Compound Name

SMILES String

CC(CN(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2nc(NCCc3ccc(Cl)cc3)nc(N3CCCC3)c2c1

Clc1ccc(CCNc2nc(N3CCCC3)c3ccccc3n2)cc1

NS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1

NS(=O)(=O)c1ccc(CCNc2ccnc(NCCc3ccc(Cl)cc3)n2)cc1

Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N3CCCCC3)CC2)cc1

Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(Cc3ccco3)Cc3ccncc3)CC2)cc1

Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccncc3)CC2)cc1

Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(Cc3ccncc3)Cc3c(Cl)cncc3Cl)CC2)cc1

Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CC3CCCO3)Cc3ccncc3)CC2)cc1

COCCCN(Cc1ccncc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1

CCN(Cc1ccncc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1

Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CC3CC3)Cc3ccncc3)CC2)cc1

CCN(Cc1c(Cl)cncc1Cl)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1

CCN(Cc1ccncc1Br)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1

CCN(Cc1ccccc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1

Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CCCN3CCOCC3)Cc3c(Cl)cncc3Cl)CC2)cc1

Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1

Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCCCC1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccccc1F

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccnc1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C(c1ccccc1)c1ccccc1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCN(CC1)c1ccc(cc1)C#N

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccs1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccsc1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(c1)-c1cccs1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(c1)-c1ccsc1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccc2ncccc2c1

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc2cccnc12

CN(C)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C

COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C

Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O

COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCCNCC3)c(Cl)c2=O)c1C

COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCN(C)CC3)c(Cl)c2=O)c1C

COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3C[C@H]4C[C@H]3CN4C)c(Cl)c2=O)c1C |r|

CNCCNc1cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccc(OC)nc3)c2C)c(=O)c1Cl

COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CC(C)NC(C)C3)c(Cl)c2=O)c1C

COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNC(C3)C(N)=O)c(Cl)c2=O)c1C

CNC1CCN(C1)c1cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccc(OC)nc3)c2C)c(=O)c1Cl

COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCN(CC3)C(C)=O)c(Cl)c2=O)c1C

COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C

Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1

CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:12,14,36,108,111,113,124,127,129,158,200,218,220,t:10,31,33,105,121,153,155,195,197,216|

CC(C)C1C(=O)Nc2ccc(cc2-c2nc3cc(ccc3n12)C(=O)N1CCN(CC1)c1ccc(F)cc1)N1CCC(C1)NC(C)=O

CC(C)C1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)N1CCN(CC1)c1ccc(F)cc1

CSCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CCC(O)=O)C(=O)NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(O)=O |c:12,14,36,108,111,113,124,127,129,158,200,t:10,31,33,105,121,153,155,195,197|

CC(C)C1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(ccc3n12)C(=O)N1CCN(CC1)c1ccc(F)cc1

CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCOCCOCCN)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F |r,@@:43|

CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F)N1CC[C@@H](C1)NC(C)=O |r,@:33|

CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F |r,@:42,@@:15|

CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F |r,@:16,40|

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6](/[#6])-[#6]-[#8]P([#8])(=O)[#8]P([#8])([#8])=O

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,9:11:18:14.15.16,20:11:18:14.15.16,THB:20:15:18:12.11.19,19:11:14:18.17.16,19:17:14:12.11.20|

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O |r|

N[C@H](Cc1ccc(NC(N)=N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

NC(C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1cccc(NC(N)=N)c1 |r|

NC(C1CCN(CC1)C(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

NC(=N)N[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

NC(=N)NC[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

N[C@@H](Cc1ccc(NC(N)=N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

COc1ccccc1C(=O)\C=C1/C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(10.52,-16.71,;11.85,-17.48,;13.18,-16.72,;14.51,-17.49,;15.85,-16.72,;15.85,-15.17,;14.52,-14.41,;13.19,-15.18,;11.86,-14.41,;10.52,-15.17,;11.86,-12.87,;10.53,-12.09,;9.2,-12.86,;7.87,-12.09,;7.87,-10.55,;9.2,-9.78,;9.96,-11.11,;8.42,-11.1,;10.53,-10.55,;11.87,-9.79,;11.87,-8.25,;13.21,-7.49,;13.21,-5.95,;11.88,-5.17,;10.54,-5.95,;10.54,-7.48,;13.2,-10.56,;13.19,-12.1,;14.52,-12.88,;15.86,-12.11,;15.86,-10.56,;14.53,-9.8,)|

