Compound Name

SMILES String

Fc1cccc(CCN2CCN(CC2)c2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCNCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1

Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1

Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1

[C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1

C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1

Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnn2)c1

Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1

Fc1cccc(CCNCCc2cncc(c2)-n2ccnc2)c1

Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN

Cc1cc(N)nc(COc2cccc(OCc3ccncc3)c2)c1

Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3

Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F

Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F

Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C

Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|

Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|

Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C

Cc1cc(N)nc(COCCOC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|

Cc1cc(N)nc(COCCOC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|

Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1 |r|

Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1 |r|

Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C

Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C

Cc1cc(N)nc(COC[C@H](CCN)OCc2cc(C)cc(N)n2)c1 |r|

Cc1cc(N)nc(COC[C@@H](CCN)OCc2cc(C)cc(N)n2)c1 |r|

Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C

C[C@@H](OCc1cc(C)cc(N)n1)[C@H](N)COCc1cc(C)cc(N)n1 |r|

Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N

C[C@H](OCc1cc(C)cc(N)n1)[C@H](N)COCc1cc(C)cc(N)n1 |r|

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F

CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N

CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N

Nc1ccc2ccc(COc3cccnc3)cc2n1

CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1

c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN

CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N

CN(C)CCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1

CN(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1

CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1

CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N

CNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1

CNCc1ccc(OCc2ccc3ccc(N)nc3c2)cc1

CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1F

CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N

CNC(C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1

CN[C@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1 |r|

CN[C@@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1 |r|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|

NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:10.9|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|

NCCN(O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|

NCCN(N)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N(O)[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@@H](O)CCCO |w:5.4|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@H](O)CCCO |w:5.4|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@@H](O)CCO |w:5.4|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@H](O)CCO |w:5.4|

NCCC[C@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:12.11|

NCCC[C@@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:12.11|

NCC[C@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|

NCC[C@@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|

NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:12.11|

Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC

CN(C)CCNc1cccc(CCc2cc(C)cc(N)n2)c1

CN(CCN)c1cccc(CCc2cc(C)cc(N)n2)c1

CN(CCCN)c1cccc(CCc2cc(C)cc(N)n2)c1

Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC

Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC

Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC

Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N

CCNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N

CC(C)NCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N

CN(CCNC1CC1)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N

CN(CCc1cccc(F)c1)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N

CN(C)CCNc1cc(F)cc(CCc2cc(C)cc(N)n2)c1

CCNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1

CN(CCNC1CC1)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1

CCN(CCNC)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3

Cc1cc(N)nc(CCc2cc(F)cc(NCc3cccc(Cl)c3)c2)c1

Cc1cc(N)nc(CCc2cc(F)cc(NCc3cccnc3)c2)c1

Cc1cc(N)nc(CCc2cc(F)cc(c2)N2CCNCC2)c1

Cc1cc(N)nc(CCc2cc(F)cc(NC3CCNCC3)c2)c1

Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N

Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N

Cc1cc(N)nc(CCc2cccc(c2)C(O)Cc2cc(C)cc(N)n2)c1 |w:15.16|

Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N

Cc1ccnc(CCc2cccc(c2)[C@H](N)Cc2cc(C)cc(N)n2)c1 |r|

Cc1cc(N)nc(CCc2cccc(c2)C(CN)Cc2cc(C)cc(N)n2)c1

Cc1cc(N)nc(CCc2cccc(n2)C(CN)Cc2cc(C)cc(N)n2)c1

Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1

Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C

Cc1cc(N)nc(CCc2cccc(CCc3cc(C)cc(N)n3)c2)c1

Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C

Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN

Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN

Nc1cccc(C[C@H]2CNC[C@H]2NCCCO)n1 |r|

NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r|

O=C(N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1)c1ccco1

Fc1cccc2c(CN(C(=O)c3ccco3)c3ccccc3)cc(=O)[nH]c12

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1Cl

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccc(Cl)cc1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(c1)C#N

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(C)c1

COc1cccc(c1)N(Cc1cc(=O)[nH]c2c(F)cccc12)C(=O)c1scnc1C

Cc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Cc1cnccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Fc1cccc2c(CN(C(=O)C3CCCC3)c3cccc(Cl)c3)cc(=O)[nH]c12

CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)c(F)ccc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(Cl)cccc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cc(F)ccc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccc(F)cc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cccc(F)c12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1c(F)c(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

Cc1ncsc1C(=O)N(Cc1cncc2c(F)c(F)ccc12)c1cccc(Cl)c1

c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N

c1cc(c2c(c1F)C(=N[C@@H](N2)CCNC(=O)c3ccoc3)N)F

c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N

c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N

CCN1c2cccc(F)c2C(N)=NC11CCN(CC1)C(=O)c1ccc(cc1)C#N |c:12|

Cc1ccnc(c1)N

CCCc1cc(cc(n1)N)C

Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N

CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C

CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl

CCOC(=O)N1CCC(CC1)Nc1cc(OC)ccn1

COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N

C[C@H]1CN=C(N)c2sccc2O1 |t:3|

CCC[C@@H]1COc2ccsc2C(N)=N1 |c:13|

NC1=N[C@H](COc2ccc3CCNCc3c2)COc2ccsc12 |t:1|

CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3

COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1

CNCCC(Oc1ccccc1C)c1ccccc1

CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1

Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C

Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C

Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C

CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|

CN(C)C(N)=NCCC[C@H](N)C(O)=O |r,w:5.5|

CSC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|

N[C@@H](CCCNC(N)=O)C(O)=O

CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3|

[H]/N=C(/CC)NCCC[C@@H](C(=O)O)N

CCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:6.6|

CCCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7|

CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:14.15|

CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18|

CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4|

CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4|

CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18|

CN1CCC(=CC1)c1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:15.15,c:4|

NC(=Nc1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1 |w:2.2|

CN(C)CCCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.16|

CN(C)CCc1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:13.12|

CCN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19|

CN1CCC(=CC1)c1c[nH]c2ccc(NC(=S)NC(=O)c3ccccc3)cc12 |c:4|

CCSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:5.5,t:13|

NC(=Nc1ccc2[nH]cc(C3CCN(CC3)C(=O)c3ccccc3)c2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2[nH]cc(-c3ccncc3)c2c1)c1cccs1 |w:2.2|

CSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:4.4,t:12|

NC(=Nc1ccc2[nH]cc(C3CCN(CC3)C(=N)c3cccs3)c2c1)c1cccs1 |w:2.2|

CNC1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19,(6.85,4.57,;5.37,4.17,;4.97,2.68,;6.06,1.59,;5.66,.1,;4.17,-.29,;3.08,.8,;3.48,2.28,;3.77,-1.78,;4.68,-3.03,;3.77,-4.27,;2.31,-3.8,;.97,-4.57,;-.36,-3.8,;-.36,-2.26,;.97,-1.49,;2.31,-2.26,;-1.69,-1.49,;-3.03,-2.26,;-3.03,-3.8,;-4.36,-1.49,;-4.84,-.02,;-6.38,-.02,;-6.85,-1.49,;-5.61,-2.39,)|

NC(=Nc1ccc2[nH]cc(C3CCNCC3)c2c1)c1cccs1 |w:2.2|

CN1C2CCC1C=C(C2)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.21,c:7,TLB:0:1:3.4:7.8.6|

CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18|

CNC1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19,c:5|

CN1CCC[C@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18|

CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |r,w:16.18|

CN1CCCC1Cc1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18|

CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.17|

CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:15.17|

CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,c:6|

CN(C)C1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,(4.28,4.91,;5.37,3.82,;6.85,4.22,;4.97,2.34,;6.06,1.25,;5.66,-.24,;4.17,-.64,;3.08,.45,;3.48,1.94,;3.77,-2.13,;4.68,-3.37,;3.77,-4.62,;2.31,-4.14,;.97,-4.91,;-.36,-4.14,;-.36,-2.6,;.97,-1.83,;2.31,-2.6,;-1.69,-1.83,;-3.03,-2.6,;-3.03,-4.14,;-4.36,-1.83,;-4.84,-.37,;-6.38,-.37,;-6.85,-1.83,;-5.61,-2.74,)|

CCNC1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,(8.01,4.73,;7.24,3.39,;5.7,3.39,;4.93,2.06,;5.7,.73,;4.93,-.61,;3.39,-.61,;2.62,.73,;3.39,2.06,;2.62,-1.94,;3.52,-3.19,;2.62,-4.43,;1.15,-3.96,;-.18,-4.73,;-1.51,-3.96,;-1.51,-2.42,;-.18,-1.65,;1.15,-2.42,;-2.85,-1.65,;-4.18,-2.42,;-4.18,-3.96,;-5.52,-1.65,;-5.99,-.18,;-7.53,-.18,;-8.01,-1.65,;-6.76,-2.55,)|

NC(=Nc1ccc2[nH]cc(C3=CN4CCC3CC4)c2c1)c1cccs1 |w:2.2,t:10,THB:9:10:13.14:17.16,(-3.88,-2.81,;-3.88,-1.27,;-2.55,-.5,;-1.21,-1.27,;-1.21,-2.81,;.12,-3.58,;1.45,-2.81,;2.92,-3.28,;3.82,-2.04,;2.92,-.79,;3.69,.54,;4.78,1.65,;6.55,1.92,;6.99,3.58,;5.86,2.7,;5.34,.76,;6.47,-.16,;7.58,.9,;1.45,-1.27,;.12,-.5,;-5.21,-.5,;-5.21,1.04,;-6.68,1.52,;-7.58,.27,;-6.68,-.97,)|

NC(=Nc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1cccs1 |w:2.2,THB:9:10:13.14:17.16,(-3.88,-2.81,;-3.88,-1.27,;-2.55,-.5,;-1.21,-1.27,;-1.21,-2.81,;.12,-3.58,;1.45,-2.81,;2.92,-3.28,;3.82,-2.04,;2.92,-.79,;3.69,.54,;4.78,1.65,;6.55,1.92,;6.99,3.58,;5.86,2.7,;5.34,.76,;6.47,-.16,;7.58,.9,;1.45,-1.27,;.12,-.5,;-5.21,-.5,;-5.21,1.04,;-6.68,1.52,;-7.58,.27,;-6.68,-.97,)|

NC(=Nc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1 |w:2.2,THB:9:10:13.14:17.16,(-3.88,-2.81,;-3.88,-1.27,;-2.55,-.5,;-1.21,-1.27,;-1.21,-2.81,;.12,-3.58,;1.45,-2.81,;2.92,-3.28,;3.82,-2.04,;2.92,-.79,;3.69,.54,;4.78,1.65,;6.55,1.92,;6.99,3.58,;5.86,2.7,;5.34,.76,;6.47,-.16,;7.58,.9,;1.45,-1.27,;.12,-.5,;-5.21,-.5,;-5.21,1.04,;-6.68,1.52,;-7.58,.27,;-6.68,-.97,)|

CN1CC=C(C(F)C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19,c:3|

CN1CC[C@H]([C@H](F)C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|

CN(C)CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|

NC(=Nc1ccc2ccn(CCc3ccccc3)c2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1 |w:2.2|

CN1CCCC1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19,6.6|

CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|

CN1CCC[C@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|

CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|

NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1 |w:2.2|

CCN(CC)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.18|

NC(=Nc1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1 |w:2.2|

CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|

CNCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|

CN1CCCC1CCn1c(Cc2ccccc2)cc2ccc(cc12)N=C(N)c1cccs1 |w:24.27|

NC(=Nc1ccc2ccn(CCCCn3ccnc3)c2c1)c1cccs1 |w:2.2|

CN(C)CCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:16.17|

NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1 |w:2.2|

NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1 |w:2.2|

NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccoc1 |w:2.2|

CN1CCCC1CCN1C(=O)COc2cc(ccc12)N=C(N)c1cccs1 |w:19.21|

CN1CCCC1CCN1CCOc2cc(ccc12)N=C(N)c1cccs1 |w:18.20|

NC(=Nc1ccc2N(CCN3CCCC3)C(=O)COc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2N(CCN3CCCC3)CCOc2c1)c1cccs1 |w:2.2|

CN(C)CCN1C(=O)COc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|

CN(C)CCN1CCOc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|

CCNCCN1CCOc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|

CNCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:14.15|

CN(C)CCN1CCOc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|

CNCCN1CCOc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|

NC(=Nc1ccc2N(CCN3CCCC3)CCSc2c1)c1cccs1 |w:2.2|

CN(C)CCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|

CN1CCCC1CCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:18.20|

NC(=Nc1ccc2N(CCN3CCCCC3)CCSc2c1)c1cccs1 |w:2.2|

CCN(CC)CCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:17.18|

NC(=Nc1ccc2N(CCNCCO)CCSc2c1)c1cccs1 |w:2.2|

CN(CCN1CCSc2cc(ccc12)N=C(N)c1cccs1)CC(O)=O |w:14.15|

NC(=Nc1ccc2N(CCN3CCC[C@H]3C(O)=O)CCSc2c1)c1cccs1 |r,w:2.2|

CN(C)CCN1CCSc2cc(ccc12)N=C(N)c1ccco1 |w:15.16|

CNCCN1CCSc2cc(ccc12)N=C(N)c1ccco1 |w:14.15|

NC(=Nc1ccc2N(CCCN3CCCC3)CCSc2c1)c1cccs1 |w:2.2|

CN(C)CCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|

CNCCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|

CCNCCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|

NC(=Nc1ccc2SCCN(CCN3CCCC3)c2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2SCCN(CCNCCO)c2c1)c1cccs1 |w:2.2|

CN(C)CCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|

CNCCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|

NC(=Nc1ccc2SCCN(C3CCNCC3)c2c1)c1cccs1 |w:2.2|

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3

Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C

Cc1cc(N)nc(COC[C@H]2C[C@H](COc3cc(C)cc(N)n3)CN2)c1 |r|

Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1 |w:15.16|

Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F

Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC

Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O

Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3

Cc1cc(C[C@H]2CN(C[C@H]2OCC=C)C(=O)OC(C)(C)C)nc(c1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Cc1cc(C[C@H]2CN(C[C@H]2OCC=O)C(=O)OC(C)(C)C)nc(c1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

CNc1cc(N)nc(NC)c1

NC(=N)NCCC[C@H](N[N+]([O-])=O)C(O)=O

c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N

Nc1cccc(C[C@H]2CN(Cc3ccccc3)C[C@H]2NCCCc2ccccc2)n1

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(c2)C(F)(F)F)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccccc2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCN)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccccc2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r|

Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C

Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C

Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC

Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F

[H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F

c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N

c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N

c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N

c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N

Nc1ccc2cc(CNCCc3cccc(F)c3)ccc2n1

Nc1ccc2cc(CCNCc3cccc(F)c3)ccc2n1

Nc1ccc2cc(CCNCCc3cccc(F)c3)ccc2n1

CCC(NC(C)c1ccc2nc(N)ccc2c1)c1cccc(F)c1

Nc1ccc2ccc(CCNCCc3ccc(F)cc3)cc2n1

c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N

Nc1ccc2ccc(CCNCCc3ccc(Cl)cc3)cc2n1

[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl

N=C(Nc1cccc(c1)-c1cccc(NC(=N)c2cccs2)c1)c1cccs1

N=C(Nc1cccc(\C=C/c2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1

[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4

OC(COc1cccc(NC(=N)c2cccs2)c1)c1cccc(NC(=N)c2cccs2)c1

[H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4

N=C(Nc1cccc(OCCCOc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1

[H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N\[H])/c4cccs4

N=C(Nc1ccc(CNCCc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1

N=C(Nc1cccc(COC2CCNC2)c1)c1cccs1

N=C(Nc1cccc(CCNC2CCNC2)c1)c1cccs1

CN(C)c1cccc2c(cccc12)S(=O)(=O)NCc1cccc(NC(=N)c2cccs2)c1

CN(C)c1cccc2c(cccc12)S(=O)(=O)NCc1ccc(NC(=N)c2cccs2)cc1

[H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F

NC[C@H](COCc1cccc(NC(=N)c2cccs2)c1)OCc1cccc(NC(=N)c2cccs2)c1 |r|

NC[C@@H](COCc1cccc(NC(=N)c2cccs2)c1)OCc1cccc(NC(=N)c2cccs2)c1 |r|

N=C(Nc1cccc(COC[C@@H]2NCC[C@@H]2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|

N=C(Nc1cccc(COC[C@H]2NCC[C@@H]2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|

N=C(Nc1cccc(COCC2NCCC2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1

[H]/N=C(/c1cccs1)\Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N\[H])/c5cccs5

Fc1cccc(COC[C@H]2NCC[C@@H]2COc2cccc(NC(=N)c3cccs3)c2)c1 |r|

N=C(Nc1cccc(OC[C@H]2NCC[C@@H]2Oc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|

Fc1cccc(CO[C@@H]2CCN[C@H]2COc2cccc(NC(=N)c3cccs3)c2)c1 |r|

N=C(Nc1ccc(OC[C@H]2NCC[C@@H]2Oc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1 |r|

Cc1cc(N)nc(CCc2cccc(c2)C(O)Cc2cc(C)cc(N)n2)c1

Cc1cc(N)nc(CCc2cccnc2)c1

CN(C)c1cncc(CCc2cc(C)cc(N)n2)c1

Cc1cc(N)nc(CCc2cncc(c2)N2CCCCC2)c1

Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3

Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC

Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC

CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F

Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C

Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C

CNc1cccc(c1)-c1cncc(CCc2cc(C)cc(N)n2)c1

Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC

CNCc1ccc(cc1)-c1cncc(CCc2cc(C)cc(N)n2)c1

CNCc1ccc(cc1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC

CN(C)CCCc1cccc(CCc2cc(C)cc(N)n2)c1

CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N

CNCc1cccc(c1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1

Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC

CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N

CN(C)c1cccc(CCNCc2ccc3ccc(N)nc3c2)c1

CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N

CN(C)c1ccc(NCc2ccc3ccc(N)nc3c2)cc1

CN(C)c1cccc(NCc2ccc3ccc(N)nc3c2)c1

c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N

Nc1ccc2ccc(CNc3cccc(c3)C#N)cc2n1

Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C

Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N

Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N

c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N

c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F

COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N

Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N

c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N

CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N

COc1cccc(NCc2ccc3ccc(N)nc3c2)c1

Nc1ccc2ccc(CNCCc3cccc(c3)C#N)cc2n1

c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N

CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N

CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC

Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N

CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)ccc1Cl

CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1

Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N

CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(C#N)c1F

CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N

CNCc1cc(Cl)cc(OCc2ccc3ccc(N)nc3c2)c1

CNCc1cc(Br)cc(OCc2ccc3ccc(N)nc3c2)c1

CNCc1cc(OC)cc(OCc2ccc3ccc(N)nc3c2)c1

Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N

Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N

Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N

Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N

Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N

Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N

CNCc1cc(CCc2ccc3ccc(N)nc3c2)cc(c1)C#N

CC(=N)NCc1cccc(CNC(=O)[C@@H]2CCCN2)c1

CC(N)=NCc1cccc(CN)c1 |w:3.3|

COc1cc(N)c(C2=NN(CC2)C(=O)CCc2ccccc2)c(OC)c1OC |t:7|

COc1cc(N)c(C2=NN(CC2)C(=O)c2ccccc2)c(OC)c1OC |t:7|

COc1cc(N)c(cc1OC)C1=NN(CC1)C(=O)CCc1ccccc1 |t:12|

CNC(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1

CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N

CCCC1CCN=C(N)C1 |t:6|

NC1=Nc2ccccc2CC1 |t:1|

CCCC1CCCC(N)=N1 |c:8|

NC1=NC(CC2CCCCC2)CCC1 |t:1|

NC1=NC(CCC1)C(F)(F)F |t:1|

NC1=NCCCC1 |t:1|

CCC1CCN=C(N)C1 |t:5|

CC1CCN=C(N)C1 |t:4|

NC1=NCCC(C1)C(F)(F)F |t:1|

CC1CCC(N)=NC1 |c:5|

NC1=NC(Cc2ccccc2)CCC1 |t:1|

CC1CC(C)N=C(N)C1 |t:5|

CN1CCCCC1=N

CNC1=NCCCC1 |t:2|

CC1(C)CCN=C(N)C1 |t:5|

CC1CCCN=C1N |c:5|

CC1CCCC(N)=N1 |c:6|

NC1=NC(CCC1)C1CCCCC1 |t:1|

CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|

CC(=N)NCCCC[C@H](N)[C@@H](O)CO

N[C@@H](CCCNc1c(Cl)cccc1[N+]([O-])=O)C(O)=O

Cc1ccc(c(SCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O

Cc1ccc(c(NCC[C@H](N)C(O)=O)c1)[N+]([O-])=O

Cc1ccc(c(NCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O

N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

Cc1ccc(c(N)c1)[N+]([O-])=O

COc1ccc(c(NCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O

CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|

Cc1ccc(c(NCCC[C@H](N)CO)c1)[N+]([O-])=O

Cc1ccc(c(NCCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O

N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(O)=O

Cc1ccc(c(NCCCCN)c1)[N+]([O-])=O

N[C@@H](CCCNc1cc(O)ccc1[N+]([O-])=O)C(O)=O

Cc1ccc(NCCC[C@H](N)C(O)=O)c(c1)[N+]([O-])=O

Cc1cccc(NCCC[C@H](N)C(O)=O)c1

Cc1ccc(c(OCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O

N[C@@H](CCCNc1c(cccc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

Cc1cccc(SCCC[C@H](N)C(O)=O)c1

N[C@@H](CCCNc1ccc(F)cc1[N+]([O-])=O)C(O)=O

N[C@@H](CCCNc1ccccc1[N+]([O-])=O)C(O)=O

N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O)C(O)=O

Cc1ccc(c(NCCC[C@@H](N)C(O)=O)c1)[N+]([O-])=O

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCC2CC2)c(CN)c1

Cc1cc(N)nc2cc(ccc12)-c1ccccc1CN

Cc1cc(N)nc2cc(ccc12)-c1ccc(Cl)c(CN)c1

CCCOc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cscn2)c(CN)c1

Cc1cc(N)nc2cc(ccc12)-c1cccc(CN)c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(CCN)cc1

CNCc1ccc(cc1)-c1ccc2c(C)cc(N)nc2c1

C[C@H](N)Cc1ccc(cc1)-c1ccc2c(C)cc(N)nc2c1

Cc1cc(N)nc2cc(ccc12)-c1cccc(CCN)c1

Cc1cc(N)nc2cc(ccc12)-c1cc(CN)cc(c1)C#N

Cc1cc(N)nc2cc(ccc12)-c1ccc2CCC(N)c2c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(F)c(CN)c1

CCc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1

CCOc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1

CC(C)COc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCC2CCC2)c(CN)c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cccnc2)c(CN)c1

Cc1cc(COc2ccc(cc2CN)-c2ccc3c(C)cc(N)nc3c2)no1

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cncs2)c(CN)c1

CC(C)Oc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2ccc(cc2)C#N)c(CN)c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2ccccn2)c(CN)c1

CNCCc1ccc(cc1)-c1ccc2c(C)cc(N)nc2c1

Cc1cc(N)nc2cc(ccc12)-c1ccccc1CCN

Cc1cc(N)nc2cc(ccc12)-c1cccc2CNCc12

Cc1cc(N)nc2cc(ccc12)-c1ccc(c(CN)c1)C(F)(F)F

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cocn2)c(CN)c1

Cc1cc(N)nc2cc(ccc12)-c1cncc(CN)c1

COc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1

Cc1cc(N)nc2cc(ccc12)-c1ccc2C(N)CCc2c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cccc(F)c2)c(CN)c1

Cc1cc(N)nc2cc(ccc12)-c1ccc(CN)cc1

[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6][#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8]

[#7]-[#6@@H](-[#6]-[#6]-[#6][#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8]

CSC(NCCC[C@H](N)C(O)=O)=NN |w:12.12|

NNC(=S)NCCC[C@H](N)C(O)=O

CSC(NO)=NCCC[C@H](N)C(O)=O |w:5.5|

[O-][N+](=O)c1cccc2cn[nH]c12

Nc1cccc(n1)-c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1

Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1

Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1

CC(C)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1

CC(C)NC(=O)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1

Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)C(=O)Cc2ccccc2)cc1

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3

CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C

Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C

Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C

Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C

Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C

CN(C)CC#Cc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1

N[C@H](CCCNC(=N)NCc1ncc[nH]1)C(O)=O

N[C@H](CCCNC(=N)NCCc1ncc[nH]1)C(O)=O

Cc1cc(N)nc2CCCCc12

Nc1ccc2CCCc2n1

Cc1ccc(N)nc1C

CCc1cnc(N)cc1C

CC(C)c1cc(C)cc(N)n1

CC(C)Cc1cc(C)cc(N)n1

Nc1cc2CCCCc2cn1

C(=N)(N)NN

c1ccc2c(c1)ccnc2N

Cc1cc(N)nc(CCCc2ccccc2)c1

Cc1cnc(N)cc1C

Cc1cccnc1N

Nc1nccc2CCCCc12

Cc1cnc(N)c(C)c1

c1ccnc(c1)N

CC(C)CCc1cc(C)cc(N)n1

N[C@@H](CCCNC(N)=S)C(O)=O

NC1=NC(Cc2ccccc12)c1ccc(F)cc1 |t:1|

NC1=NC(Cc2ccccc12)C#C |t:1|

NC1=NC(Cc2ccccc12)c1cccs1 |t:1|

NC1=NC(Cc2cccc(Cl)c12)c1ccc(F)cc1 |t:1|

COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |r,w:12.12|

NC1=NC(Cc2cccc(F)c12)c1ccc(F)cc1 |t:1|

c1ccc2c(c1)CCN=C2N

NC1=NC(Cc2c(F)cccc12)c1ccc(F)cc1 |t:1|

CC1(C)Cc2ccccc2C(N)=N1 |c:12|

CC1Cc2ccccc2C(N)=N1 |c:11|

NC1=NC(Cc2ccccc12)c1ccco1 |t:1|

NC1=NC(Cc2cc(F)ccc12)c1ccc(F)cc1 |t:1|

NC1=NC(Cc2ccc(F)cc12)c1ccc(F)cc1 |t:1|

NC1=NC(Cc2ccccc12)c1ccc(Cl)cc1 |t:1|

NC1=NC(Cc2ccccc12)c1cccc(F)c1 |t:1|

NC1=NC(Cc2cccc(F)c12)c1ccccc1 |t:1|

NC1=NCCCc2ccccc12 |t:1|

NC1=NC(Cc2ccccc12)C1CC1 |t:1|

NC1=NC(Cc2ccccc12)c1ccccc1 |t:1|

NC1=NC(Cc2ccccc12)c1ccccc1F |t:1|

NC1=NC(Cc2ccccc12)c1nccs1 |t:1|

NC1=NCCc2sccc12 |t:1|

NC1=NC(Cc2ccsc12)c1cccs1 |t:1|

CC#CC1Cc2ccsc2C(N)=N1 |c:12|

NC1=NC(Cc2sccc12)c1ccccc1 |t:1|

NC1=NC(Cc2ccsc12)c1cccnc1 |t:1|

NC1=NC(Cc2ccsc12)c1ccco1 |t:1|

Cc1cc2CC(N=C(N)c2s1)C#C |t:6|

NC1=NC(Cc2ccsc12)C#C |t:1|

NC1=NC(Cc2sccc12)C#C |t:1|

NC1=NCCc2ccsc12 |t:1|

NC1=NC(Cc2ccsc12)c1ccccc1 |t:1|

CC(C)(C)C#CC1Cc2ccsc2C(N)=N1 |c:15|

NC1=NC(Cc2ccsc12)C#Cc1ccccc1 |t:1|

NC1=NC(Cc2ccsc12)C1CC1 |t:1|

NC1=NC(Cc2sccc12)C1CC1 |t:1|

CCOc1cccc2c[nH]nc12

Oc1cccc2cn[nH]c12

Brc1ccc2[nH]ncc2c1

COc1cccc2c[nH]nc12

Cc1ccc2c[nH]nc2c1

FC(F)(F)c1ccccc1-n1ccnc1

Clc1ccc2cn[nH]c2c1

COc1ccc2c(c1)cn[nH]2

COc1cccc2[nH]ncc12

Fc1ccc2[nH]ncc2c1

CC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1

[O-][N+](=O)CCC1CCCCC(=[NH2+])[N-]1

CCCCC1CCCCC(N)=N1 |c:10|

NCCC1COCCC(N)=N1 |c:9|

CN1CCN=C(N)CC1 |t:4|

NC1=NCCSCC1 |t:1|

C\C=C\CC1CCCCC(N)=N1 |c:10|

NC1=NCCCCC1 |t:1|

C\C=C\CC1COCCC(N)=N1 |c:10|

NC1=NCCCCCC1 |w:2.2|

NCCC1CCCCC(N)=N1 |c:9|

NC1=NCCCSCC1 |w:2.2|

CCCCC1COCCC(N)=N1 |c:10|

NC1=NCCOCC1 |t:1|

[O-][N+](=O)CCC1COCCC(=[NH2+])[N-]1

COc1ccc(N)c(c1)C(=O)CC(NC(C)=O)C(O)=O

CCCC(=O)NC(CC(=O)c1cc(OC)ccc1N)C(O)=O

NC(=Nc1ccc(CCNC(=O)CC2CCSS2)cc1)c1cccs1 |w:2.2|

NC(=Nc1ccc(NC(=O)CC2CCSS2)cc1)c1cccs1 |w:2.2|

NC(=Nc1ccc(CNC(=O)CCCCC2CCSS2)cc1)c1cccs1 |w:2.2|

NC(=Nc1ccc(NC(=O)CCCCC2CCSS2)cc1)c1cccs1 |w:2.2|

NC(=Nc1ccccc1)c1cccs1 |w:2.2|

NC(=Nc1ccc(CCNC(=O)CCCCC2CCSS2)cc1)c1cccs1 |w:2.2|

Nc1nc(N)c2NC(COC(=O)CCc3ccc(cc3)C(=O)c3ccccc3)CNc2n1

COc1ccc(cc1)-c1cnc2nc(N)nc(N3CCCCC3)c2n1

Nc1nc(N)c2N(CCNc2n1)C=O

Nc1nc2ncc(COC(=O)c3ccc(cc3)N=[N+]=[N-])nc2c(=O)[nH]1

CC(C)C(=O)Nc1nc(NC(=O)C(C)C)c2nc(-c3ccccc3)c(nc2n1)-c1ccccc1

CC1=NC2=C(NC1)N=C(NC2=O)N

Nc1nc2ncc(COC(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)nc2c(=O)[nH]1

Nc1nc2ncc(nc2c(=O)[nH]1)C#Cc1ccccc1

CC(C)C(=O)Nc1nc(N)nc2nc(-c3ccccc3)c(nc12)-c1ccccc1

Nc1nc(NCC2CCCCC2)c2NC(CNc2n1)c1ccc(Cl)cc1

CC(C)C(=O)Nc1nc2NCCN(C(=O)CCc3ccc(cc3)C(=O)c3ccccc3)c2c(=O)[nH]1

CS(=O)(=O)CC1CNc2nc(N)[nH]c(=O)c2N1

CC(C)C(=O)Nc1nc2NC(C(N(C(=O)c3ccc[n+](Cc4ccccc4)c3)c2c(=O)[nH]1)c1ccccc1)c1ccccc1

CCCCCOc1nc(N)nc2ncc(SCC(=O)c3ccccc3)nc12

Nc1nc2NCCN(C(=O)c3ccccc3)c2c(=O)[nH]1

Nc1nc2ncc(COc3ccccc3)nc2c(=O)[nH]1

Nc1nc2NCC(Nc2c(=O)[nH]1)c1ccccc1

CC(NC(=O)OCc1ccccc1)C(=O)OCc1cnc2nc(N)[nH]c(=O)c2n1

COc1ccc(cc1)C1CNc2nc(N)nc(N3CCCCC3)c2N1

Nc1nc2ncc(nc2c(=O)[nH]1)-c1ccc2ccccc2c1

CNc1nc(N)c2NC(C(Nc2n1)c1ccccc1)c1ccccc1

Nc1nc(O)c2nc(COC(=O)c3ccc(cc3)C3(N=N3)C(F)(F)F)cnc2n1 |c:20|

c1c(nc2c(n1)N=C(NC2=O)N)CO

Nc1nc(N)c2NCC(Nc2n1)c1ccccc1

Nc1nc2NCC(COC(=O)c3ccccc3)N(C(=O)c3ccccc3)c2c(=O)[nH]1

CCCN(CCC)c1nc(N)nc2ncc(nc12)-c1ccc(OC)c(OC)c1

Nc1nc2ncc(nc2c(=O)[nH]1)-c1ccc(cc1)N=[N+]=[N-]

CC(C)C(=O)Nc1nc2ncc(nc2c(=O)[nH]1)-c1ccc(cc1)N=[N+]=[N-]

COc1ccc(cc1)-c1cnc2nc(N)nc(N(C)C)c2n1

CSCc1cnc2nc(N)[nH]c(=O)c2n1

CCCCCCCCCCOCc1cnc2nc(N)nc(N)c2n1

COc1ccc(cc1OC)-c1cnc2nc(N)nc(N3CCCCC3)c2n1

CNCC1CNc2nc(N)[nH]c(=O)c2N1

Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccccc1

CN(C)CC1CNc2nc(N)[nH]c(=O)c2N1

Nc1nc(N2CCOCC2)c2nc(cnc2n1)-c1ccccc1

C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N

Nc1nc(O)c2NC(COC(=O)c3ccc(cc3)C3(N=N3)C(F)(F)F)CNc2n1 |c:20|

CN(C)c1nc(N)nc2ncc(nc12)-c1ccc(C)cc1

Nc1nc2NC(C(=Nc2c(=O)[nH]1)c1ccccc1)c1ccccc1 |c:6|

NCC1CNc2nc(N)[nH]c(=O)c2N1

c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2

Nc1nc2ncc(nc2c(=O)[nH]1)-c1ccc(F)cc1

CCN(CC)c1nc(N)nc2NCC(Nc12)c1ccc(Cl)cc1

Nc1nc(N2CCCCC2)c2nc(cnc2n1)-c1ccccc1

Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1

COc1ccc(cc1)-c1cnc2nc(N)nc(N3CCOCC3)c2n1

Nc1nc2ncc(nc2c(=O)[nH]1)-c1ccccc1

COc1ccc(cc1OC)-c1cnc2nc(N)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1

Nc1nc(N)c2nc(COC(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)cnc2n1

Nc1nc2NCCN(C(=S)Nc3ccccc3)c2c(=O)[nH]1

CCCCCOc1nc(N)nc2ncc(nc12)C#Cc1ccccc1

Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(cnc2n1)-c1ccccc1

Nc1nc(N)c2nc(COC(=O)c3ccc(cc3)C3(N=N3)C(F)(F)F)cnc2n1 |c:20|

CCCN(CCC)c1nc(N)nc2NCC(Nc12)c1ccc(OC)cc1

Nc1nc2NCC(COC(=O)c3ccc(cc3)N=[N+]=[N-])N(C(=O)c3ccc(cc3)N=[N+]=[N-])c2c(=O)[nH]1

CCOCC1CNc2nc(N)nc(N)c2N1

Nc1nc2ncc(COC(=O)CCc3ccc(cc3)C(=O)c3ccccc3)nc2c(=O)[nH]1

CCCCCCCCCCOCC1CNc2nc(N)[nH]c(=O)c2N1

CCCCCOc1nc(N)nc2ncc(nc12)C(\Br)=C(/Br)c1ccccc1

C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O

CNc1nc2NCCNc2c(=O)[nH]1

CCN(CC)c1nc(N)nc2ncc(nc12)-c1ccc(OC)cc1

Nc1nc2ncc(nc2c(=O)[nH]1)-c1cccs1

COc1ccc(cc1)-c1cnc2nc(N)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1

C1C[C@H]2CNc3ccccc3[C@H]2C1

Cc1ccc2N=C(N)[C@@H]3CCC[C@@H]3c2c1 |t:5|

NC1=Nc2cc(ccc2[C@H]2CCC[C@@H]12)[N+]([O-])=O |t:1|

Cc1ccc2[C@H]3CCC[C@H]3C(N)=Nc2c1 |c:12|

COc1ccc2[C@H]3CCC[C@H]3C(N)=Nc2c1 |c:13|

NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|

NC1=Nc2ccccc2[C@H]2CCCCC[C@@H]12 |t:1|

CNC1=Nc2ccccc2[C@H]2CCC[C@@H]12 |t:2|

NC1=Nc2ccc(cc2[C@H]2CCC[C@@H]12)[N+]([O-])=O |t:1|

NC1=Nc2ccc(Br)cc2[C@H]2CCC[C@@H]12 |t:1|

NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|

NC1=Nc2ccc(cc2[C@H]2CCC[C@@H]12)C#N |t:1|

NC1=Nc2cc(F)ccc2[C@H]2CCC[C@@H]12 |t:1|

NC1=Nc2ccc(cc2[C@H]2CCC[C@@H]12)C(F)(F)F |t:1|

NC1=Nc2ccccc2N2CCCC12 |t:1|

NC1=Nc2ccccc2[C@H]2CCCC[C@@H]12 |t:1|

NC1=Nc2ccc(F)cc2[C@H]2CCC[C@@H]12 |t:1|

ONC1=Nc2ccccc2[C@H]2CCC[C@@H]12 |t:2|

NC1=Nc2c(F)cccc2[C@H]2CCC[C@@H]12 |t:1|

NC1=Nc2c(Cl)cc(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|

NC1=Nc2c(F)c(F)ccc2[C@H]2CCC[C@@H]12 |t:1|

NC1=Nc2ccccc2[C@H]2CCC[C@@H]12 |t:1|

COc1ccc2N=C(N)[C@@H]3CCC[C@@H]3c2c1 |t:6|

[H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N

NC1=Nc2ccccc2[C@H]2COC[C@@H]12 |t:1|

NC1=Nc2c(F)c(F)c(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|

CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C

CCCCC[C@H]1N=C(N)[C@H](O)[C@H]1C |t:6|

CCCCC[C@@H]1N=C(N)[C@@H](O)[C@@H]1C |t:6|

CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C

CCCCC[C@@H]1N=C(N)[C@H](O)[C@@H]1C |t:6|

COc1ccc(N)c(c1)C(O)CCNC(=N)c1ccccc1

COc1ccc(N)c(c1)C(O)CCNC(=N)c1ccc(cc1)C(F)(F)F

CC(=N)NCCC(=O)c1ccccc1N

CC(=N)NCCC(=O)c1cc(Cl)ccc1N

COc1ccc(N)c(c1)C(=O)CCNC(C)=N

COc1ccc(N)c(c1)C(=O)CCNC(=N)c1ccccc1

CCNC(=O)NCCC(=O)c1cc(Cl)ccc1N

CNC(=S)NCCC(O)c1cc(OC)ccc1N

CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|

CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N

COc1ccc2nc3CC4CC(CC(C)=C4)c3c(N)c2c1

CC[C@H]1OC(N)=N[C@H]1C |c:5|

CCC1COC(N)=N1 |c:6|

NC1=NCCO1 |t:1|

CCC[C@@H]1N=C(N)O[C@@H]1C |t:4|

CCC[C@@H]1N=C(N)O[C@H]1C |t:4|

CC[C@@H]1N=C(N)O[C@@H]1C |t:3|

CCC1CN=C(N)O1 |t:4|

CC[C@@H]1OC(N)=N[C@H]1CC |c:5|

CC[C@@H]1OC(N)=N[C@H]1C |c:5|

CCCCC[C@@H]1N=C(N)O[C@@H]1C |t:6|

NC1=NCC(CBr)O1 |t:1|

CCC[C@H]1OC(N)=N[C@H]1CCC |c:6|

CC[C@@H]1N=C(N)O[C@H]1C |t:3|

CCCCC[C@@H]1N=C(N)O[C@H]1C |t:6|

CC1CN=C(N)O1 |t:3|

C[C@H]1OC(N)=N[C@H]1C |c:4|

CCC[C@@H]1OC(N)=N[C@H]1CCC |c:6|

C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |c:4|

CC[C@H]1OC(N)=N[C@H]1CC |c:5|

CC1COC(N)=N1 |c:5|

NC1=Nc2ccccc2[C@H]2CCC[C@@]12F |t:1|

NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@]12F |t:1|

NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 |t:1|

CNCCc1ccc2[C@H]3CCC[C@@]3(F)C(N)=Nc2c1 |c:16|

NC1=Nc2c(F)cccc2[C@H]2CCC[C@@]12F |t:1|

CNCc1ccc2[C@H]3CCC[C@@]3(F)C(N)=Nc2c1 |c:15|

NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@]12F |t:1|

CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3ccccc23)CC1

CN1CCN(CCOc2ccc(c3CCCc23)-c2cccc(N)n2)CC1

Nc1cccc(n1)-c1ccc(OCC2CC3CCN2CC3)c2ccccc12 |(11.24,-2.54,;9.89,-1.75,;9.89,-.21,;8.56,.56,;7.23,-.21,;7.23,-1.75,;8.56,-2.52,;5.89,-2.52,;4.57,-1.75,;3.24,-2.52,;3.24,-4.06,;1.89,-4.85,;.57,-4.08,;-.76,-4.86,;-2.09,-4.08,;-3.43,-4.85,;-1.9,-4.84,;-2.3,-6.31,;-.76,-6.4,;-2.11,-7.17,;-3.44,-6.4,;4.57,-4.82,;4.57,-6.37,;5.89,-7.14,;7.23,-6.37,;7.23,-4.82,;5.89,-4.06,)|

CN1CCC(C1)Oc1ccc(-c2cccc(N)n2)c2ccccc12

CN(C)CCOc1ccc(c2C3CCC(C3)c12)-c1cccc(N)n1

Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCCc12

CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12

CN(C)CCOc1ccc(c2CCCc12)-c1cccc(N)n1

CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCc12

CN(C)C1CCN(CCOc2ccc(-c3cccc(N)n3)c3ccccc23)CC1

CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCCc12

CN(C)C1CCCCC1Oc1ccc(-c2cccc(N)n2)c2ccccc12

Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCc12

CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3CCCCc23)CC1

CN1CCCC1COc1ccc(-c2cccc(N)n2)c2ccccc12

Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2ccccc12

CCc1ccnc(N)c1

Cc1cc(nc(c1)N)C

CC(=N)NCCSCC[C@H](N)C(O)=O

CCOC(=O)N1CCC(CC1)Nc1cc(OCC)ccn1

CCCC1CCCCCC(N)=N1 |w:11.11|

COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(Cl)cc2)c1

COc1ccnc(N)c1

COc1ccnc(NC2CCN(CC2)C(=O)c2ccccc2)c1

CNc1cc(C)cc(C)n1

CCOC(=O)N1CCC(CC1)Nc1ccccn1

COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1Cl |r|

COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccccc1Cl |r|

COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccccc1Cl |r|

CC[C@H](C)[C@H](NC(=O)\C=C\c1ccccc1Cl)C(=O)OC |r|

COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(Cl)cc1 |r|

COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(Cl)cc1 |r|

COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccc(Cl)cc1 |r|

CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(Cl)cc1)C(=O)OC |r|

COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 |r|

COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 |r|

COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 |r|

CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(Cl)c(Cl)c1)C(=O)OC |r|

COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(F)cc1 |r|

COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(F)cc1 |r|

COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccc(F)cc1 |r|

CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(F)cc1)C(=O)OC |r|

COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|

COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|

COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|

CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(cc1)C(F)(F)F)C(=O)OC |r|

COc1cc(\C=C\C(=O)N[C@H](Cc2ccc(O)cc2)C(O)=O)ccc1O |r|

NC1=NCCCSC1 |t:1|

CC1CC(N)=NC2CCCCC2S1 |c:4|

CC(C)CC1CSCCC(N)=N1 |c:10|

CC1CN=C(N)CCS1 |t:3|

CCCC1CSCCC(N)=N1 |c:9|

NC1=NC(CO)CSCC1 |t:1|

CCC[C@@H]1CSCCC(N)=N1 |c:9|

CC1CSCCC(N)=N1 |c:7|

CC1CSCCN=C1N |c:6|

CC1CC(N)=NCCS1 |c:4|

NC1=NCCCOC1 |t:1|

CCCCC1CSCCC(N)=N1 |c:10|

NC1=NCCNCC1 |t:1|

CCC[C@H]1CSCCC(N)=N1 |c:9|

CCC1CSCCC(N)=N1 |c:8|

CC[C@@H]1N=C(N)[Se][C@H]1C |t:3|

CC[C@@H]1N=C(N)[Se][C@@H]1C |t:3|

[#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|

CC[C@@H]1[Se]C(N)=N[C@H]1C |c:5|

CC[C@H]1N=C(N)[Se][C@H]1C |t:3|

CC[C@H]1[Se]C(N)=N[C@@H]1C |c:5|

CC[C@@H]1[Se]C(N)=N[C@@H]1C |c:5|

CC[C@H]1[Se]C(N)=N[C@H]1C |c:5|

CC[C@H]1N=C(N)[Se][C@@H]1C |t:3|

C[C@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|

C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4|

NC1=N[C@H]2CCCC[C@H]2CC1 |t:1|

NC1=N[C@H]2CCCC[C@@H]2CC1 |t:1|

C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|

C[C@@H]1CC(N)=N[C@@H]2CCCCC[C@H]12 |c:4|

CC1CC(N)=Nc2ccccc12 |c:4|

C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 |c:4|

C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12 |c:4|

Cc1cc(nc(c1)N)C#CCNC

Cc1cc(nc(c1)N)CCCNC

Cc1cc(nc(c1)N)CCCN(C)C

Cc1cc(nc(c1)N)C#CCN2CCN(CC2)C

Cc1cc(nc(c1)N)CCCN2CCN(CC2)C

Cc1cc(nc(c1)N)C#CCCN(C)C

Cc1cc(nc(c1)N)CCCCN(C)C

Cc1cc(nc(c1)N)C#CCN2CC(C2)(F)F

Cc1cc(nc(c1)N)CCCN2CC(C2)(F)F

Cc1cc(nc(c1)N)C#CCN2CCC(CC2)(F)F

Cc1cc(nc(c1)N)CCCN2CCC(CC2)(F)F

CSC(=N)NCC[C@@H](C)[C@H](N)C(=O)OC(C)(C)C

CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C

CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C

C[C@H](CCNC(C)=N)[C@H](N)C(O)=O

CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

CC(N)C(=O)OCC1CNc2nc(N)[nH]c(=O)c2N1

CCCN(CCC)c1nc(N)nc2NCC(Nc12)c1ccccc1

CCOCc1cnc2nc(N)[nH]c(=O)c2n1

Nc1nc2ncc(nc2c(=O)[nH]1)-c1cccc2ccccc12

Nc1nc2ncc(COC(=O)c3ccc(cc3)[C-]([N+]#N)C(F)(F)F)nc2c(=O)[nH]1

CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |w:20.21|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1C[C@H](N(Cc2ccccc2)C1)C(N)=O |w:8.8|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@H]1CCN[C@@H]1C(N)=O |w:8.8|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCN[C@@H]1C(N)=O |w:8.8|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NC1CCNCC1 |w:8.8|

CN[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:9.9|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCNC1 |w:8.8|

CN[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NC1CCNCC1 |w:9.9|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCCNC1 |w:8.8|

CN[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCNC1 |w:9.9|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@H]1CCCNC1 |w:8.8|

C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(O)=O

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@H]1CCNC1 |w:8.8|

CN[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCCNC1 |w:9.9|

CN(C)CCc1cc(F)c(F)c(c1)C#Cc1cc(Cl)cc(N)n1

CN(C)CCc1cc(F)c(F)c(c1)C#Cc1cc(C)cc(N)n1

CN(C)Cc1cc(F)c(F)c(c1)C#Cc1cc(C)cc(N)n1

CN(C)Cc1cc(F)c(F)c(C=Cc2cc(C)cc(N)n2)c1

CN(C)CCc1cc(F)c(F)c(C=Cc2cc(C)cc(N)n2)c1

CN(C)Cc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1

CN(C)CCc1cc(c(c(c1)F)F)CCc2cccc(n2)N

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN(C)C

CN(C)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)OC

Cc1cc(nc(n1)N)CCc2cc(cc(c2F)F)CCN(C)C

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN

CCN(CC)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)C

Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN3CCN(CC3)C

CN(C)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)C(F)F

CN(C)CCc1cc(F)c(F)c(CCc2cc(cc(N)n2)C(F)(F)F)c1

Clc1cccc2[nH]ncc12

Ic1cccc2[nH]ncc12

Brc1ccc2cn[nH]c2c1

Fc1ccc2cn[nH]c2c1

Brc1cccc2cn[nH]c12

Fc1cccc2[nH]ncc12

Brc1cccc2[nH]ncc12

Clc1cccc2cn[nH]c12

Clc1ccc2[nH]ncc2c1

c1cc2c(cc1I)cn[nH]2

[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C

[H][C@](N)(CCCNC(=N)SCC)C(O)=O

CC(=N)NCCCC[C@H](N)C(O)CO |r|

NC1=N[C@H](COc2ccc3CNCCc3c2)COc2ccsc12 |r,t:1|

CC=CC(N)=NCCC[C@H](N)C(O)=O |r,w:5.5,1.0|

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8]

CCCSC(N)=N

NC(=N)SCc1ccccc1

CCCCSC(N)=N

CC(C)SC(=N)N

[H]/N=C(\N)/SCCc1cccc(c1)CCSC(=N)N

CCSC(=N)Nc1ccccc1

CCSC(=N)Nc1ccc(cc1)C(F)(F)F

COc1ccnc(CCc2nc3ncccc3[nH]2)c1

NCc1cccc(NC(=N)c2ccco2)c1

Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F

S(c1ccncc1)c1ccncc1

N=C1Sc2ccccc2C2=NCCCN12 |t:10|

N=C(Nc1ccc2c(c1)CNCC2)c1cccs1

N=C(Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1

CN1CCc2ccc(NC(=N)c3cccs3)cc2C1

CSC(N)=N

NCc1cccc(NC(=N)n2cccn2)c1

NCCCCNC(=N)n1cccn1

Cc1cc(C)n(n1)C(N)=N

Cc1cnn(c1)C(N)=N

Cc1ccn(n1)C(N)=N

CC(C)CNC(=N)n1cccn1

N=C(NCC1CC1)n1cccn1

N=C(NC1CC1)n1cccn1

CCCCCNC(=N)n1cccn1

CCCCNC(=N)n1cccn1

CCCNC(=N)n1cccn1

NC(=N)n1cccn1

c1cn(cn1)-c1ccccc1

c1c[nH]cn1

OC(Cn1ccnc1)c1ccc(cc1)-c1ccccc1

C(Cn1ccnc1)c1ccc(cc1)-c1ccccc1

[O-][N+](=O)c1ccccc1C(=O)Cn1ccnc1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1

Cc1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O

N[C@@H](CCCCCc1cncn1-c1ccccc1)C(O)=O |r|

N[C@@H](CCCCc1cncn1-c1ccccc1)C(O)=O |r|

N[C@@H](CCCc1cncn1-c1ccccc1)C(O)=O |r|

N[C@@H](CCCCCCc1cnc[nH]1)C(O)=O |r|

N[C@@H](CCCCCc1cnc[nH]1)C(O)=O |r|

N[C@@H](CCCCc1cnc[nH]1)C(O)=O |r|

N[C@@H](CCCc1cnc[nH]1)C(O)=O |r|

N[C@@H](CCc1cnc[nH]1)C(O)=O |r|

FC(F)(F)c1ccc(OCCn2ccnc2)cc1

Brc1ccc(OCCn2ccnc2)cc1

Brc1cccc(OCCCCn2ccnc2)c1

Brc1ccccc1OCCCCn1ccnc1

FC(F)(F)c1ccc(OCCCCCCn2ccnc2)cc1

FC(F)(F)c1ccc(OCCCCn2ccnc2)cc1

FC(F)(F)c1ccc(OCCCn2ccnc2)cc1

Brc1ccc(OCCCCCCn2ccnc2)cc1

Brc1ccc(OCCCCn2ccnc2)cc1

Brc1ccc(OCCCn2ccnc2)cc1

C1CSC(=N1)N

Nc1nc(CCc2ccccc2)cs1

Cc1nc(N)sc1C

Cc1cnc(N)s1

Cc1csc(n1)N

c1csc(n1)N

CCCC(N)=NCCC[C@H](N)C(O)=O |r,w:5.5|

NCc1cccc(NC(=N)c2cccs2)c1

NCc1cccc(NC(=N)c2ccccn2)c1

OCc1cccc(NC(=N)CF)c1

NCc1cccc(NC(=N)CF)c1

CSCC(=N)Nc1cccc(CN)c1

NCC(=N)Nc1cccc(CN)c1

CC(=N)Nc1cccc(CN)c1

CC(=N)Nc1cccc(NC(C)=N)c1

CC(=N)Nc1cccc(c1)C(N)=N

CC(=N)Nc1cccc(NN)c1

CC(=N)Nc1cccc(c1)S(N)(=O)=O

CC(=N)Nc1cccc(CSC(N)=N)c1

CC(=N)Nc1cccc(CNCc2cccc(c2)C(C)=N)c1

CC(=N)Nc1cccc(CN=C(C)N)c1 |w:10.9|

CC(=N)Nc1cccc(CNO)c1

CC(=N)Nc1cccc(CN2CCOCC2)c1

CN(C)Cc1cccc(NC(C)=N)c1

CNCc1cccc(NC(C)=N)c1

CC(=N)Nc1cccc(CCN)c1

CC(=N)Nc1cccc(N)c1

CC(=N)Nc1ccc(CN)cc1

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CN[C@H](C1)C(N)=O |r,w:8.8|

NNC(=N)Nc1ccccc1

NNC(=N)NO

CCNC(=N)NN

CNC(=N)NN

CCSC(N)=Nc1ccncc1 |w:5.5|

CCSC(N)=Nc1cccnc1 |w:5.5|

CCSC(N)=Nc1ccccn1 |w:5.5|

CCSC(N)=Nc1ccc(cc1)N(C)C |w:5.5|

CCSC(N)=Nc1ccc(cc1)[N+]([O-])=O |w:5.5|

CCSC(N)=Nc1ccc(cc1)C(F)(F)F |w:5.5|

CCSC(N)=Nc1cccc(c1)C(F)(F)F |w:5.5|

CCSC(N)=Nc1ccccc1C(F)(F)F |w:5.5|

CCSC(N)=Nc1ccc(cc1)C1CCCCC1 |w:5.5|

CCSC(N)=Nc1ccc(cc1)C(C)C |w:5.5|

CCSC(N)=Nc1ccccc1C(C)C |w:5.5|

CCSC(N)=Nc1ccc(C)cc1 |w:5.5|

CCSC(N)=Nc1cccc(c1)C(O)=O |w:5.5|

CCOC(=O)c1ccc(cc1)N=C(N)SCC |w:11.11|

CCSC(N)=Nc1ccc(O)cc1 |w:5.5|

CCSC(N)=Nc1ccc(OCc2ccccc2)cc1 |w:5.5|

CCSC(N)=Nc1ccc(Oc2ccccc2)cc1 |w:5.5|

CCSC(N)=Nc1ccc(OC(F)(F)F)cc1 |w:5.5|

CCSC(N)=Nc1ccc(OC)cc1 |w:5.5|

CCSC(N)=Nc1cccc(OC)c1 |w:5.5|

CCSC(N)=Nc1ccccc1OC |w:5.5|

CCSC(N)=Nc1ccc(Cl)cc1 |w:5.5|

CCSC(N)=Nc1cccc(Cl)c1 |w:5.5|

CCSC(N)=Nc1ccccc1Cl |w:5.5|

CCSC(N)=Nc1ccccc1Br |w:5.5|

CCSC(N)=Nc1ccccc1 |w:5.5|

NC(=N)SCCCc1cccc(CCCSC(N)=N)c1

c1cc(ccc1CSC(=N)N)CSC(=N)N

[H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N

[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6](-[#7])=[#7]

NCCSC(N)=N

NC(=N)SCCCc1ccccc1

NC(=N)SCCc1ccccc1

CC(C)(C)SC(N)=N

CCSC(=N)N

Cn1ncc2cccc([N+]([O-])=O)c12

Brc1n[nH]c2c(cccc12)C#N

Brc1n[nH]c2c(I)cccc12

c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br

NC(=O)c1cccc2cn[nH]c12

N#Cc1cccc2cn[nH]c12

Ic1cccc2cn[nH]c12

c1cc2cn[nH]c2c(c1)N

FC(F)(F)S(=O)(=O)Oc1cccc2cn[nH]c12

OC(=O)c1cccc2cn[nH]c12

NC(=O)c1cccc2c(Br)n[nH]c12

OC(=O)c1cccc2c(Br)n[nH]c12

c1[nH]nnc1-c1cccc2c[nH]nc12

C#Cc1cccc2cn[nH]c12

c1[nH]nc2c(cccc12)-c1nnn[nH]1

Cn1nc(Br)c2cccc([N+]([O-])=O)c12

CC(=O)[C@@H]1C[C@H](CN1)NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16|

CC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16|

NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:10.9|

NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16|

Nc1cccc(C[C@H]2CNC[C@H]2NCCNCc2ccccc2)n1 |r|

N[C@@H](CN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r|

N[C@H](CN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r|

CN(C)CCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 |r|

Nc1cccc(C[C@H]2CNC[C@H]2N[C@@H]2CCNC2)n1 |r|

Nc1cccc(C[C@H]2CNC[C@H]2N[C@H]2CCNC2)n1 |r|

Nc1cccc(C[C@H]2CNC[C@H]2N[C@@H]2CCN(Cc3ccccc3)C2)n1 |r|

Nc1cccc(C[C@H]2CNC[C@H]2N[C@H]2CCN(Cc3ccccc3)C2)n1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(Cl)c2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(cc2)C(F)(F)F)c1 |r|

CN(CCNCc1ccc(Cl)cc1)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r|

CN(CCNCCc1cccc(F)c1)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r|

CN(CCN(C)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)CCc1cccc(F)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(F)cc2)c1 |r|

Cc1cccc(CNCCN[C@@H]2CNC[C@@H]2Cc2cc(C)cc(N)n2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)c(Cl)c2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2Cl)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccc(F)cc2)c1 |r|

Cc1cc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)cc(N)n1 |r|

Cc1cc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)cc(N)n1 |r|

C[C@@H](CN[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1 |r|

Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NC(=O)CNCCc2cccc(F)c2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCOCCc2cccc(F)c2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCC(=O)NCCc2cccc(F)c2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNC(=O)Cc2cccc(F)c2)c1 |r|

CC(F)Cc1cc(C)cc(N)n1

Cc1cc(N)nc(CCCF)c1

c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN

Cc1cc(N)nc(CC2CNCC2NCCN)c1

Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl

Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F

Cc1cc(N)nc(CC2CNCC2NCCNCCc2ccc(Cl)cc2)c1

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F

Cc1cc(N)nc(CC2CNCC2NCCOCCc2cccc(F)c2)c1

Cc1cc(N)nc(CC2CNCC2NC(=O)CNCCc2cccc(F)c2)c1

Nc1nc2ccccc2n1N

CNn1c(N)nc2ccccc12

CN=C(N)NCCCC(=N)P(O)O |w:1.0|

CN=C(N)NCCCC(N)P(O)(O)=O |w:1.0|

NC(CCCN=C(N)N[N+]([O-])=O)P(O)(O)=O |w:5.4|

NC(CCCNC(N)=N)P(O)(O)=O

NC(N[N+]([O-])=O)=NCCCC(=N)P(O)O |w:6.6|

NC(=N)NCCCC(=N)P(O)O

CC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:3.3|

CC(N)=Nc1ccccc1CC(N)C(O)=O |w:3.3|

[#7]-[#6](-[#6]-c1ccccc1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

CNC(N)=Nc1ccccc1CC(N)C(O)=O |w:4.4|

CNC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:4.4|

[#7]-[#6](-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

Fc1ccc2oc(=O)[nH]c2c1

CN1CCN(Cn2c3cc(Cl)ccc3oc2=O)CC1

Cc1ccc2oc(=O)[nH]c2c1

c1cc2c(cc1Cl)NC(=O)O2

Clc1ccc2oc(=O)n(CN3CCOCC3)c2c1

CN(CCc1ccccc1)Cn1c2cc(Cl)ccc2oc1=O

Clc1ccc2oc(=O)n(CN3CCSCC3)c2c1

O=c1[nH]c2cc(ccc2o1)C#N

CN(Cc1ccccc1)Cn1c2cc(Cl)ccc2oc1=O

Cc1cccc2oc(=O)[nH]c12

Clc1ccc2oc(=O)n(CN3CCCCC3)c2c1

Cc1ccc2[nH]c(=O)oc2n1

Sc1nc2cc(Cl)ccc2o1

Cc1ccc2[nH]c(=O)oc2c1

NC(N)=NCCCCNC(=O)[C@@]1(O)[C@H](Cc2c[nH]c3cc(Br)ccc23)[C@@](O)(Cc2c[nH]c3cc(Br)ccc23)C(=O)N1CCCCN=C(N)N |r,wU:11.10,25.28,wD:13.13,25.27,11.11,(16.15,-36.99,;15.31,-35.7,;16.01,-34.33,;13.77,-35.78,;12.93,-34.49,;11.39,-34.57,;10.56,-33.28,;9.02,-33.36,;8.18,-32.07,;6.64,-32.15,;5.94,-33.52,;5.8,-30.85,;7.29,-30.46,;4.32,-31.25,;4.23,-32.79,;3.15,-33.88,;4.68,-34.04,;5,-35.55,;3.66,-36.32,;3.34,-37.82,;1.88,-38.3,;1.48,-39.79,;.73,-37.27,;1.05,-35.76,;2.52,-35.29,;3.48,-29.96,;2.71,-28.63,;1.94,-29.88,;1.17,-31.21,;1.8,-32.62,;.65,-33.65,;-.68,-32.88,;-2.15,-33.36,;-3.29,-32.33,;-4.76,-32.8,;-2.97,-30.82,;-1.51,-30.35,;-.36,-31.38,;4.45,-28.76,;4.05,-27.28,;5.88,-29.32,;7.18,-28.48,;8.51,-29.25,;9.84,-28.48,;11.18,-29.25,;12.51,-28.48,;13.84,-29.25,;15.18,-28.48,;13.84,-30.79,)|

NC(N)=NCCCCNC(=O)[C@@]1(O)[C@H](Cc2c[nH]c3cc(Br)ccc23)[C@](O)(Cc2c[nH]c3cc(Br)ccc23)C(=O)N1CCCCN=C(N)N |r,wU:11.10,25.27,wD:13.13,25.28,11.11,(16.15,-36.99,;15.31,-35.7,;16.01,-34.33,;13.77,-35.78,;12.93,-34.49,;11.39,-34.57,;10.56,-33.28,;9.02,-33.36,;8.18,-32.07,;6.64,-32.15,;5.94,-33.52,;5.8,-30.85,;7.29,-30.46,;4.32,-31.25,;4.23,-32.79,;3.15,-33.88,;4.68,-34.04,;5,-35.55,;3.66,-36.32,;3.34,-37.82,;1.88,-38.3,;1.48,-39.79,;.73,-37.27,;1.05,-35.76,;2.52,-35.29,;3.48,-29.96,;2.71,-28.63,;1.94,-29.88,;1.17,-31.21,;1.8,-32.62,;.65,-33.65,;-.68,-32.88,;-2.15,-33.36,;-3.29,-32.33,;-4.76,-32.8,;-2.97,-30.82,;-1.51,-30.35,;-.36,-31.38,;4.45,-28.76,;4.05,-27.28,;5.88,-29.32,;7.18,-28.48,;8.51,-29.25,;9.84,-28.48,;11.18,-29.25,;12.51,-28.48,;13.84,-29.25,;15.18,-28.48,;13.84,-30.79,)|

NC(N)=NCCCCNC(=O)[C@]1(O)[C@H](Cc2c[nH]c3cc(Br)ccc23)[C@@](O)(Cc2c[nH]c3cc(Br)ccc23)C(=O)N1CCCCN=C(N)N |r,wU:25.28,11.11,wD:13.13,11.10,25.27,(16.15,-36.99,;15.31,-35.7,;16.01,-34.33,;13.77,-35.78,;12.93,-34.49,;11.39,-34.57,;10.56,-33.28,;9.02,-33.36,;8.18,-32.07,;6.64,-32.15,;5.94,-33.52,;5.8,-30.85,;7.29,-30.46,;4.32,-31.25,;4.23,-32.79,;3.15,-33.88,;4.68,-34.04,;5,-35.55,;3.66,-36.32,;3.34,-37.82,;1.88,-38.3,;1.48,-39.79,;.73,-37.27,;1.05,-35.76,;2.52,-35.29,;3.48,-29.96,;2.71,-28.63,;1.94,-29.88,;1.17,-31.21,;1.8,-32.62,;.65,-33.65,;-.68,-32.88,;-2.15,-33.36,;-3.29,-32.33,;-4.76,-32.8,;-2.97,-30.82,;-1.51,-30.35,;-.36,-31.38,;4.45,-28.76,;4.05,-27.28,;5.88,-29.32,;7.18,-28.48,;8.51,-29.25,;9.84,-28.48,;11.18,-29.25,;12.51,-28.48,;13.84,-29.25,;15.18,-28.48,;13.84,-30.79,)|

[O-][N+](=O)c1cccc2cn(nc12)[N+]([O-])=O

[O-][N+](=O)c1cccc2[nH]ncc12

[O-][N+](=O)c1ccc2[nH]ncc2c1

[O-][N+](=O)c1ccc2cn[nH]c2c1

[O-][N+](=O)c1ccc2c(Cl)n[nH]c2c1

c1ccc2c(c1)cn[nH]2

CCc1n[nH]c2ccccc12

Clc1n[nH]c2ccccc12

O=c1[nH][nH]c2ccccc12

c1cc2c(cc1N)cn[nH]2

Nc1ccc2cn[nH]c2c1

[O-][N+](=O)c1ccc2n(nc(Br)c2c1)[N+]([O-])=O

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F

Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F

Cc1cc(N)nc(CC2CNCC2OCCNCCOc2cccc(F)c2)c1

c1cnc([nH]1)N

N[C@@H](Cc1cnc(N)[nH]1)C(O)=O |r|

N[C@@H](CCc1cnc(N)[nH]1)C(O)=O |r|

NC(CCCc1cnc(N)[nH]1)C(O)=O

N[C@@H](CCCNc1ncc[nH]1)C(O)=O |r|

N[C@@H](CCCn1ccnc1N)C(O)=O |r|

Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2ccc(cc2)-c2ccccc2)n1 |r|

c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N

Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(F)cc3)c2)n1 |r|

Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1 |r|

Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 |r|

Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F |r|

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(F)c2)c1 |r|

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(Cl)c2)c1 |r|

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(c2)C(F)(F)F)c1 |r|

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(C)c2)c1 |r|

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(Cl)c2)c1 |r|

c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N

c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N

NC1=NC(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)CCC1 |r,t:1|

Cc1nccn1Cc1ccncc1

CC(c1ccccc1)n1ccnc1C

Cc1nccn1Cc1ccccc1

CC(N)=NCc1ccc2OCOc2c1 |w:3.3|

COc1cccc(CN=C(C)N)c1 |w:8.7|

CC(N)=NC(c1ccccc1)c1ccccc1 |w:3.3|

CC(C)C(N=C(C)N)c1ccccc1 |w:4.3|

CCC(N=C(C)N)c1ccccc1 |w:3.2|

CC(\[NH+]=C(\C)N)c1ccccc1

C\C(N)=[NH+]\Cc1ccccc1

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCN)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCCc2ccccc2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCCO)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(F)cc2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(c2)C(F)(F)F)c1 |r|

Cc1cccc(CNCCN[C@H]2CNC[C@@H]2Cc2cc(C)cc(N)n2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)c(Cl)c2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2Cl)c1 |r|

C[C@@H](CN[C@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccc(F)cc2)c1 |r|

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F

NCCN1C[C@H](Cc2cccc(N)n2)[C@@H](C1)NCCCc1ccccc1 |r|

NCCN1C[C@H](Cc2cccc(N)n2)[C@H](C1)NCCCc1ccccc1 |r|

NCCN1C[C@H](Cc2cccc(N)n2)[C@@H](C1)NCCCO |r|

NCCN1C[C@H](Cc2cccc(N)n2)[C@H](C1)NCCCO |r|

Nc1cccc(C[C@H]2CNC[C@@H]2O)n1 |r|

CN(C)CCN[C@H]1CNC[C@@H]1Cc1cccc(N)n1 |r|

Nc1cccc(C[C@H]2CNC[C@@H]2NCCNCc2ccccc2)n1 |r|

N[C@@H](CN[C@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r|

N[C@H](CN[C@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r|

Nc1cccc(C[C@H]2CNC[C@@H]2N[C@H]2CCNC2)n1 |r|

Nc1cccc(C[C@H]2CNC[C@@H]2N[C@@H]2CCNC2)n1 |r|

Nc1cccc(C[C@H]2CNC[C@@H]2N[C@H]2CCN(Cc3ccccc3)C2)n1 |r|

Nc1cccc(C[C@H]2CNC[C@@H]2N[C@@H]2CCN(Cc3ccccc3)C2)n1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2)c1 |r|

Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(cc2)C(F)(F)F)c1 |r|

Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F

Cc1cc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)cc(N)n1

Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C

Cc1cc(N)nc(CCc2ccc(CCc3cc(C)nc(N)c3)cc2)c1

Cc1cc(N)nc(CCc2ccc(CCc3cc(C)cc(N)n3)cc2)c1

Cc1cc(N)nc(CCc2ccc3ccc(CCc4cc(C)nc(N)c4)cc3c2)c1

Cc1cc(N)nc(CCc2ccc3ccc(CCc4cc(C)cc(N)n4)cc3c2)c1

Cc1cc(N)nc(CCc2ccc3cc(CCc4cc(C)cc(N)n4)ccc3c2)c1

Cc1cc(C)nc(NCc2ccc3cc(CNc4cc(C)cc(C)n4)ccc3c2)c1

NC(N)C1=NCC1 |t:3|

NC(=N)[C@H]1CCCN1 |r|

NC(=N)[C@@H]1CCCN1 |r|

O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2oc1=O |TLB:12:3:10:6.7.8,THB:12:7:10:4.3.11,11:3:6:10.9.8,11:9:6:12.4.3,2:3:10:6.7.8|

CN(C)c1cccc2c(cccc12)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:20.21.22,THB:26:21:24:18.17.25,25:17:20:24.23.22,25:23:20:26.18.17,16:17:24:20.21.22|

Fc1ccc2c(Cn3c(nc4ccccc34)-c3cncs3)cc(=O)[nH]c2c1F

Cn1cncc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

Cc1ccncc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

Fc1ccc2c(Cn3c(nc4ccccc34)-c3ccccn3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4ccccc34)-c3cccnc3)cc(=O)[nH]c2c1F

CCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

CC(C)(C)c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

Fc1ccc2c(Cn3c(CC4CCCC4)nc4ccccc34)cc(=O)[nH]c2c1F

Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)cccc12

Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

Fc1ccc2c(Cn3c(nc4ccccc34)-c3ccncc3)cc(=O)[nH]c2c1F

Cc1cnccc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

CC(C)c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

CCCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

Fc1ccc2c(Cn3c(nc4ccccc34)C3CC3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4ccccc34)C3CCC3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4ccccc34)C3CCCC3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4ccccc34)C3CCCCC3)cc(=O)[nH]c2c1F

CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

CC(C)CCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

Fc1ccc2c(Cn3c(CC4CC4)nc4ccccc34)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(CC4CCC4)nc4ccccc34)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4ncccc34)C3CCC3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4cnccc34)C3CCC3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4ccncc34)C3CCC3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4cccnc34)C3CCC3)cc(=O)[nH]c2c1F

Cc1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1

Fc1ccc2c(Cn3c(nc4c(Cl)ccnc34)C3CCC3)cc(=O)[nH]c2c1F

COc1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1

CN(C)c1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1

Fc1ccc2c(Cn3c(nc4c(ccnc34)C(F)(F)F)C3CCC3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F

Fc1ccc2c(Cn3c(nc4nccnc34)C3CCCC3)cc(=O)[nH]c2c1F

CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

CC(C)c1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

Fc1ccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c2c1F

Fc1cccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c12

CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)cccc12

Fc1cccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c12

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccc(F)cc2)c1 |r|

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(Cl)c2)c1 |r|

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccccc2Cl)c1 |r|

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)c2cccc(F)c2)c1 |r|

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F

CN(C)CCCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|

NC(=Nc1ccc2n(CCCNC3CC3)ccc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2n(CCCN3CCOCC3)ccc2c1)c1cccs1 |w:2.2|

CCN1CCCC1CNCCCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:21.23|

NC(=Nc1ccc2n(CCCNC34CC5CC(CC(C5)C3)C4)ccc2c1)c1cccs1 |w:2.2,TLB:11:12:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18|

CN(C)CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:14.15|

CN1CCCCC1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:18.20|

CN1CCCC1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:17.19|

CN1CCC[C@@H]1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |r,w:17.19|

CN1CCC[C@H]1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |r,w:17.19|

CN1CCCC1CCn1ccc2cc(ccc12)N=C(N)c1ccco1 |w:17.19|

CN1CCCC(CC1)n1ccc2cc(ccc12)N=C(N)c1cccs1 |w:17.19|

CN1CCCC(CC1)n1ccc2cc(ccc12)N=C(N)c1ccco1 |w:17.19|

CN1C2CCC1CC(C2)n1ccc2cc(ccc12)N=C(N)c1cccs1 |w:18.21|

NC(=Nc1ccc2n(ccc2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,(-1.86,-6.49,;-2.67,-5.18,;-1.95,-3.82,;-.41,-3.77,;.41,-5.08,;1.95,-5.03,;2.67,-3.67,;4.16,-3.3,;4.27,-1.76,;2.84,-1.18,;1.85,-2.36,;.31,-2.42,;5.34,-4.29,;5.34,-5.83,;6.67,-6.59,;8,-5.82,;8.06,-4.28,;6.67,-3.51,;7.41,-4.8,;6.06,-5.17,;-4.21,-5.23,;-5.06,-3.94,;-6.54,-4.36,;-6.6,-5.9,;-5.16,-6.43,)|

CN1CCC(CC1)n1ccc2cc(ccc12)N=C(N)c1cccs1 |w:16.18|

NC(=Nc1ccc2n(CCN3CCCCC3)ccc2c1)c1cccs1 |w:2.2|

CN1CCCC1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|

CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1ccco1 |w:17.19|

C(CNCc1ccc2OCOc2c1)CN(Cc1nccs1)c1nc(ns1)-n1ccnc1

C(CNCc1ccc2OCOc2c1)CN(Cc1cccnc1)c1nc(ns1)-n1ccnc1

C(CNCc1ccc2OCOc2c1)CN(Cc1cccs1)c1nc(ns1)-n1ccnc1

C(CNCc1ccc2OCOc2c1)CN(Cc1ccco1)c1nc(ns1)-n1ccnc1

CCCN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)NCCc1ccc2OCOc2c1

CN(CCN1CCCC1c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1

CC(NCCN(C)Cc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1

Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)CNCc1ccc2OCOc2c1

CN(C)c1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1

N#CCN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

CNC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

CCOC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

C(CNCc1ccc2OCOc2c1)CN(Cc1ccc2occc2c1)c1nc(ns1)-n1ccnc1

Cc1cc(nc(n1)-n1ccnc1)C1CCCN1CC(=O)NCc1ccc2OCOc2c1

NC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

Oc1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1

Cn1cnc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)c1

C(CNCc1ccc2OCOc2c1)CN(C1CC1)c1nc(ns1)-n1ccnc1

Cc1cc(CCCCNCc2ccc3OCOc3c2)nc(n1)-n1ccnc1

Cc1cc(CNC(=O)NCCc2ccc3OCOc3c2)nc(n1)-n1ccnc1

Cc1cc(CNC(=O)CNCc2ccc3OCOc3c2)nc(n1)-n1ccnc1

Cc1cc(nc(n1)-n1ccnc1)C(C)(C)NCCNCc1ccc2OCOc2c1

CN(CCn1cccc1-c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1

CN(CCNC(=O)c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1

CC(NCCOCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1

CN(C)C(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

C(CNCc1ccc2OCOc2c1)CN(Cc1nnn[nH]1)c1nc(ns1)-n1ccnc1

OC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

CN(CCCNCc1ccccc1)c1nc(ns1)-n1ccnc1

CN(CCCNCc1ccc2OCCOc2c1)c1nc(ns1)-n1ccnc1

COc1ccc(CNCCCN(C)c2nc(ns2)-n2ccnc2)cc1

COc1ccc(CNCCCN(C)c2nc(ns2)-n2ccnc2)cc1OC

CN(CCCNCc1ccc(F)c(F)c1)c1nc(ns1)-n1ccnc1

CN(CCCNCc1ccncc1)c1nc(ns1)-n1ccnc1

CN(CCCNCc1ccc2[nH]ccc2c1)c1nc(ns1)-n1ccnc1

CN(CCCNC(=O)c1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

CN(CCCNCc1ccc2OC(F)(F)Oc2c1)c1nc(ns1)-n1ccnc1

CN(CCCNCCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1

CN(C)CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|

CCN(CC)CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:18.19|

NC(=Nc1ccc2N(CCN3CCCCC3)C(=O)CCc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2N(CCN3CCCC3)C(=O)CCc2c1)c1cccs1 |w:2.2|

CN1CCCC1CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:19.21|

CN(C)CCN1C(=O)CCc2cc(cc(F)c12)N=C(N)c1cccs1 |w:17.18|

CN(C)CCCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:17.18|

NC(=Nc1ccc2N(CCCN3CCCC3)C(=O)CCc2c1)c1cccs1 |w:2.2|

CN(C)CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|

CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|

CN1CCC[C@@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|

CCN(CC)CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:17.18|

CN(C)CCN1CCCc2cc(cc(F)c12)N=C(N)c1cccs1 |w:16.17|

CN(C)CCCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|

NC(=Nc1ccc2N(CCCN3CCCC3)CCCc2c1)c1cccs1 |w:2.2|

CN1CCC(CC1)N1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:17.19|

NC(=Nc1ccc2N(CCCc2c1)C1CCNCC1)c1cccs1 |w:2.2|

CN1CCC(C1)N1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.18|

Fc1ccc2c(CN(c3cccc(Cl)c3)c3ccccn3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(c3cccnc3)c3cccc(Cl)c3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(c3ccncc3)c3cccc(Cl)c3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(c3cccc(Cl)c3)c3cccnn3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(c3cccc(Cl)c3)c3ccncn3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(c3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(c3cccc(Cl)c3)c3ncccn3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(c3cncnc3)c3cccc(Cl)c3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(Cc3ccccc3)c3cnccn3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(Cc3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F

Fc1ccc2c(CN(Cc3ccc(Cl)cc3)c3cnccn3)cc(=O)[nH]c2c1F

Fc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1

Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1

Fc1ccc2c(CN(Cc3ccccn3)c3cnccn3)cc(=O)[nH]c2c1F

Cc1nccc(n1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

Cc1cc(ncn1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

CN(C)c1cc(ncn1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

COc1cc(ncn1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

Cn1ncc2c(ncnc12)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1

CC(C)c1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cc2cccc([N+]([O-])=O)c2n1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cc2ccccc2n1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1nc2ccccc2n1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2ncccc12

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1nnc2ccccc12

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2cccnc12

Cc1cc2ncn(CC(=O)c3ccc(cc3)[N+]([O-])=O)c2cc1C

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2ccccc12

O=C(Cn1cnc2ccccc12)c1ccccc1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cncn1

Cc1cc(C)n(CC(=O)c2ccc(cc2)[N+]([O-])=O)n1

Cc1ccnn1CC(=O)c1ccc(cc1)[N+]([O-])=O

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cccn1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cccc1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1

CCc1nc(C)cn1CC(=O)c1ccc(cc1)[N+]([O-])=O

[O-][N+](=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1)-c1ccccc1

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1-c1ccccc1

CCCc1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O

CC(C)c1nccn1CC(=O)c1ccc(Br)cc1

CC(C)c1nccn1CC(=O)c1ccccc1

Cc1cncn1CC(=O)c1ccc(cc1)[N+]([O-])=O

Cc1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1

Cc1nccn1CC(=O)c1ccc(Br)cc1

Cc1nccn1CC(=O)c1ccccc1

FC(F)(F)S(=O)(=O)c1ccc(cc1)C(=O)Cn1ccnc1

CN[C@H]1CC[C@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(9.98,-4.84,;11.31,-4.07,;11.31,-2.53,;12.65,-1.76,;12.65,-.21,;11.31,.55,;9.98,-.22,;9.98,-1.76,;11.32,2.09,;12.23,3.35,;11.32,4.6,;9.84,4.12,;8.51,4.88,;7.18,4.11,;7.18,2.57,;8.51,1.8,;9.84,2.57,;5.84,1.8,;4.51,2.57,;4.51,4.11,;3.18,1.8,;1.77,2.44,;.74,1.29,;1.51,-.04,;3.02,.28,)|

NC(=Nc1ccc2CCN(C3CCCCC3)c2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2CCN(C3CCOCC3)c2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2CCN(C3CCSCC3)c2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2CCN(CCN3CC[C@@H](O)C3)c2c1)c1cccs1 |r,w:2.2|

NC(=Nc1ccc2CCN(CCNCCO)c2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2CCN(C3CCNC3)c2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2CCN(C3CCNCC3)c2c1)c1cccs1 |w:2.2|

NC(=Nc1cc2N(CCc2cc1F)C1CCNCC1)c1cccs1 |w:2.2|

CN[C@H]1CC[C@@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wU:2.1,wD:5.8,(9.98,-4.84,;11.31,-4.07,;11.31,-2.53,;9.98,-1.76,;9.98,-.22,;11.31,.55,;12.65,-.21,;12.65,-1.76,;11.32,2.09,;12.23,3.35,;11.32,4.6,;9.84,4.12,;8.51,4.88,;7.18,4.11,;7.18,2.57,;8.51,1.8,;9.84,2.57,;5.84,1.8,;4.51,2.57,;4.51,4.11,;3.18,1.8,;1.77,2.44,;.74,1.29,;1.51,-.04,;3.02,.28,)|

CN[C@H]1CC[C@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:5.8,2.1,(7.37,-3.67,;8.7,-2.9,;8.7,-1.36,;10.04,-.59,;10.04,.95,;8.7,1.71,;7.37,.94,;7.37,-.59,;8.71,3.26,;9.62,4.51,;8.71,5.77,;7.23,5.29,;5.9,6.05,;4.57,5.28,;3.23,6.05,;4.57,3.74,;5.9,2.97,;7.23,3.74,;3.23,2.97,;1.9,3.74,;1.9,5.28,;.57,2.97,;-.84,3.6,;-1.87,2.46,;-1.1,1.13,;.41,1.45,)|

CN[C@H]1CC[C@@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1 |r,w:18.20,wU:2.1,wD:5.8,(10.87,-4.48,;12.2,-3.71,;12.2,-2.17,;10.87,-1.4,;10.87,.13,;12.21,.91,;13.54,.14,;13.54,-1.4,;12.21,2.45,;13.12,3.7,;12.21,4.96,;10.73,4.48,;9.4,5.24,;8.07,4.47,;6.74,5.24,;8.07,2.93,;9.4,2.16,;10.73,2.93,;6.73,2.16,;5.4,2.93,;5.4,4.47,;4.07,2.16,;2.66,2.79,;1.63,1.65,;2.4,.32,;3.91,.64,)|

COC(=O)[C@@H](N)CCCNC(N)=NC |r,w:12.12|

CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccc(C)s1 |w:16.18,c:4|

CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccccc1 |w:16.18|

CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|

NC(=[NH2+])NCC#C

NC(=NC1CC1)n1cccn1 |w:2.2|

NC(=NCC1CC1)n1cccn1 |w:2.2|

[NH3+]Cc1cccc(NC(=[NH2+])n2cccn2)c1

CCCCNC(=N)NCCC

CC(C)CN=C(N)n1cccn1 |w:4.3|

CC(=N)NCCOCCC(N)C(O)=O

CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O

CC(=N)NCCSC[C@@H](N)C(O)=O

CC(=N)NCCS(=O)(=O)C[C@@H](N)C(O)=O

CC(=N)NCCOC[C@H](N)C(O)=O

CC(=N)NCCCCCC(N)C(O)=O

CC(=N)NCCS(=O)C[C@@H](N)C(O)=O

CC(=N)NCCCC[C@@H](N)C(O)=O

CC(=N)NCCCS(=O)(=O)C[C@H](N)C(O)=O

CC(=N)NCCSCC[C@@H](N)C(O)=O

CC(=N)NCCCSC[C@H](N)C(O)=O

CC(=N)NCCSC[C@H](N)C(O)=O

CC(=N)NCCCOC[C@H](N)C(O)=O

CC(=N)NCCS(=O)CCC(N)C(O)=O

NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2|

NC1=Nc2cc(CNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 |t:1|

CNCCOc1ccc2[C@H]3CCC[C@H]3C(N)=Nc2c1 |c:16|

NC1=Nc2cc(CCNCc3cccc(Cl)c3)c(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|

NC1=Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 |t:1|

NC(=Nc1ccc(N)cc1)c1cccs1 |w:2.2|

CC(C)(C)c1cc(CCCNCc2cccc(c2)N=C(N)c2cccs2)cc(c1O)C(C)(C)C |w:18.18|

NCc1cccc(c1)N=C(N)c1cccs1 |w:8.8|

NCCc1ccc(cc1)N=C(N)c1cccs1 |w:9.9|

CC(C)(C)c1cc(CNCc2cccc(c2)N=C(N)c2cccs2)cc(c1O)C(C)(C)C |w:16.16|

NCc1ccc(cc1)N=C(N)c1cccs1 |w:8.8|

CC(C)(C)c1cc(CCNCc2cccc(c2)N=C(N)c2cccs2)cc(c1O)C(C)(C)C |w:17.17|

CC(C)c1cc(CCCNCc2cccc(c2)N=C(N)c2cccs2)cc(C(C)C)c1O |w:17.17|

NC1=NCCC1 |t:1|

N[C@@H](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O

C1CNC(=NC1)N

CN(CCC[C@H](N)C(O)=O)C(N)=N

NC1=NCCCS1 |t:1|

NC1=NCCCO1 |t:1|

NC1=NCCCCCCC1 |w:2.2|

CSC(N)=Nc1ccc(cc1)C(F)(F)F |w:4.4|

CC(C)SC(N)=Nc1ccc(cc1)C(F)(F)F |w:6.6|

CCSC(N)=Nc1ccc(cc1)C(O)=O |w:5.5|

CS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O

CCCSC(N)=Nc1ccc(cc1)C(F)(F)F |w:6.6|

CCS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O

CSC(N)=Nc1ccc(Cl)cc1 |w:4.4|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,w:5.4|

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

COC(=O)[C@@H](CCCN=C(N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1 |w:8.7|

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)OCc1ccccc1 |r,w:16.16|

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:20.20|

COC(=O)[C@H](CCCN=C(N)N[N+]([O-])=O)NC(=O)[C@@H](N)Cc1ccccc1 |r,w:8.7|

N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O

NC(CCC[N-]C(=[NH2+])[N+]([O-])=O)C(O)=O

COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:20.20|

COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1 |r|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r,w:5.4|

COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCNC(=N)N[N+]([O-])=O

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O

COC(=O)[C@@H](CCCN=C(N)N[N+]([O-])=O)NC(=O)[C@@H](N)Cc1ccccc1 |w:8.7|

CC(=O)C([NH3+])CCCNC(=N)NCC=C

[NH3+]C(CCCNC(=N)NCC#C)C([O-])=O

CCCNC(=N)NCCCC([NH3+])C([O-])=O

CCNC(=N)NCCCC([NH3+])C([O-])=O

[H]/N=C(/C)\NCc1cccc(c1)CN

CC(N)=Nc1ccc(CO)cc1 |w:3.3|

NCc1cccc(c1)N=C(N)c1ccco1 |w:8.8|

CC(N)=Nc1ccc(CNc2ccccn2)cc1 |w:3.3|

NCc1cccc(c1)N=C(N)CF |w:8.8|

CC(N)=Nc1ccc(CC(O)=O)cc1 |w:3.3|

NCc1cccc(c1)N=C(N)c1ccccn1 |w:8.8|

CC(N)=Nc1ccc(cc1)C(N)=N |w:3.3|

CC(N)=Nc1ccc(cc1)C(O)=O |w:3.3|

C\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O

CC(N)=Nc1ccc(CNO)cc1 |w:3.3|

CC(N)=Nc1ccc(CN2CCOCC2)cc1 |w:3.3|

CC(N)=Nc1ccc(cc1)-c1csc(N)n1 |w:3.3|

CC(N)=Nc1ccc(O)cc1 |w:3.3|

CC(N)=Nc1ccc(cc1)N=C(C)N |w:10.10,3.3|

CSc1ccc(cc1)N=C(C)N |w:8.8|

COc1ccc(cc1)N=C(C)N |w:8.8|

CC(N)=Nc1ccc(CN)cc1 |w:3.3|

CC(N)=Nc1ccc(cc1)S(N)(=O)=O |w:3.3|

COC(=O)Cc1ccc(cc1)N=C(C)N |w:11.11|

CC(N)=Nc1ccc(cc1)C(C)=O |w:3.3|

CC(N)=Nc1ccc(F)cc1 |w:3.3|

CC(N)=Nc1ccc(cc1)C(N)=O |w:3.3|

CC(N)=Nc1ccc(Cn2cccn2)cc1 |w:3.3|

CC(O)c1ccc(cc1)N=C(C)N |w:9.9|

CSCC(N)=Nc1cccc(CN)c1 |w:5.5|

CC(N)=Nc1ccc(Br)cc1 |w:3.3|

CC(N)=Nc1ccc(CNCc2cccc(c2)C(C)=N)cc1 |w:3.3|

CNCc1ccc(cc1)N=C(C)N |w:9.9|

NC(CF)=Nc1cccc(CO)c1 |w:4.4|

CNC(C)=Nc1cccc(CN)c1 |w:4.4|

CC(N)=Nc1cccc(CN)c1 |w:3.3|

CC(N)=Nc1ccccc1 |w:3.3|

NCC(N)=Nc1cccc(CN)c1 |w:4.4|

CC(N)=Nc1ccc(cc1)C(=O)OC(C)(C)C |w:3.3|

CN(C)c1ccc(cc1)N=C(C)N |w:9.9|

CC(N)=Nc1ccc(CC(=O)N2CCOCC2)cc1 |w:3.3|

CC(N)=Nc1ccc(cc1)-c1cc[nH]n1 |w:3.3|

CC(N)=Nc1ccc(CNC(=O)N2CCOCC2)cc1 |w:3.3|

CC(N)=Nc1ccc(CSC(N)=N)cc1 |w:3.3|

CN(C)Cc1ccc(cc1)N=C(C)N |w:10.10|

CC(N)=Nc1ccc(cc1)C#N |w:3.3|

CC(N)=Nc1ccc(N)cc1 |w:3.3|

CC(N)=Nc1ccc(NN)cc1 |w:3.3|

CC(N)=Nc1ccc(CN2CCc3ccccc3C2)cc1 |w:3.3|

CC(N)=Nc1ccc(CCN)cc1 |w:3.3|

CC(=N)NCc1ccc(cc1)N=C(C)N |w:11.11|

CCCCCC1N=C(N)CC1C |t:6|

NC1=NC(Cc2ccccc2)C(C1)C(F)(F)F |t:1|

CCCCCC1N=C(N)CC1C(F)(F)F |t:6|

CC1CC(N)=NC1Cc1ccccc1 |c:4|

CCC1N=C(N)CC1C |t:3|

CCCCC1N=C(N)CC1C |t:5|

CC1CCN=C1N |c:4|

CC1CCC(N)=N1 |c:5|

CCCC1N=C(N)CC1C |t:4|

CC1CN=C(N)C1 |t:3|

CCC1CN=C(N)C1 |t:4|

CCC(CC)CC1CCCCC(N)=N1 |c:12|

NC1=NCCCCC1CC=C |t:1|

C[C@@H]1CCCC(N)=NC1 |c:6|

CCC1CCCCN=C1N |c:7|

CCCC1CCCCC(N)=N1 |c:9|

NC1=NC(CCCC1)c1ccccc1 |t:1|

CC1CCN=C(N)CC1 |t:4|

NC1=NC(CC=C)CCCC1 |t:1|

NC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:11.10|

NCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:13.12|

NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:14.13|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,w:5.4|

NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:14.13|

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:5.4,19.18|

NCCCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCCCCNC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O

CN([C@@H](CCCCN)C(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

COC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

CC(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@@H](CCN)C(N)=O

CC(C)(C)OC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCCNC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

CN([C@@H](CCCN)C(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCCCNC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCC[C@H](NC(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)OCc1ccccc1)C(N)=O

CN([C@@H](CCN)C(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(O)=O

NCCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCCCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O

CC(N)=[NH+]CCCC[C@H]([NH3+])C(=O)Nc1nnn[nH]1 |w:3.3|

N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)NC1CNC(C1)C(N)=O

NCCCC[C@@H](N)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1

NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1

NC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O

COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@@H](N)Cc1ccccc1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccnc1

NCc1cccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)c1

CCCCC[C@H]1N=C(N)C[C@H]1C |t:6|

COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1

NCc1ccccc1NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O

Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(=O)C1CCC(CC1)c1ccc(cc1)N=C(N)c1cccs1 |w:29.32,wU:6.16,wD:6.6,(13.73,-2.01,;12.4,-2.78,;11.06,-2.01,;11.04,-.47,;9.74,-2.78,;8.41,-2.01,;7.07,-2.78,;7.05,-1.24,;7.05,-4.32,;8.38,-5.11,;9.73,-4.34,;11.06,-5.11,;11.06,-6.65,;12.4,-4.34,;13.73,-5.11,;5.74,-2.01,;5.75,-.47,;4.39,-2.76,;4.39,-4.29,;3.04,-5.05,;1.71,-4.27,;1.73,-2.73,;3.06,-1.97,;.37,-5.02,;-.95,-4.23,;-2.29,-4.99,;-2.31,-6.53,;-.97,-7.31,;.36,-6.56,;-3.66,-7.29,;-4.98,-6.51,;-4.96,-4.97,;-6.31,-7.26,;-6.5,-8.8,;-8,-9.11,;-8.76,-7.77,;-7.74,-6.63,)|

NCCc1ccccc1NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O

NCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O

N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O

NCCc1cccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)c1

NCCCC[C@H](N)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O

N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@@H](N)C(N)=O

NCCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1

NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2c(F)ccc(F)c12 |t:1|

CCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2 |c:22|

NC1=NC(Nc2c(F)ccc(F)c12)c1ccco1 |t:1|

NC1=NC2(CCN(CC2)C(=O)c2ccsc2)Nc2cccc(F)c12 |t:1|

NC1=NC(Nc2cccc(F)c12)c1ccc(F)cc1 |t:1|

CCOC(=O)N1CCC2(CC1)Nc1ccsc1C(N)=N2 |c:20|

NC1=NC(Nc2cccc(F)c12)C1CCC1 |t:1|

NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2cccc(F)c12 |t:1|

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1ccccn1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccccc1N

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccncc1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1ccc(N)cc1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccc(N)c1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1ccc(N)cc1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccnc1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccc(N)cc1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1ccccc1N

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccc(N)c1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccccn1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1ccncc1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccc(N)c1

N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O

N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H]1CN[C@H](C1)C(N)=O |r,w:5.4|

CC(=N)NCC(F)(F)CCC(N)C(O)=O

CC(=N)NC[C@@H](F)CC[C@@H](N)C(O)=O

CC(=N)NCC(F)(F)CC[C@H](N)C(O)=O

CC(=N)NCC(F)CCC(N)C(O)=O

CC(=N)NC[C@@H](F)CC[C@H](N)C(O)=O

CCc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1

CCc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1

COc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1

COc1cc(c(OC)cc1CCCN(C)C)-c1cccc(N)n1

CCc1cc(c(OC)cc1CCCN(C)C)-c1cccc(N)n1

CCc1cc(c(OC)cc1CCN(C)C)-c1cccc(N)n1

COc1cc(c(OC)cc1CCN(C)C)-c1cccc(N)n1

COc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1

CCCCC1CSC(N)=N1 |c:8|

NC1=NCC(C1)c1ccccc1 |t:1|

CC1CN=C(N)S1 |t:3|

N=C1CCC2CCCN12

N=C1CCC2CCCCN12

CCC1CC(C)C(N)=N1 |c:7|

CC(C)C1CN=C(N)C1 |t:5|

CC1CC(N)=NC1C |c:4|

NC1=NCC2CCCC12 |t:1|

CCC1CN=C(N)C1C |t:4|

NC1=NC(CS1)c1ccccc1 |t:1|

N=C1SCC2CCCN12

NC1=NC2CCCC2C1 |t:1|

CCCC1CC(N)=NC1CC |c:6|

CC1CN=C(N)C1C |t:3|

CCCC1CC(N)=NC1C |c:6|

NC1=NCC2CCCCC12 |t:1|

N=C1SCC2CCCCN12

CCCC1CN=C(N)C1 |t:5|

CCC1CC(N)=NC1C |c:5|

C[C@@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1

c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl

C[C@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1

Clc1ccc(CCC2(Cn3ccnc3)SCCS2)cc1

C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1

C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1

COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1 |w:24.26|

NC(=Nc1ccc2nc(NC3CCN(CCc4ccc(Br)cc4)CC3)sc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2nc(NC3CCN(CC3)C3CCOCC3)sc2c1)c1cccs1 |w:2.2|

CN1CCCC1CCNc1nc2cc(ccc2s1)N=C(N)c1cccs1 |w:18.20|

NC(=Nc1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2nc(NCCN3CCOCC3)sc2c1)c1cccs1 |w:2.2|

COc1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:23.25|

NC(=Nc1ccc2sc(NC3CCN(Cc4ccccc4)CC3)nc2c1)c1cccs1 |w:2.2|

CCSC(N)=Nc1ccc2sc(N)nc2c1 |w:5.5|

NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2nc(N)sc2c1)c1cccs1 |w:2.2|

CCSC(N)=Nc1ccc2nc(N)sc2c1 |w:5.5|

NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(F)cc4)CC3)sc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2sc(NCCN3CCOCC3)nc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2sc(NCCc3ccccn3)nc2c1)c1cccs1 |w:2.2|

COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:25.27|

NC(=Nc1ccc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2c1)c1cccs1 |w:2.2|

NC(=Nc1ccc2sc(N)nc2c1)c1cccs1 |w:2.2|

CC(C)CN(Cc1cc(Cl)ccc1C#N)[C@@H]1CCCN(C)C1

CC(C)CN(Cc1cc(Cl)ccc1C#N)[C@H]1CCCN(C)C1

CC(C)CN(Cc1cc(Cl)ccc1C#N)[C@@H]1CCCNC1

CC(C)CN(Cc1cc(Cl)ccc1C#N)[C@H]1CCCNC1

CN(Cc1cc(Cl)ccc1C#N)C1CCCNCC1 |w:12.12|

CN(Cc1cc(Cl)ccc1C#N)C1CCNC1 |w:12.12|

CN(Cc1cc(Cl)ccc1C#N)C1CCCNC1 |w:12.12|

Clc1ccc(C#N)c(CN(CC2CC2)C2CCNCC2)c1

CC(C)CN(Cc1cc(Cl)ccc1C#N)C1CCNCC1

CC(C)N(Cc1cc(Cl)ccc1C#N)C1CCNCC1

CCCN(Cc1cc(Cl)ccc1C#N)C1CCNCC1

CCN(Cc1cc(Cl)ccc1C#N)C1CCNCC1

CN(Cc1cc(Cl)ccc1C#N)C1CCN(CCc2ccccc2)CC1

CN(Cc1cc(Cl)ccc1C#N)C1CCN(Cc2ccccc2)CC1

CN(Cc1cc(Cl)ccc1C#N)C1CCN(CC2CC2)CC1

CC(C)CCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N

CCCCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N

CCCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N

CCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N

CN(Cc1cc(Cl)ccc1C#N)C1CCNCC1

CN(Cc1cc(Cl)ccc1Br)C1CCN(C)CC1

CN(Cc1cc(Cl)ccc1C(F)(F)F)C1CCN(C)CC1

CN(Cc1cc(Br)ccc1C#N)C1CCN(C)CC1

CN(Cc1cc(Cl)ccc1C#N)C1CCN(C)CC1

CN(Cc1cc(Cl)ccc1[N+]([O-])=O)C1CCN(C)CC1

CC(=O)C1Nc2c(NC1(C)C)nc(N)[nH]c2=O

C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O

CN(CCC[C@H](N)C(O)=O)C(NO)N=O |r|

CN(CCC[C@H](N)C(O)=O)C(N)=O |r|

COc1ccc(cc1)-c1ccc(cc1)C(=O)C1CN[c+]2cc(C)ccn2C1

Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N

Cc1cc(C)n2CC(CN[c+]2c1)C(=O)c1ccc2cc(C)ccc2c1

CN1CCC(C1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:15.17|

CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18|

NC(=Nc1ccc2c(c[nH]c2c1)C1=CN2CCC1CC2)c1cccs1 |w:2.2,t:14,TLB:7:12:16.15:18.19,(3.98,-16.46,;3.98,-18,;5.31,-18.77,;6.65,-18.01,;6.64,-16.48,;7.97,-15.7,;9.31,-16.48,;10.78,-16.01,;11.68,-17.26,;10.76,-18.5,;9.3,-18.02,;7.98,-18.78,;11.27,-14.55,;11.08,-13.17,;12.55,-12.53,;13.89,-13.13,;14.18,-14.53,;12.81,-13.9,;13.06,-12,;12.62,-10.89,;2.64,-18.77,;2.16,-20.23,;.61,-20.23,;.14,-18.76,;1.39,-17.85,)|

NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|

CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|

NC(=Nc1ccc2N(CCN3CCCC3)CCCCc2c1)c1cccs1 |w:2.2|

CN1CCCC1CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:19.21|

CNCCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|

CN1CCC(CC1)N1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:18.20|

NC(=Nc1ccc2N(CCCCc2c1)C1CCNCC1)c1cccs1 |w:2.2|

NC(=Nc1ccc2N(CCCCc2c1)C1CCNC1)c1cccs1 |w:2.2|

CN1CCC(C1)N1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:17.19|

NC(=Nc1ccc2N(CCN3CCCCC3)CCCCc2c1)c1cccs1 |w:2.2|

CN(C)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(16.22,-3.48,;14.68,-3.47,;13.92,-2.13,;13.9,-4.8,;12.36,-4.79,;11.58,-6.12,;12.34,-7.45,;13.89,-7.46,;14.66,-6.14,;11.56,-8.78,;12.48,-10.03,;11.56,-11.28,;10.09,-10.81,;8.76,-11.58,;7.42,-10.81,;7.42,-9.26,;8.75,-8.49,;10.09,-9.25,;6.09,-8.49,;4.76,-9.26,;4.76,-10.8,;3.42,-8.49,;3.4,-6.95,;1.93,-6.5,;1.05,-7.76,;1.97,-8.99,)|

CCNC1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,c:6|

CN(C)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wU:6.9,wD:3.2,(18.44,-8.44,;16.9,-8.43,;16.14,-7.09,;16.12,-9.76,;14.58,-9.75,;13.8,-11.08,;14.56,-12.41,;16.11,-12.42,;16.88,-11.1,;13.79,-13.74,;14.7,-14.99,;13.79,-16.25,;12.31,-15.77,;10.98,-16.54,;9.65,-15.77,;9.65,-14.22,;10.98,-13.45,;12.31,-14.22,;8.31,-13.45,;6.98,-14.22,;6.98,-15.76,;5.65,-13.45,;5.63,-11.91,;4.16,-11.46,;3.27,-12.72,;4.2,-13.95,)|

CN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(11.34,3.76,;9.8,3.77,;9.03,2.44,;7.48,2.45,;6.7,1.12,;7.46,-.2,;9.01,-.22,;9.78,1.1,;6.69,-1.53,;7.6,-2.79,;6.69,-4.04,;5.21,-3.56,;3.88,-4.33,;2.55,-3.56,;2.55,-2.02,;3.88,-1.25,;5.21,-2.01,;1.22,-1.25,;-.12,-2.02,;-.12,-3.56,;-1.45,-1.25,;-1.47,.3,;-2.94,.75,;-3.83,-.51,;-2.9,-1.74,)|

CN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wU:5.8,wD:2.1,(11.34,3.76,;9.8,3.77,;9.03,2.44,;7.48,2.45,;6.7,1.12,;7.46,-.2,;9.01,-.22,;9.78,1.1,;6.69,-1.53,;7.6,-2.79,;6.69,-4.04,;5.21,-3.56,;3.88,-4.33,;2.55,-3.56,;2.55,-2.02,;3.88,-1.25,;5.21,-2.01,;1.22,-1.25,;-.12,-2.02,;-.12,-3.56,;-1.45,-1.25,;-1.47,.3,;-2.94,.75,;-3.83,-.51,;-2.9,-1.74,)|

CCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(9.61,2.88,;8.83,1.56,;7.29,1.57,;6.51,.24,;4.97,.25,;4.18,-1.08,;4.94,-2.41,;6.49,-2.42,;7.27,-1.1,;4.17,-3.74,;5.08,-4.99,;4.17,-6.25,;2.7,-5.77,;1.36,-6.54,;.03,-5.77,;.03,-4.22,;1.36,-3.45,;2.7,-4.22,;-1.3,-3.45,;-2.63,-4.22,;-2.63,-5.76,;-3.97,-3.45,;-3.99,-1.91,;-5.46,-1.46,;-6.34,-2.72,;-5.42,-3.95,)|

CCN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wU:6.9,wD:3.2,(22.56,-11.22,;21.78,-12.55,;20.24,-12.54,;19.46,-13.87,;17.92,-13.86,;17.13,-15.19,;17.89,-16.52,;19.44,-16.53,;20.22,-15.21,;17.12,-17.85,;18.03,-19.1,;17.12,-20.36,;15.65,-19.88,;14.31,-20.65,;12.98,-19.88,;12.98,-18.33,;14.31,-17.56,;15.65,-18.33,;11.65,-17.56,;10.32,-18.33,;10.32,-19.87,;8.98,-17.56,;8.96,-16.02,;7.49,-15.57,;6.61,-16.83,;7.53,-18.06,)|

CN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|

CN[C@H]1CCC[C@@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|

CCN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20|

CCN[C@H]1CCC[C@@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20|

CCOc1ccc(Cc2nc3cc(NC(N)=N[N+]([O-])=O)ccc3n2CCN(CC)CC)cc1 |w:16.16|

CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2cccs2)cc1 |w:24.25|

CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)N=C(N)c2cccs2)cc1 |w:22.23|

CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)N=C(N)c2cccs2)cc1 |w:25.27|

CCOc1ccc(Cc2nc3cc(ccc3n2C2CCN(C)CC2)N=C(N)c2cccs2)cc1 |w:24.26|

CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccco2)cc1 |w:24.25|

CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccsc2)cc1 |w:24.25|

CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccoc2)cc1 |w:24.25|

CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(C)N)cc1 |w:24.25|

CCOc1ccc(Cc2nc3ccc(cc3n2CCN(CC)CC)N=C(N)c2cccs2)cc1 |w:24.25|

CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)[N+]([O-])=O)cc1

Cn1ncc2c(cccc12)[N+]([O-])=O

Cn1cc2c(cccc2n1)[N+]([O-])=O

CCn1ncc2c(cccc12)[N+]([O-])=O

CCn1cc2c(cccc2n1)[N+]([O-])=O

Cn1ncc2c(Br)cccc12

Cn1cc2c(Br)cccc2n1

CCn1ncc2c(Br)cccc12

CCn1cc2c(Br)cccc2n1

N#Cc1cccc2[nH]ncc12

OCCNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12

N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1

OCCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12

CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc12

CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12

CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12

CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12

CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12

[H]/N=C(c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC

CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12

CC1CC(CCN1)N1CCc2cc(NC(=N)c3cccs3)ccc12

N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1

N=C(Nc1ccc2N(CCc2c1)C1CCCNC1)c1cccs1

CN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12

OCCN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12

CN1CCC(C1)N1CCc2cc(NC(=N)c3cccs3)ccc12

N=C(Nc1ccc2N(CCc2c1)C1CCNC1)c1cccs1

OCCNCCN1CCc2cc(NC(=N)c3cccs3)ccc12

N=C(Nc1ccc2N(CCc2c1)C(=O)CN1CCCC1)c1cccs1

N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1

CN(C)CCN1CCc2cc(NC(=N)c3cccs3)ccc12

CC(N)=NCCCC[C@H](N)C(=O)Nc1nnn[nH]1 |r,w:3.3|

COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(nc2)C#N)c1

COc1ccnc(CSc2nc3ncccc3[nH]2)c1

COc1ccnc(CSc2nc3ccncc3[nH]2)c1

COc1ccnc(CSc2nc3ccccc3[nH]2)c1

COc1ccnc(CSC)c1

COc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1

COc1ccnc(CCc2nc3nc(OC)ccc3[nH]2)c1

COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1

COc1ccnc(CCc2nc3nccc(OC)c3[nH]2)c1

COCCOc1ccnc2nc(CCc3cc(OC)ccn3)[nH]c12

COc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1

COc1ccnc(CCc2nc3ncc(cc3[nH]2)-c2ccccc2)c1

COc1cnc(CSC)cc1OC

COc1ccnc(CSC)c1OC

COc1ccnc(CCc2nc3nccc(C)c3[nH]2)c1

CCCCc1cnc2nc(CCc3cc(OC)ccn3)[nH]c2c1

Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C

Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C

Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN

Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN

CN1CCN(CC1)c1cc(CCc2cc(C)cc(N)n2)cc(CCc2cc(C)cc(N)n2)c1

Cc1cc(N)nc(CCc2cc(CCc3cc(C)cc(N)n3)cc(c2)N2CCNCC2)c1

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc3cccc(c3)F

Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H]3C[C@@H]3c4cccc(c4)F

Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNC2CC2c2cccc(Cl)c2)c1 |r|

Cc1cccc(c1)C1CC1NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|

NC(=Nc1ccc(CCNCCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2|

CC(=O)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1

N[C@@H](CCCNC(N)=N[N+]([O-])=O)CNc1ccccc1CC[NH3+] |r,w:8.8|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)CNCC[NH3+] |r,w:8.8|

N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H](CC[NH3+])C(N)=O |r,w:8.8|

COC(=O)[C@@H](CCCNC(N)=N[N+]([O-])=O)NC(=O)[C@H]([NH3+])Cc1ccccc1 |r,w:11.11|

CCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:6.6|

[NH3+][C@@H](CCCNC(=[NH2+])NC1CC1)C([O-])=O

Cc1cc(N)nc(COCc2cccc(CNCCc3cccc(F)c3)n2)c1

Cc1cc(N)nc(COc2cccc(NCCc3cccc(F)c3)c2)c1

Cc1cc(N)nc(COc2ccccc2-c2ccccc2OCC2CCNCC2)c1

Cc1cc(N)nc(COc2ccccc2-c2ccccc2OCc2ccncc2)c1

Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C

Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1

Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C

Cc1cc(N)nc(COCCOCc2cc(C)cc(N)n2)c1

NC(=Nc1cccc(CCNCc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:18.18,2.2|

NC(=Nc1cccc(OCCCOc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:2.2,19.19|

NC(=Nc1cccc(OCCOc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:2.2,18.18|

NC(=Nc1cccc(OCC(O)c2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:18.18,2.2|

NC(=Nc1cccc(CCc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:2.2,16.16|

NC(=Nc1cccc(Cc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:2.2,15.15|

NC(=Nc1cccc(c1)-c1cccc(c1)N=C(N)c1cccs1)c1cccs1 |w:2.2,15.16|

CCN(CCc1cccc(F)c1)Cc1cccc(c1)N=C(N)c1cccs1 |w:19.20|

NC(=Nc1cccc(CNCCc2cccc(F)c2)c1)c1cccs1 |w:2.2|

CCN(CCc1ccc(cc1)N=C(N)c1cccs1)Cc1cccc(NC(=N)c2cccs2)c1 |w:11.11|

NC(=Nc1ccc(CCNCc2cccc(c2)N=C(N)c2cccs2)cc1)c1cccs1 |w:2.2,17.17|

Nc1ccc2cc(CCNCCCc3cccc(F)c3)ccc2n1

Fc1cccc(CO[C@H]2CN[C@H](COc3cccc(NC(=N)c4cccs4)c3)C2)c1 |r|

N=C(Nc1ccc(OC[C@@H]2C[C@H](CN2)Oc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1 |r|

N=C(Nc1cccc(OC[C@@H]2C[C@H](CN2)Oc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|

Fc1cccc(COC[C@@H]2C[C@H](CN2)Oc2cccc(NC(=N)c3cccs3)c2)c1 |r|

N=C(Nc1cccc(COC[C@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|

N=C(Nc1cccc(COC[C@H]2C[C@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|

N=C(Nc1cccc(COC[C@@H]2C[C@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|

Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3

Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N

Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C

Fc1cccc(C[C@H]2C[C@@H]2NCCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(C[C@@H]2C[C@H]2NCCc2ccnc(n2)-n2ccnc2)c1

Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1

Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1

Cc1nccn1-c1nccc(CCNCCCc2cccc(F)c2)n1

Fc1cccc(CCCNCCc2ccnc(n2)-n2cncn2)c1

Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnn2)c1

Fc1cccc(CCNCCc2cncc(c2)-n2ccnc2)c1

N#Cc1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1

C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1

Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1

Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCNCc2ccnc(n2)-n2ccnc2)c1

Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1

NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O |r|

N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O

CN(C)CCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1