Compound Name

SMILES String

Brc1ccc2n(ccc2c1)-c1ccccc1C(=O)NNc1cnccn1

C(C1CC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

C(C1CC1)N1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12

C(C1CCCC1)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1

C(C1CCCCC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

C(C1CCCNC1)N(Cc1nccc2c1[nH]c1ccccc21)[C@H]1CCCc2cccnc12 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccc1)Cc1ccccc1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccn1)Cc1ccccn1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1cccnc1)Cc1cccnc1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccncc1)Cc1ccncc1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCCCC1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCNCC1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCSCC1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCCCC1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCNCC1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCSCC1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccc1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccn1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1 |r|

C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccncc1 |r|

C(CCN(Cc1nccc2c1[nH]c1ccccc21)C1CCCc2cccnc12)CNCc1ccccn1

C(CCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CNC1=NCCN1 |t:35|

C(CCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CNCC1CC1

C(CCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)CNCC1CC1 |r|

C(CCN1CCNCC1)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C(CCN1CCNCC1)CN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12

C(CN(CCNCc1ccccn1)Cc1ccc(CNCc2nc3ccccc3[nH]2)cc1)NCc1ccccn1

C(CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)C1CCNCC1 |r|

C(CN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(Cc1nc2ccccc2s1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CN1CCNCC1

C(CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1

C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN(Cc1ncccn1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|

C(CN1CCOCC1)NN(Cc1ccncn1)C1CCCc2cccnc12

C(CNCCCn1cc(CNc2nccc(NC3CCNCC3)n2)nn1)CNC1CCCCC1

C(CNCc1ccc(CNc2nc(NC3CCNCC3)c3ccccc3n2)cc1)CNC1CCCCC1

C(CNc1ccccc1)NCc1ccc(CNCCNc2ccccc2)cc1

C(Cc1ccc(CCNc2ccccc2)cc1)Nc1ccccc1

C(Cc1ccccc1)NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1

C(N(C1CCCc2cccnc12)N1CCNCC1)c1ccncn1

C(N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1)c1ccccc1

C(N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1)c1ccncc1

C(N(Cc1ccccn1)Cc1ccccc1-c1cccc(CN2CCCNCCNCCCNCC2)c1)c1ccccn1

C(N(Cc1ccccn1)Cc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1

C(N(Cc1ccccn1)Cc1ccccn1)c1ccc(cc1)-c1ccccc1CN1CCCNCCNCCCNCC1

C(N(Cc1ccccn1)Cc1ccccn1)c1ccc(cc1)-c1ncccc1CN1CCCNCCNCCCNCC1

C(N(Cc1ccccn1)Cc1ccccn1)c1ccc2c(CN3CCCNCCNCCCNCC3)cccc2c1

C(N(Cc1ccccn1)Cc1ccccn1)c1ccc2cc(CN3CCCNCCNCCCNCC3)ccc2c1

C(N(Cc1ccccn1)Cc1ccccn1)c1ccnc(c1)-c1cccc(CN2CCCNCCNCCCNCC2)c1

C(N(Cc1ccccn1)c1nc2ccccc2o1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1

C(N(Cc1cccnc1)c1nc2ccccc2o1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1

C(N(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)c1ccccc1N1CCNCC1 |r|

C(N1CCC(C1)Nc1nccc(n1)N1CCCCCC1)c1ccccc1

C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1

C(N1CCCNCCCCCNCCC1)c1ccc(CN2CCCNCCCCCNCCC2)cc1

C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1

C(N1CCCNCCNCCNCCC1)c1ccc(CN2CCCNCCNCCNCCC2)cc1

C(N1CCCNCc2cncc(CNCCC1)n2)c1ccc(CN2CCCNCc3cncc(CNCCC2)n3)cc1

C(N1CCCOCCOCCCNCC1)c1ccc(CN2CCCOCCOCCCNCC2)cc1

C(N1CCCSCCSCCCNCC1)c1ccc(CN2CCCSCCSCCCNCC2)cc1

C(N1CCNCCc2cccc(CCNCC1)n2)c1ccc(CN2CCNCCc3cccc(CCNCC2)n3)cc1

C(N1CCNCc2cccc(CNCC1)n2)c1ccc(CN2CCNCc3cccc(CNCC2)n3)cc1

C(N1CCOCC1)c1cccc(CN2CCOCC2)n1

C(NC1=NCCN1)c1ccc(CNC2=NCCN2)cc1 |t:2,14|

C(NC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C(NC1CCOCC1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|

C(NCC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)C1CCOCC1 |r|

C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)c1ccncc1 |r|

C(NCc1ccc(CN2CCCNCCNCCCNCC2)cc1)c1ccccc1

C(NCc1ccc(CNCc2ccccc2)cc1)c1ccccc1

C(NCc1ccc(CNCc2ccncc2)cc1)c1ccncc1

C(NCc1ccccc1)C1CCN(Cc2ccccc2)CC1

C(NCc1ccccn1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C(NCc1ccccn1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|

C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1

C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc23)cc1 |r|

C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r|

C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1

C(NCc1ccccn1)c1ccc(CNCc2ccccn2)cc1

C(NCc1cccnc1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C(NCc1cccnc1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|

C(NCc1cccnc1)c1ccc(CNCc2cccnc2)cc1

C(NCc1ccncc1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C(N[C@H]1CCCc2cccnc12)c1nccc2c3ccccc3n(Cc3ccccn3)c12 |r|

C(Nc1ccccc1)[C@H]1CC[C@@H](CNc2ccccc2)CC1 |r,wU:11.12,8.8,(2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;5.33,3.08,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-1.33,.77,;,1.54,)|

C(Nc1ccccc1)c1c2ccccc2c(CNc2ccccc2)c2ccccc12

C(Nc1ccccc1)c1cc(CNc2ccccc2)cc(CNc2ccccc2)c1

C(Nc1ccccc1)c1ccc(CNc2ccccc2)c2ccccc12

C(Nc1ccccc1)c1ccc(CNc2ccccc2)cc1

C(Nc1ccccc1)c1ccc(CNc2ncccn2)cc1

C(Nc1ccccc1)c1cccc(CNc2ccccc2)c1

C(Nc1ccccc1)c1ccccc1CNc1ccccc1

C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1

C(Nc1ccccn1)c1ccc(CNc2ncccn2)cc1

C(Nc1ccccn1)c1cccc(CNc2ccccn2)c1

C(Nc1cccnc1)c1ccc(CNc2cccnc2)cc1

C(Nc1ncccn1)c1ccc(CNc2ncccn2)cc1

C(Nc1ncccn1)c1ccc(COc2ccccc2)cc1

C(Nc1ncccn1)c1ccc(COc2ccccn2)cc1

C(Oc1ccccc1)c1ccc(COc2ccccc2)cc1

C(Oc1ccccn1)c1ccc(COc2ccccn2)cc1

C(SC(NC12CC3CC(CC(C3)C1)C2)=NC1CCCCC1)C1=CSC2=NCCN12 |w:14.17,t:25,28,TLB:3:4:7:11.10.9,THB:5:6:9:13.4.12,5:4:7.6.11:9,12:4:7:11.10.9,12:10:7:13.5.4|

C(SC(NC1C2CC3CC(C2)CC1C3)=NC1CCCCC1)C1=CSC2=NCCN12 |w:14.17,t:25,28,TLB:3:4:6:10.9.8,THB:4:5:8:13.12.11,4:12:6.5.10:8,11:12:6:10.9.8,11:9:6:13.4.12,(26.44,1.48,;25.15,.65,;23.78,1.35,;23.76,2.89,;25.09,3.68,;26.49,4.23,;27.99,3.81,;26.8,5.09,;26.81,6.58,;25.46,7.05,;26.5,5.83,;24.06,6.48,;24.07,4.95,;25.47,4.61,;22.44,.59,;22.43,-.95,;21.09,-1.71,;21.08,-3.24,;22.41,-4.02,;23.74,-3.26,;23.76,-1.72,;27.81,.78,;29.19,1.48,;30.28,.39,;29.57,-.98,;29.81,-2.51,;28.44,-3.21,;27.34,-2.11,;28.04,-.74,)|

C(SC(NC1CCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 |w:9.10,t:18,21|

C(SC(NC1CCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 |w:11.12,t:20,23|

C(SC(NC1CCCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 |w:12.13,t:21,24|

C(SC(NCc1ccccc1)=NC1CCCCC1)C1CSC2=NCCN12 |w:11.12,t:23|

C(SC(Nc1ccccc1)=NC1CCCCC1)C1=CSC2=NCCN12 |w:10.11,t:19,22|

C(S\C(NC1CCCC1)=N/C1CCCC1)C1=CSC2=NCCN12 |t:17,20|

C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCCN12 |t:19,22|

C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22|

C(S\C(NC1CCCCC1)=N/C1CCCCC1)c1ccccc1

C(S\C(NC1CCCCC1)=N/C1CCCCC1)c1csc2nc3ccccc3n12

C(S\C(NC1CCCCCC1)=N/C1CCCCCC1)C1=CSC2=NCCN12 |t:21,24|

C(S\C(NC1CCCCCCC1)=N/C1CCCCCCC1)C1=CSC2=NCCN12 |t:23,26|

C(Sc1ccccc1)c1ccc(CSc2ccccc2)cc1

C=CCN(C1CCN(CCC(Cn2cnc3ccccc23)c2ccccc2)CC1)C(=O)OCc1ccccc1

CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CC(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12

CC(=O)N[C@@H](CCCCNC(=O)CSC[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CS[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(N)=O |r|

CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|

CC(C)(C)C(=O)N1CCN(CCCN(Cc2nccc3c4ccccc4[nH]c23)C2CCCc3cccnc23)CC1

CC(C)(C)C1CCC(CC1)NC(SCC1=CSC2=NCCN12)=NC1CCCCC1 |w:22.25,t:15,18,(1.45,-6.95,;.12,-7.73,;-.66,-6.4,;.91,-9.05,;-1.2,-8.52,;-1.18,-10.05,;-2.49,-10.83,;-3.83,-10.09,;-3.86,-8.56,;-2.54,-7.77,;-5.15,-10.87,;-5.13,-12.4,;-3.79,-13.16,;-2.46,-12.37,;-1.11,-12.98,;.27,-12.28,;1.36,-13.37,;.66,-14.74,;.9,-16.27,;-.48,-16.98,;-1.58,-15.88,;-.87,-14.5,;-6.49,-13.17,;-6.49,-14.71,;-7.83,-15.47,;-7.85,-17.01,;-6.52,-17.79,;-5.18,-17.03,;-5.16,-15.48,)|

CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc34)ncc12 |r|

CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|

CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|

CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc34)c12 |r|

CC(C)(C)OC(=O)N1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12

CC(C)(C)OC(=O)[C@@H](N)CCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 |r|

CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2COCCc12

CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2COCCc12

CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CC(C)(C)OCc12

CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCCc12

CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CN(Cc3ccccc3)CCc12

CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CNCCc12

CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2COCCc12

CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2OCCCc12

CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(C)(C)CC1 |r|

CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(F)(F)CC1 |r|

CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|

CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1 |r|

CC(C)(CCN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CC(C)(CN)CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CC(C)(N)CCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CC(C)(NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1

CC(C)CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12 |r|

CC(C)CN1CCC2(C1)CCN(Cc1ccc(cc1)C(=O)N(Cc1ncc[nH]1)Cc1ncc[nH]1)CC2

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](C)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

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

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O |r|

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

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O |r|

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=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)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O |r|

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

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

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

CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O |r|

CC(C)C[C@@H](N=C(N)N)C(=O)Nc1ccc2n(CCCN=C(N)N)c(cc2c1)C(=O)NCCc1c[nH]c2ccccc12 |r,wD:4.4,(20.23,2.98,;20.23,1.44,;21.57,.67,;18.9,.67,;18.9,-.87,;17.57,-1.64,;16.23,-.87,;14.9,-1.64,;16.23,.67,;20.24,-1.64,;20.24,-3.18,;21.57,-.87,;22.9,-1.64,;22.9,-3.19,;24.24,-3.96,;25.57,-3.19,;27.04,-3.66,;27.52,-5.13,;26.49,-6.27,;26.97,-7.74,;25.94,-8.88,;26.41,-10.35,;25.38,-11.49,;27.92,-10.67,;27.95,-2.41,;27.04,-1.15,;25.57,-1.63,;24.23,-.87,;29.49,-2.41,;30.27,-3.74,;30.26,-1.07,;31.8,-1.07,;32.57,.26,;34.11,.26,;35.02,1.51,;36.49,1.03,;36.49,-.51,;37.62,-1.53,;37.31,-3.02,;35.85,-3.5,;34.71,-2.47,;35.03,-.98,)|

CC(C)C[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|

CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O

CC(C)C[C@H](N=C(N)N)C(=O)Nc1ccc2n(CCCN=C(N)N)c(cc2c1)C(=O)NCCc1c[nH]c2ccccc12 |r,wU:4.4,(-4.02,2.9,;-4.02,1.36,;-2.69,.59,;-5.36,.59,;-5.36,-.95,;-6.69,-1.72,;-8.02,-.95,;-9.36,-1.72,;-8.02,.59,;-4.02,-1.72,;-4.02,-3.26,;-2.69,-.95,;-1.36,-1.72,;-1.36,-3.26,;-.02,-4.03,;1.31,-3.26,;2.78,-3.74,;3.26,-5.21,;2.23,-6.35,;2.71,-7.82,;1.68,-8.96,;2.15,-10.43,;1.12,-11.57,;3.66,-10.75,;3.7,-2.49,;2.78,-1.23,;1.31,-1.71,;-.03,-.95,;5.24,-2.49,;6.01,-3.82,;6.01,-1.15,;7.55,-1.15,;8.31,.18,;9.85,.18,;10.76,1.43,;12.23,.96,;12.23,-.58,;13.36,-1.6,;13.05,-3.1,;11.59,-3.58,;10.45,-2.55,;10.77,-1.05,)|