COc1cc(CNc2cccc(c2)C(N)=N)ccc1OCc1ccccc1

CCCCS(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N

COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2sc(N)nc2c1

COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccccc1

COc1cc(CNc2ccccc2C(N)=N)ccc1OCc1ccccc1

COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccsc1

COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCCC(C)C

CCCCS(=O)(=O)Nc1cc(C)ccc1Oc1ccc(cc1)C(N)=N

CCCCS(=O)(=O)Nc1ccccc1Oc1ccc(cc1)C(N)=N

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N

Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Oc2ccc(cc2)C(N)=N)c1

COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N

COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cccc(c1)C(N)=N

Cc1ccc(c(c1)Oc2ccc3c(c2)ccnc3N)NS(=O)(=O)c4ccccc4OC

COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccc(cc1)-n1cccc1

COc1cc(CNc2ccc3c(N)nccc3c2)ccc1OCc1ccccc1

COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1cccnc1

NC(=N)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1

Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c(Oc2ccc(cc2)C(N)=N)c1

COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccccc1C(N)=N

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)CC)C(C)C)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|

Cc1sc2ncnc(Oc3ccccc3C)c2c1C

Cc1ccccc1Oc1ncnc2sccc12

Cc1sc2ncnc(Oc3ccccc3)c2c1C

Cc1sc2ncnc(Oc3cccc(C)c3)c2c1C

Cc1sc2ncnc(Oc3ccc(C)cc3)c2c1C

Cc1sc2ncnc(Oc3ccccc3F)c2c1C

Cc1sc2ncnc(Oc3cccc(F)c3)c2c1C

Cc1sc2ncnc(Oc3ccc(F)cc3)c2c1C

Cc1sc2ncnc(Oc3ccccc3C(F)(F)F)c2c1C

Cc1sc2ncnc(Oc3cccc(c3)C(F)(F)F)c2c1C

Cc1sc2ncnc(Oc3ccc(cc3)C(F)(F)F)c2c1C

Fc1ccccc1Oc1ncnc2sccc12

Cc1csc2ncnc(Oc3ccccc3F)c12

Cc1cc2c(Oc3ccccc3F)ncnc2s1

Fc1ccccc1Oc1ncnc2scc(c12)C(F)(F)F

CC(C)(C)c1cc2c(Oc3ccccc3F)ncnc2s1

CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccccc1

CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccc(F)cc1

CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(F)cc1

CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(Cl)c(Cl)c1

CCOc1ccccc1NC(=O)c2ccccc2NS(=O)(=O)C3CC3

CC(C)Oc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1

O=C(Nc1ccccc1OC1CCCC1)c1ccccc1NS(=O)(=O)C1CC1

CCCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1

FC(F)(F)COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1

O=C(Nc1ccccc1OCC1CC1)c1ccccc1NS(=O)(=O)C1CC1

CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C2CC2)c(OCC)c1

O=C(Nc1cccc2OCCOc12)c1ccccc1NS(=O)(=O)C1CC1

O=C(Nc1cccc2occc12)c1ccccc1NS(=O)(=O)C1CC1

Cc1cc2cccc(NC(=O)c3ccccc3NS(=O)(=O)C3CC3)c2o1

CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1OCC(F)(F)F

CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1

CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)CC

CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1

Cc1ccc(NS(=O)(=O)C2CC2)c(c1)C(=O)Nc1ccccc1OCC(F)(F)F

CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC

CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1

CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC

CCS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccccc1OCC(F)(F)F

CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1

FC(F)(F)COc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1

CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC

CCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccccc1OCC(F)(F)F

CCOc1ccccc1NC(=O)c1ccc(F)cc1NS(=O)(=O)C1CC1

CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1

CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC

CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1

CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC

CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1

CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC