nc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCCN1CCN(CC1)C1CCC1

COc1ccc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)cc1

NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)N1CCOCC1

NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCCC2=O)ncc1Cl

O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)C1CC1 |r,wU:4.7,wD:1.0,(-4,-7.39,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;4,-1.54,;5.46,-1.49,;4.68,-2.83,)|

CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|

O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)N1CCCC1 |r,wU:4.7,wD:1.0,(-4,-7.4,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;4,-1.54,;5.38,-.9,;6.41,-2.05,;5.64,-3.38,;4.14,-3.06,)|

CC(C)c1nc2nc(N[C@H]3CC[C@H](O)CC3)ncc2c(=O)[nH]1 |r,wU:9.8,wD:12.12,(5.06,-.92,;4,-1.54,;4,-2.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-4,-7.39,;-5.34,-5.4,;-5.34,-3.86,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;2.66,.77,)|

CC(C)n1c2nc(ncc2ccc1=O)N1CCC(CO)CC1

CC[C@H](C)[C@@H](CO)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|

CC(C)C[C@@H](Nc1ncc2ccc(=O)n(C(C)C)c2n1)C(O)=O |r|

CC(C)n1c2nc(NC3CCOCC3)ncc2ccc1=O

CC(C)n1c2nc(NC3CCNCC3)ncc2ccc1=O

CC(C)n1c2nc(N[C@H]3CC[C@H](N)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|

CC(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|

CCNC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|

CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C

CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)|

CC(C)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|

CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|

CC(C)C(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1

CCNC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1

CC(C)NC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1

CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)[nH]c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;,-.77,;-1.33,-1.54,)|

CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,)|

CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4

CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCOCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;,-.77,;-1.33,-1.54,)|

Cc1cc(C)c(NC(=O)c2cc([nH]n2)-c2ccccc2)c(C)c1

CC(=O)c1cccc(NC(=O)c2cc([nH]n2)-c2ccccc2)c1

O=C(NCc1ccccc1)c1cc([nH]n1)-c1ccccc1

Clc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1Cl

Fc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1

COc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1

COc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1OC

O=C(NCc1ccco1)c1cc([nH]n1)-c1ccccc1

COc1ccc(cc1)-c1cc(NC(=O)c2cc([nH]n2)-c2ccccc2)no1

Sc1nc2cc(NC(=O)c3cc([nH]n3)-c3ccccc3)ccc2[nH]1

O=C(Nc1nccs1)c1cc([nH]n1)-c1ccccc1

O=C(NC1CC1)c1cc([nH]n1)-c1ccccc1

O=C(Nc1ccccn1)c1cc([nH]n1)-c1ccccc1

O=C(Nc1ccccc1)c1cc([nH]n1)-c1ccccc1

Clc1ccc(Cl)c(NC(=O)c2cc([nH]n2)-c2ccccc2)c1

[O-][N+](=O)c1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1

COc1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1

Brc1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1

Fc1cc(NC(=O)c2cc([nH]n2)-c2ccccc2)ccc1Cl

c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5

CCOC(=O)N1CCC(CC1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1

CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C

Cn1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(NC3CCNCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(NC3CCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(Nc3ccc(cc3)N3CCC(O)CC3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(NCc3cccc(c3)C(F)(F)F)ncc2cc(Oc2ccc(F)cc2F)c1=O

CN1CCN(CCCNc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)CC1

Cn1c2nc(NC3CCCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(NC3CCCCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(NCCCNS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O

CN1CCN(CC1)c1ccc(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)cc1

Cn1c2nc(NCc3ccccn3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O

COc1nc2nc(NC3CC3)ncc2cc1Oc1ccc(F)cc1F

Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O

Cn1c2nc(NC3CCCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O

Cn1c2nc(Nc3ccc(cc3)N3CCC(O)CC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O

Cn1c2nc(NCCNS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O

CN1CCN(CC1)c1ccc(Nc2ncc3cc(Oc4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1

Cn1c2nc(NCCc3ccccn3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O

Cn1c2nc(NC3CC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O

Cn1c2nc(NCCN3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCC(O)CC1

Cn1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O

Cn1c2nc(ncc2cc(Oc2ccc(F)cc2F)c1=O)N1CCC(O)C1

Cn1c2nc(NCc3ccccn3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(NCCN3CCOCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O

Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCC(O)C1

Cn1c2nc(ncc2cc(Oc2ccc(F)cc2F)c1=O)N1CCCC(CO)C1

Cn1c2nc(NCCc3ccccn3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(ncc2cc(Oc2ccc(F)cc2F)c1=O)N1CCCC(O)C1

Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCCC(O)C1

Cn1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O

Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCCC(CO)C1