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C\C=C\c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c23)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O

CC(C)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc34)nc3ccccc23)C1 |r|

CC(C)N1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12

CC(C)N1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

CC(C)N1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Br)n12 |r|

CC(C)N1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(CO)n12 |r|

CC(C)N1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Cl)n12 |r|

CC(C)N1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(Cl)n12 |r|

CC(C)N1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CC(C)N1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1Cl |r|

CC(C)N1CCN(Cc2c(nc3ccccn23)[C@H]2CCC[C@H](N2C)c2ncccc2C)CC1 |r|

CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc12 |r|

CC(C)N1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(C)CC1 |r|

CC(C)N1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(C)CC3)n2c1Br |r|

CC(C)N1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(C)CC3)n2c1Cl |r|

CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CC(C)N\C(SCC1=CSC2=NCCN12)=N\C(C)C |t:7,10|

CC(C)Nc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1

CC(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCC(C)c12

CC(C)OCc1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CC(C)Oc1ccc(cc1)-c1ccc2ccn(CC(=O)NCCN(C)C3CCCCC3)c2c1

CC(C)Oc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1

CC(C)[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CC(C)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

CC(C)c1ccccc1NC(=O)NCCc1ccc2CCCNc2n1

CC(C)c1cccnc1CN(CCCCN)C1CCCc2cccnc12

CC(C)c1cccnc1[C@@H]1CCC[C@@H](N1C)c1cn2c(cccc2n1)N1CCN(C)CC1 |r|

CC(C)c1cccnc1[C@@H]1CCC[C@@H](N1C)c1nc2cccc(N3CCN(C)CC3)n2c1CO |r|

CC(C)c1cccnc1[C@@H]1CCC[C@@H](N1C)c1nc2cccc(N3CCN(C)CC3)n2c1Cl |r|

CC(C)c1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1

CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)(Cn1cnc2ccccc12)c1ccccc1

CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1

CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1

CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1cnc2ccccc12)c1ccccc1

CC(N(CCCCN)Cc1ccc(C)cn1)c1ccccn1

CC(N(CCCCN)Cc1cccc(C)n1)c1ccccn1

CC(N(CCCCN)Cc1ncc(C)cc1C)c1ccccn1

CC(N(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)c1ccccn1

CC(N(CCCCN)Cc1ncccc1C(C)(C)C)c1ccccn1

CC(N(CCCCN)Cc1ncccc1C(F)(F)F)c1ccccn1

CC(N(CCCCN)Cc1ncccc1C)c1cc(C)ccn1

CC(N(CCCCN)Cc1ncccc1C)c1ccccn1

CC(N(CCCCN)Cc1ncccc1N)c1ccccn1

CC(NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1 |r|

CC(Nc1ccccc1)c1ccc(cc1)C(C)Nc1ccccc1

CC1(C)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CC1(C)CCC(CC1)NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CC1(C)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|

CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 |c:24,28|

CC1(C)CN2C(CS\C(NC3CCCCCC3)=N/C3CCCCCC3)=CSC2=N1 |c:26,30|

CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|

CC1CCCc2sc(NC(=S)Nc3ccc(OC(C)(C)C)cc3)c(C(=O)OC(C)(C)C)c12

CC1CCCc2sc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)c(C(=O)OC(C)(C)C)c12

CC1CCCc2sc(NC(=S)Nc3ccc(Oc4ccccc4)cc3)c(C(=O)OC(C)(C)C)c12

CC1CCCc2sc(NC(=S)Nc3ccc(cc3)N3CCN(C)CC3)c(C(=O)OC(C)(C)C)c12

CC1CCCc2sc(NC(=S)Nc3ccc4OC(F)(F)Oc4c3)c(C(=O)OC(C)(C)C)c12

CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)NCc3ccccc3)c12

CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)Nc3ccccc3)c12

CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c12

CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(N)=O)c12

CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(O)=O)c12

CC1CCN(Cc2cc(nc(C)n2)N2CCN(C)CC2)C1c1ccccn1

CC1COCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c12

CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)|

CCCCCCNC(SCC1=CSC2=NCCN12)=NC1CCCCC1 |w:18.20,t:10,13|

CCCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1

CCCCN(C(C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1

CCCCN(C(C1CC1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1

CCCCN(C(CC)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(C)ccc2o1

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CC(=O)NC)ccc2o1

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CC(=O)OC)ccc2o1

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(Cl)c(C)cc2o1

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(Cl)cc(C)c2o1

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(Cl)cc(Cl)c2o1

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(ccc2o1)C(=O)OC

CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1

CCCCN([C@@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 |r|

CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CC(=O)NC)ccc2o1 |r|

CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CNC(=O)NC)ccc2o1 |r|

CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(=O)N(C)C)ccc2o1 |r|

CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(=O)NC)ccc2o1 |r|

CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(C)=O)ccc2o1 |r|

CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(N)=O)ccc2o1 |r|

CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(ccc2o1)C(=O)NC |r|

CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 |r|

CCCCN(c1nc2ccccc2o1)C(C)(C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1

CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1

CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1

CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1

CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1

CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1

CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1

CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1

CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1

CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|

CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O |r|

CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r|

CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

CCCN(CCC)CCCCNCc1ccc(cc1)C(=O)N(Cc1ncc[nH]1)Cc1ncc[nH]1

CCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1

CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1

CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1

CCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1

CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1

CCCN1CCC(CC1)Nc1cc(C)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1

CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1

CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1

CCN(CC)CCCC(C)Nc1cc(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2cc(OC)ccc12

CCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

CCN(Cc1cc(nc(C)n1)N1CCN(C)CC1)C1CCCc2cccnc12

CCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 |r|

CCN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12 |r|

CCN1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12

CCN1CCN(CC1)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 |r|

CCN1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C(C)C)c(CO)n12 |r|

CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Br)n12 |r|

CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(CO)n12 |r|

CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(COC(C)C)n12 |r|

CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Cl)n12 |r|

CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(Cl)n12 |r|

CCN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CCN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C(C)C |r|

CCN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1Cl |r|

CCN1CCN(Cc2c(nc3ccccn23)[C@H]2CCC[C@H](N2C)c2ncccc2C)CC1 |r|

CCN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C(C)C |r|

CCN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(C)CC3)n2c1Br |r|

CCN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(CC3)C(C)C)n2c1Br |r|

CCNCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12

CCNCCCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 |r|

CCNc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1

CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|

CCOC(=O)NC(=S)Nc1sc2CCCC(C)c2c1C(=O)OCC

CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(N)cc2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(OC)c(OC)c2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)C(C)(C)C)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)C(F)(F)F)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)N(C)C)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccc3OC(F)(F)Oc3c2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2cccc(OC)c2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2ccccc2O)sc2CCCC(C)c12

CCOC(=O)c1c(NC(=S)Nc2cnccn2)sc2CCCC(C)c12

CCOCCN1CCN(CC1)C(=O)c1cnc(NCc2ccc(CNc3ncc(F)cn3)cc2)nc1C(F)(F)F

CCOCc1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CCOCc1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1Cl |r|

CCOCc1c(nc2cccc(N3CCN(CC)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CCOCc1c(nc2cccc(N3CCN(CC)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C(C)C |r|

CCOCc1c(nc2cccc(N3CCN(CC3)C(C)C)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CCOCc1c(nc2cccc(N3CCN(CC3)C3CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CCOc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1

CC[C@@H](O)c1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O |r|

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

CC[C@H](O)c1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CCc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

CCc1cc(NC2CCN(CC2)C(=O)CCNCCP(O)(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

CCc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1

CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1

CCc1cccc(CNCC2CCN(Cc3ccccc3OC)CC2)c1

CCc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1

CCc1nc2ccccc2n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1

CCc1nc2ccccc2n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1

CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CN(C)C(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12

CN(C)C1CCN(C1)N(Cc1ccncn1)C1CCCc2cccnc12

CN(C)C1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12

CN(C)C1CCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 |r|

CN(C)C1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

CN(C)C1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Cl)n12 |r|

CN(C)C1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(CO)n12 |r|

CN(C)C1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(Cl)n12 |r|

CN(C)C1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN(C)C1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1Cl |r|

CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc23)ncc2ccccc12 |r|

CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

CN(C)CCCNCc1ccc(Cl)c(Cl)c1

CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc23)ncc2ccccc12 |r|

CN(C)CCCc1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN(C)CCN(C)N(Cc1ccncn1)C1CCCc2cccnc12

CN(C)CCNCc1ccc(CNCCN(C)C)cc1

CN(C)Cc1ccc(CN(C)C)cc1

CN(C)[C@@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

CN(C)[C@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

CN(C1CCCCC1)C(\SCC1=CSC2=NCCN12)=N\C1CCCCC1 |t:12,15|

CN(C1CCN(CC1)C(=O)CCNCC(O)=O)c1cc(C)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

CN(CCc1ccccc1)C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1 |r|

CN(C[C@@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@@H]1Cc2c(CN1)cccc2NC1CCNCC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@@H]1Cc2c(CN1)cccc2NN1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N(C)C1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCC(N)CC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1CC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1COC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1cccc(c1)C(F)(F)F)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ccccn1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ncccn1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(Cc2ccccn2)CC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCNC(C)(C)C1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ccc(C)cn1 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ncc(C)cc1C |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ncccc1C |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cc(C)cnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2NC1CCNCC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1)cccc2N[C@H]1CC[C@H](N)CC1)[C@H]1CCCc2cccnc12 |r,wU:3.2,17.19,wD:21.23,14.15,(6.81,-26.81,;5.48,-26.03,;4.14,-26.8,;4.14,-28.34,;5.47,-29.11,;5.46,-30.65,;4.12,-31.41,;2.79,-30.64,;2.8,-29.1,;4.11,-32.95,;5.44,-33.73,;6.78,-32.96,;6.78,-31.42,;8.12,-30.66,;9.45,-31.43,;9.45,-32.97,;10.77,-33.74,;12.11,-32.98,;13.44,-33.76,;12.12,-31.44,;10.79,-30.66,;5.48,-24.49,;6.83,-23.72,;6.83,-22.17,;5.49,-21.38,;4.15,-22.16,;2.81,-21.4,;1.48,-22.17,;1.48,-23.72,;2.81,-24.49,;4.14,-23.72,)|

CN(C[C@H]1Cc2c(CN1C)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|

CN(C[C@H]1Cc2c(CN1C)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(NCCCN2CCOCC2)nc(C)n1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(NCCN2CCOCC2)nc(C)n1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(ccn1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(C)n1)N(C)CCO)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(nc(C)n1)N1CCC(CC1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(nc(C)n1)N1CCC(CC1)N1CCOCC1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(nc(C)n1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(C)n1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(nc(C)n1)N1CCN(CC1)C1CC1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(nc(C)n1)N1CCN(CC1)C1COC1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(nc(N)n1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(n1)-c1ccccc1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(n1)-c1cnn(C)c1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(n1)C(F)(F)F)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1cc(nc(n1)C1CC1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(n1)N(C)C)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(n1)N(C)CCO)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(n1)N1CCCC1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(nc(n1)N1CCOCC1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1cc(ncn1)N(C)C)C1CCCc2cccnc12

CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@@H]1CCCc2cccnc12 |r|

CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|

CN(Cc1ccc(CN(C)c2ccccc2)cc1)c1ccccc1

CN(Cc1cccc(n1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCC2)cc1

CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1

CN(Cc1ccnc(c1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1ccnc(n1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1ccncn1)C1CCCc2cccnc12

CN(Cc1nc(C)nc(N2CCN(C)CC2)c1C#N)C1CCCc2cccnc12

CN(Cc1nc(C)nc(N2CCN(C)CC2)c1F)C1CCCc2cccnc12

CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 |r|

CN(Cc1nc2ccccc2n1C1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1nc2ccccc2n1CCCN)C1CCCc2cccnc12

CN(Cc1nccc(n1)N1CCN(C)CC1)C1CCCc2cccnc12

CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc12 |r|

CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 |r|

CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12 |r|

CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc12 |r|

CN(Cc1nccc2c3ccccc3n(CCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12 |r|

CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1

CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1

CN1C2CCC1CN(C2)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Cl)n12 |r|

CN1C2CCC1CN(C2)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(CO)n12 |r|

CN1C2CCC1CN(C2)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1Cl |r|

CN1C2CCC1CN(C2)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CC2CCC(C1)N2c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Cl)n12 |r|

CN1CC2CCC(C1)N2c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(CO)n12 |r|

CN1CC2CCC(C1)N2c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1C |r|

CN1CC2CCC(C1)N2c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1Cl |r|

CN1CC2CCC(C1)N2c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCC(CC1)OCc1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCC(CC1)[C@@H](O)c1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCC(CC1)[C@H](O)c1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCCC(C1)OCc1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12

CN1CCCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 |r|

CN1CCN(C(=O)C1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1C |r|

CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12

CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|

CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1

CN1CCN(CC1)c1c(F)ccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCN(CC1)c1c(nc2ccccn12)[C@H]1CCC[C@H](N1)c1ncccc1C |r|

CN1CCN(CC1)c1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCN(CC1)c1cc(CN(CC2CC2)C2CCCc3cccnc23)nc(C)n1

CN1CCN(CC1)c1cc(CN(CCCCN)C2CCCc3cccnc23)ncn1

CN1CCN(CC1)c1cc(CN(CCCCNC(=O)OC(C)(C)C)C2CCCc3cccnc23)ncn1

CN1CCN(CC1)c1cc(CN2CCCC2c2ccccn2)nc(C)n1

CN1CCN(CC1)c1cc(CN2CCCCC2c2ccccn2)nc(C)n1

CN1CCN(CC1)c1cc(CN2CCC[C@@H]2c2ccccn2)nc(C)n1 |r|

CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2cc(C)ccn2)nc(C)n1 |r|

CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ccc(C)cn2)nc(C)n1 |r|

CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2cccc(C)n2)nc(C)n1 |r|

CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ccccn2)nc(C)n1 |r|

CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 |r|

CN1CCN(CC1)c1cc(N)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1

CN1CCN(CC1)c1ccc(N)c2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Cl)n12 |r|

CN1CCN(CC1)c1ccc(N)c2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3)c3ncccc3C)c(C)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3)c3ncccc3C)c(Cl)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3)c3ncccc3C3CC3)c(Cl)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3)c3ncccc3Cl)c(C)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3)c3ncccc3Cl)c(Cl)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C(F)(F)F)c(Cl)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Br)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(C#C)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(C)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(CO)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(COC3CC3)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Cl)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(F)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(CO)n12 |r|

CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(Cl)n12 |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@@H]1CCC[C@@H](N1)c1ncccc1Cl |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CC(=O)C[C@H](N1C)c1ncccc1C |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1C |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1C1CC1 |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1Cl |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C(F)(F)F |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C1CC1 |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1Cl |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1OC(F)(F)F |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1CCCO)c1ncccc1C |r|

CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1CCO)c1ncccc1C |r|

CN1CCN(CC1)c1nc(C)nc(CN2CCC[C@H]2c2ncccc2C)c1C#N |r|

CN1CCN(CC1)c1nc(C)nc(CN2CCC[C@H]2c2ncccc2C)c1F |r|

CN1CCN(CC11CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1Cl |r|

CN1CCN(CC1=O)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1C |r|

CN1CCN(CCCN(Cc2nccc3c4ccccc4[nH]c23)[C@H]2CCCc3cccnc23)CC1 |r|

CN1CCN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1 |r|

CN1CCN(CCCc2c(nc3ccccn23)[C@H]2CCC[C@H](N2C)c2ncccc2C)CC1 |r|

CN1CCN(Cc2c(nc3ccccn23)[C@H]2CCC[C@H](N2C)c2ncccc2C)CC1 |r|

CN1CCc2c(C1)sc(NC(=S)Nc1ccccc1)c2C(=O)OC(C)(C)C

CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc12 |r|

CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CSSC[C@H](NC(=O)CCNC(N)=N)C1=O)C(=O)NCCc1ccc(O)cc1

CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CSSC[C@H](NC(=O)CCNC(N)=N)C1=O)C(N)=O

CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|

CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|

CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|

CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|

CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|

CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|

CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2csc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|

CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|

CN1[C@H](CCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(CCc3ccccn3)cccc2n1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)-c1cccnc1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)-c1ccncc1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1C2CCC1CNC2 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CC2CCC(C1)N2 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC(F)(F)F)CC1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C1CC1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C1CCOCC1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C1COC1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN2CCCC2C1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCNC2(CC2)C1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCNCC1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(CC3)C3CC3)n2c1Br |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(CC3)C3CC3)n2c1CO |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(CC3)C3CC3)n2c1Cl |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN4CCCC4C3)n2c1Cl |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2ccccn2c1CCCN |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2ccccn2c1CCCN1CCOCC1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2ccccn2c1CN1CCOCC1 |r|

CN1[C@H](CCC[C@H]1c1ncccc1Cl)c1cn2c(cccc2n1)N1CCNC2(CC2)C1 |r|

CN1[C@H](CS)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O |r|

CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 |r,wU:29.32,wD:26.25,t:45,48,(49.48,-38.36,;48.14,-39.13,;46.81,-38.36,;46.81,-36.82,;45.47,-39.13,;44.14,-38.36,;42.81,-39.13,;41.47,-38.35,;41.48,-36.81,;40.14,-39.12,;38.81,-38.35,;37.47,-39.12,;36.14,-38.35,;34.81,-39.11,;33.47,-38.34,;32.14,-39.11,;30.81,-38.34,;29.47,-39.11,;29.47,-40.65,;28.14,-38.33,;26.8,-39.1,;25.47,-38.33,;24.14,-39.1,;24.13,-40.64,;22.8,-38.33,;21.47,-39.09,;20.14,-38.32,;20.14,-36.78,;18.81,-36,;17.48,-36.78,;17.48,-38.32,;18.81,-39.08,;16.14,-36.02,;14.81,-36.79,;13.47,-36.02,;13.47,-34.48,;14.8,-33.72,;14.8,-32.19,;13.47,-31.41,;12.14,-32.18,;12.13,-33.73,;14.81,-38.33,;13.48,-39.1,;13.49,-40.64,;12.25,-41.56,;12.73,-43.02,;14.27,-43.01,;15.52,-43.91,;16.75,-43,;18.29,-43,;17.52,-44.33,;16.28,-41.54,;14.74,-41.55,)|

CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 |r,wU:27.30,wD:24.23,t:43,46,(47.96,-8.38,;49.3,-9.15,;50.63,-8.38,;50.63,-6.84,;51.96,-9.15,;53.3,-8.38,;54.63,-9.15,;55.96,-8.38,;55.96,-6.84,;57.3,-9.15,;58.63,-8.38,;59.97,-9.15,;61.3,-8.38,;62.63,-9.15,;63.97,-8.38,;65.3,-9.15,;65.3,-10.69,;66.63,-8.38,;67.97,-9.15,;69.3,-8.38,;70.64,-9.15,;70.64,-10.69,;71.97,-8.38,;73.3,-9.15,;74.64,-8.38,;75.97,-9.15,;77.3,-8.39,;77.31,-6.85,;75.97,-6.07,;74.63,-6.84,;78.64,-6.08,;79.97,-6.86,;79.97,-8.4,;81.3,-9.17,;81.28,-10.71,;82.61,-11.49,;83.95,-10.73,;83.96,-9.19,;82.63,-8.4,;81.31,-6.09,;82.64,-6.87,;83.98,-6.1,;85.38,-6.74,;86.41,-5.6,;85.65,-4.26,;85.82,-2.73,;84.41,-2.09,;83.32,-1,;84.81,-.59,;83.38,-3.24,;84.14,-4.57,)|

CNC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCC(C)c12

CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

CNCCCc1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CNc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1

COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1

COCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

COCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1

COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|

COCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|

COCc1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

COCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1

COCc1ccc(CNc2ncccn2)cc1

COCc1cccc(CN(CCCCN)C2CCCc3cccnc23)n1

CO[C@@H](C1CCN(C)CC1)c1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CO[C@H](C1CCN(C)CC1)c1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

CO\N=C\c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1

COc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O

COc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 |r|

COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1

COc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1

COc1ccc(NC(=O)NCCc2ccc3CCCNc3n2)cc1OC

COc1ccc(NC(=S)Nc2sc3CCCC(C)c3c2C(=O)OC(C)(C)C)cc1OC

COc1ccc(NC(=S)Nc2sc3COCCc3c2C(=O)OC(C)(C)C)cc1OC

COc1ccc(NCc2ccc(CNc3ccc(OC)cc3)cc2)cc1

COc1ccc2[nH]c(CNCc3ccc(CN(CCNCc4ccccn4)CCNCc4ccccn4)cc3)nc2c1

COc1cccc(NC(=O)c2ccc(cc2)C(=O)Nc2cccc(OC)c2)c1

COc1cccc(NC(=S)Nc2sc3CCCC(C)c3c2C(=O)OC(C)(C)C)c1

COc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1

COc1cccc(NCc2ccc(CO)cc2)c1

COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12

COc1ccccc1CN1CCC(CN)CC1

COc1ccccc1CN1CCC(CNCc2cccc(C)c2)CC1

COc1ccccc1CN1CCC(CNCc2ccccc2)CC1

COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1

COc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 |r|

COc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)N1CCN(C)CC1 |r|

COc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)N1CCNC2(CC2)C1 |r|

COc1cccnc1[C@@H]1CCC[C@@H](N1)c1nc2cccc(N3CCN(C)CC3)n2c1Cl |r|

COc1cccnc1[C@@H]1CCC[C@@H](N1)c1nc2cccc(N3CCNC4(CC4)C3)n2c1Cl |r|

COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1

COc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1

COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F

CS(=O)(=O)N1CCN(CCN(Cc2nccc3c4ccccc4[nH]c23)C2CCCc3cccnc23)CC1

CSCC[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|

CSc1nnc(o1)-c1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)nc1

CSc1nnc(o1)-c1ccc(CNC(=O)c2ccccc2)nc1

CSc1nnc(o1)-c1ccc(COC(=O)Nc2ccc(cc2)[N+]([O-])=O)nc1

CSc1nnc(o1)-c1ccc(nc1C)C(F)(F)F

C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1)c1cccc2ccccc12 |r|

C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 |r|

C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)[C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O |r|

C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 |r|

C[C@@H]1CN(C)CCN1c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 |r|

C[C@@H]1CN(CCN1C)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 |r|

C[C@@H]1N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

C[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|

C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|

C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccccc1 |r|

C[C@H](N(CCCCN)C[C@H]1Cc2ccccc2CN1)c1ccc(C)cn1 |r|

C[C@H](N(CCCCN)C[C@H]1Cc2ccccc2CN1)c1ccccn1 |r|

C[C@H](N(CCCCN)C[C@H]1Cc2ccccc2CN1)c1ncccc1C |r|

C[C@H](N(CCCCN)Cc1nc2ccccc2[nH]1)c1ccccn1 |r|

C[C@H](N(CCCCN)Cc1ncccc1C)c1ccccn1 |r|

C[C@H](NC(=O)C1CCN(CC1)C(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|

C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC1(C)C)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)c1ccc(NC(N)=N)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=O)c1cccc(NC(N)=N)c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 |r|

C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r|

C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 |r|

C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 |r|

C[C@H]1CN(C)CCN1c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 |r|

C[C@H]1CN(CCN1C)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 |r|

C[C@H]1CN(C[C@@H](C)N1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

C[C@H]1CN(C[C@@H](C)N1C)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 |r|

C[C@H]1CN(C[C@@H](C)N1C)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12 |r|

C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|

C[C@H]1N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

C[C@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|

C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

C[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|

C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N |wU:105.120,91.93,76.77,33.33,130.135,13.13,wD:50.90,45.104,119.131,65.66,22.22,1.0,4.4,c:2,(13.09,-24.5,;13.54,-23.02,;15.04,-23.32,;16.6,-23.32,;18.11,-23.02,;18.56,-24.51,;17.51,-25.63,;17.96,-27.11,;16.9,-28.24,;17.34,-29.71,;19.53,-22.43,;20.82,-21.59,;21.8,-22.76,;21.9,-20.49,;23.1,-21.48,;22.85,-22.99,;24.04,-23.97,;23.79,-25.49,;24.97,-26.48,;22.76,-19.19,;23.36,-17.79,;24.83,-18.23,;23.66,-16.27,;25.2,-16.42,;25.83,-17.82,;27.37,-17.98,;28,-19.4,;27.11,-20.65,;25.56,-20.49,;27.74,-22.05,;23.66,-14.72,;23.37,-13.22,;24.48,-12.99,;22.78,-11.78,;24.14,-11.06,;25.44,-11.87,;25.39,-13.41,;26.7,-14.23,;28.05,-13.5,;29.37,-14.32,;28.11,-11.97,;26.81,-11.15,;21.92,-10.5,;20.82,-9.42,;21.59,-8.46,;19.54,-8.56,;18.12,-7.96,;16.61,-7.67,;15.07,-7.65,;13.55,-7.96,;12.13,-8.56,;10.85,-9.4,;9.75,-10.5,;8.56,-9.52,;8.89,-11.77,;7.54,-11.05,;6.46,-9.96,;5.09,-9.23,;5.04,-7.69,;6.36,-6.88,;6.3,-5.34,;7.72,-7.61,;8.31,-13.2,;8,-14.72,;6.47,-14.55,;8,-16.26,;6.47,-16.41,;5.56,-15.15,;4.04,-15.3,;3.13,-14.04,;3.76,-12.64,;5.32,-12.49,;2.88,-11.38,;8.3,-17.77,;8.89,-19.19,;8.02,-19.67,;9.74,-20.48,;8.56,-21.45,;7.12,-20.91,;6.86,-19.38,;5.42,-18.84,;4.23,-19.82,;2.78,-19.28,;4.48,-21.34,;5.91,-21.89,;10.82,-21.57,;12.12,-22.41,;11.38,-23.79,;11.41,-7.19,;9.87,-7.14,;12.22,-5.88,;11.49,-4.52,;9.95,-4.46,;9.22,-3.11,;7.68,-3.06,;6.95,-1.7,;5.42,-1.66,;4.6,-2.95,;4.69,-.29,;12.31,-3.2,;11.59,-1.85,;13.85,-3.26,;20.28,-7.19,;19.46,-5.88,;17.91,-5.93,;20.2,-4.53,;21.73,-4.48,;23.06,-5.25,;23.22,-6.77,;24.71,-7.09,;25.46,-5.77,;26.96,-5.46,;27.44,-4.02,;26.42,-2.88,;24.93,-3.19,;24.46,-4.62,;19.38,-3.22,;21.78,-.94,;22.98,-1.92,;22.04,.58,;20.85,1.56,;19.4,1.02,;18.21,2,;16.77,1.46,;15.58,2.44,;15.84,3.96,;14.13,1.9,;23.48,1.12,;23.74,2.65,;22.55,3.63,;25.42,3.47,;25.43,4.71,;26.61,2.49,;26.35,.97,;27.54,-.01,;27.3,-1.52,;28.49,-2.5,;28.23,-4.02,;29.93,-1.97,)|

C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N |wU:105.120,91.93,76.77,33.33,130.135,13.13,wD:50.90,45.104,119.131,65.66,22.22,1.0,4.4,c:2,(7.48,-22.01,;7.93,-20.52,;9.44,-20.82,;10.99,-20.82,;12.5,-20.52,;12.95,-22.01,;11.9,-23.13,;12.34,-24.62,;11.29,-25.74,;11.73,-27.21,;13.92,-19.94,;15.21,-19.1,;16.19,-20.28,;16.29,-18,;17.49,-18.98,;17.23,-20.5,;18.42,-21.48,;18.17,-22.99,;19.37,-23.99,;17.16,-16.7,;17.75,-15.29,;19.22,-15.74,;18.05,-13.78,;19.59,-13.92,;20.22,-15.32,;21.76,-15.49,;22.39,-16.91,;21.5,-18.16,;19.95,-18,;22.13,-19.56,;18.05,-12.22,;17.75,-10.72,;18.88,-10.5,;17.16,-9.29,;18.53,-8.56,;19.84,-9.38,;19.78,-10.92,;21.08,-11.73,;22.45,-11.01,;23.76,-11.83,;22.5,-9.47,;21.2,-8.66,;16.3,-8,;15.21,-6.92,;15.98,-5.97,;13.94,-6.07,;12.5,-5.46,;10.99,-5.18,;9.45,-5.16,;7.95,-5.46,;6.53,-6.06,;5.23,-6.91,;4.13,-8,;2.95,-7.02,;3.29,-9.28,;1.92,-8.56,;.85,-7.47,;-.51,-6.74,;-.56,-5.2,;.75,-4.38,;.7,-2.84,;2.11,-5.11,;2.69,-10.71,;2.39,-12.22,;.86,-12.06,;2.39,-13.76,;.85,-13.92,;-.05,-12.66,;-1.58,-12.81,;-2.47,-11.55,;-1.84,-10.15,;-.3,-10,;-2.73,-8.89,;2.69,-15.28,;3.27,-16.7,;2.41,-17.18,;4.13,-17.98,;2.95,-18.96,;1.5,-18.42,;1.26,-16.89,;-.2,-16.35,;-1.39,-17.33,;-2.84,-16.78,;-1.13,-18.84,;.3,-19.4,;5.22,-19.08,;6.51,-19.93,;5.77,-21.29,;5.79,-4.69,;4.25,-4.65,;6.6,-3.39,;5.88,-2.03,;4.34,-1.97,;3.61,-.61,;2.07,-.57,;1.35,.79,;-.2,.84,;-1.02,-.45,;-.92,2.21,;6.7,-.71,;5.98,.64,;8.24,-.77,;14.67,-4.69,;13.85,-3.39,;12.31,-3.43,;14.58,-2.04,;16.12,-1.99,;17.44,-2.76,;17.61,-4.27,;19.1,-4.6,;19.85,-3.27,;21.35,-2.97,;21.83,-1.52,;20.8,-.38,;19.32,-.7,;18.84,-2.13,;13.76,-.72,;16.18,1.55,;17.37,.57,;16.43,3.08,;15.25,4.06,;13.8,3.51,;12.6,4.49,;11.17,3.96,;9.98,4.93,;10.22,6.45,;8.52,4.4,;17.86,3.61,;18.12,5.14,;16.93,6.12,;19.8,5.98,;19.82,7.2,;20.99,4.99,;20.75,3.47,;21.94,2.49,;21.68,.97,;22.88,-.01,;22.62,-1.52,;24.32,.53,)|

C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C(/F)CN |r|

C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C(\F)CN |r|

C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C\CN |r|

C\C(CN)=C(/F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C\C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

C\C=C\c1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|

C\N=c1\scc(CS\C(NC2CCCCC2)=N/C2CCCCC2)n1C

Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1

Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl

Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc23)c1

Cc1cc(CN)c(C)cc1CN

Cc1cc(CNc2ccccc2)c(C)cc1CNc1ccccc1

Cc1cc(F)cnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 |r|

Cc1cc(NC2CCN(CC2)C(=O)CCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CC2)C(=O)CCCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CC2)C(=O)CCNCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CC2)C(=O)CCNCP(O)(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CC2)C(=O)CC[C@H](N)C(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 |r|

Cc1cc(NC2CCN(CC2)C(=O)CNCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CCC#N)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CCCCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCN(CCCCCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Cc1ccc(CN(CCCCN)C2CCCc3cccnc23)nc1

Cc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 |r|

Cc1ccc(CN2CCCNCCNCCCNCC2)cc1

Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1

Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1

Cc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1

Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1

Cc1cccc(CN(CCCCN)C2CCCc3cccnc23)n1

Cc1cccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)n1 |r|

Cc1cccc(CN(CCCCN)[C@H]2CCCc3cccnc23)n1 |r|

Cc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1

Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1

Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3)CC2)c1

Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3Cl)CC2)c1

Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1

Cc1ccccc1CN1CCC(CN)CC1

Cc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1

Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O

Cc1cccnc1CN(CCCCN)C1CCCc2cccnc12

Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 |r|

Cc1cccnc1CN(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)-c1ccccn1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)-c1cccnc1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)-c1ccncc1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)-c1ccnn1C |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)-c1cncn1C |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)N1CCNC2(CC2)C1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1nc2ccccn2c1-c1ccccn1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1nc2ccccn2c1-c1cccnc1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1)c1nc2ccccn2c1CCC#N |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1CCCCN)c1cn2ccccc2n1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1CCc1ccccn1)c1cn2ccccc2n1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1CCc1cnccn1)c1cn2ccccc2n1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1CCn1cccn1)c1cn2ccccc2n1 |r|

Cc1cccnc1[C@@H]1CCC[C@@H](N1Cc1ccccc1-n1cccn1)c1cn2ccccc2n1 |r|

Cc1cccnc1[C@H]1CCC[C@H](N1)c1nc2ccccn2c1-c1ccncc1 |r|

Cc1ccnc(CN(CCCCN)C2CCCc3cccnc23)c1

Cc1ccnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c1 |r|

Cc1ccsc1CN1CCC2(CCN(Cc3ccc(cc3)C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)C2)CC1

Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|

Cc1cnc(CN(CCCCN)C2CCCc3cccnc23)c(C)c1

Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(C)c1 |r|

Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1 |r|

Cc1cnc(CN(CCCCN)[C@H]2CCCc3cccnc23)c(C)c1 |r|

Cc1cnc2[C@H](CCCc2c1)N(CCCCN)C[C@H]1Cc2ccccc2CN1 |r|

Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1 |r|

Cl.CN(Cc1cc(ncn1)N1CCN(C)CC1)C1CCCc2cccnc12

Clc1c(nc2cccc(N3CCNC4(CC4)C3)n12)[C@H]1CCC[C@H](N1)c1ncccc1Cl |r|

Clc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

Clc1cc2CNCCCN(Cc3ccc(CN4CCCNCc5cc(Cl)cc(CNCCC4)n5)cc3)CCCNCc(c1)n2

Clc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1

Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1

Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1

Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1

Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1

Clc1ccccc1CN1CCC(CNCc2ccc3OCOc3c2)CC1

Clc1ccccc1CN1CCC(CNCc2cccc(Cl)c2Cl)CC1

Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1

Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1

Clc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1

Clc1cccnc1[C@@H]1CCC[C@@H](N1)c1cn2c(cccc2n1)N1CCNC2(CC2)C1 |r|

Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1

Cn1c(CN(CCCCN)C2CCCc3cccnc23)nnc1-c1ccccc1

Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc34)ncc12 |r|

Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12

Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|

Cn1ccc2c(NC(=O)NCCc3ccc4CCCNc4n3)cccc12

FC(F)(F)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

FC(F)(F)c1ccc(NC(=O)NCCc2ccc3CCCNc3n2)cc1

FC(F)(F)c1ccc(NC(=S)NCCc2ccc3CCCNc3n2)cc1

FC(F)(F)c1cccc(NCc2ccc(CNc3cccc(c3)C(F)(F)F)cc2)c1

FC1(F)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

FC1(F)CCC(CC1)NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

FC1(F)CCC(CC1)NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

FC1(F)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|

FC1(F)CCC(CN(C[C@H]2Cc3c(CN2)cccc3N2CCNCC2)[C@H]2CCCc3cccnc23)CC1 |r|

FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r|

FCc1ccc(CNc2ncccn2)cc1

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC[n+]1ccc(cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(c2)-[n+]2ccc(cc2)-c2cc[n+](cc2)-c2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)c2)cc1

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(c3)-[n+]3ccc(cc3)-c3cc[n+](cc3)-c3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)c3)cc2)c(=O)[nH]c1=O

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC[n+]1ccc(cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](Cc4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)c4)cc3)c2)cc1

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](Cc5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)c5)cc4)c3)cc2)c(=O)[nH]c1=O

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CCc1cc[n+](cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](Cc4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(c4)-[n+]4ccc(cc4)-c4cc[n+](cc4)-c4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)c4)cc3)c2)cc1

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](Cc5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(c5)-[n+]5ccc(cc5)-c5cc[n+](cc5)-c5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)c5)cc4)c3)cc2)c(=O)[nH]c1=O

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC[n+]1ccc(cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](Cc4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](Cc8cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)c8)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](Cc8cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)c8)cc7)c6)cc5)c4)cc3)c2)cc1

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](Cc5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](Cc9cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)c9)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](Cc9cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)c9)cc8)c7)cc6)c5)cc4)c3)cc2)c(=O)[nH]c1=O

Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1

Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|

Fc1ccc(NC(=S)Nc2sc3COCCc3c2C(=O)Nc2ccccc2)cc1

Fc1ccc(NCc2ccc(CNc3ccc(F)cc3)cc2)cc1

Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1

Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1

Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1

Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1

Fc1ccccc1NCc1ccc(CNc2ncccn2)cc1

Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1

Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl

Fc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1

Fc1nccc(NCc2ccc(CNc3ccnc(F)n3)cc2)n1

N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NC(=N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O |r|

NC(=N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(N)=N)N2C1=O |r|

NC(=N)NCCCC1CSC2CN(Cc3cccc4ccccc34)C(=O)[C@H](CCCNC(N)=N)N2C1=O |r|

NC(=N)NCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCc1ccc2ccccc2c1 |r|

NC(=N)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

NC(=N)NCCCC[C@H]1C=C[C@H](CCc2ccc3ccccc3c2)N(CCCCNC(N)=N)C1=O |r,c:9|

NC(=N)NCCCN[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCCc1ccc(O)cc1

NC(=N)NCCCN[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O

NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC=CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(=O)NCCc1ccc(O)cc1)NC(=O)CCNC(N)=N |w:13.12|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC=CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N |w:13.12|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC2CCCCC2)NC1=O |r|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCc2ccccc2)NC1=O |r|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C\C=C\c2ccccc2)NC1=O |r|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)\C=C/1 |c:53|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC1=O |r|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)\C=C/1 |c:52|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCCCC[C@H](NC(=O)CCCNC(=O)CCCCCN=[N+]=[N-])C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CS[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccc(O)cc3)NC2=O)C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O |r|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC\C=C/CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N |c:14|

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(=O)NCCc1ccc(O)cc1)NC(=O)CCNC(N)=N

NC(=N)NCCC[C@@H]1NC(=O)[C@H](C\C=C/CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N |c:13|

NC(=N)NCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 |r|

NC(=N)NCCC[C@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1

NC(=N)NCCC[C@H]1NC(=O)CCCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@H]1NC(=O)CCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@H]1NC(=O)CCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@H]1NC(=O)CCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|

NC(=N)NCCC[C@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)\C=C/[C@@H](Cc2ccc3ccccc3c2)NC1=O |c:35|

NC(=N)NCCC[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N

NC(=N)NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC1=O

NC(=N)NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)\C=C/[C@@H](Cc2ccc3ccccc3c2)NC1=O |c:35|

NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r|

NC(=O)CCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 |r|

NC(=O)CC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

NC(=O)C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|

NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

NC(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 |r|

NC(=O)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O |r|

NC(=O)NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

NC(N)=NCCCn1c(cc2cc(NC(=O)C3CCN(CC3)C(N)=N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 |(5.36,-49.95,;6.39,-48.8,;7.9,-49.12,;5.92,-47.34,;6.95,-46.19,;6.47,-44.73,;7.5,-43.58,;7.02,-42.12,;7.93,-40.86,;7.02,-39.61,;5.55,-40.09,;4.21,-39.32,;2.88,-40.09,;1.55,-39.32,;.22,-40.1,;.22,-41.64,;-1.12,-39.33,;-1.11,-37.78,;-2.44,-37.02,;-3.78,-37.78,;-3.78,-39.32,;-2.45,-40.1,;-5.11,-37,;-5.1,-35.46,;-6.44,-37.77,;2.88,-41.64,;4.22,-42.41,;5.55,-41.64,;9.47,-40.86,;10.25,-42.2,;10.24,-39.53,;11.78,-39.53,;12.55,-38.19,;14.09,-38.19,;15,-36.94,;16.47,-37.42,;16.47,-38.96,;17.6,-39.98,;17.29,-41.48,;15.83,-41.95,;14.69,-40.93,;15.01,-39.43,)|

NC(N)=NCCCn1c(cc2cc(NC(=O)CN=C(N)N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 |(26.4,-21.74,;27.43,-20.6,;28.94,-20.92,;26.95,-19.13,;27.98,-17.99,;27.51,-16.52,;28.54,-15.38,;28.06,-13.92,;28.97,-12.66,;28.06,-11.41,;26.59,-11.89,;25.25,-11.12,;23.92,-11.89,;22.59,-11.12,;21.25,-11.89,;21.25,-13.43,;19.92,-11.12,;18.59,-11.89,;17.25,-11.12,;15.92,-11.89,;17.25,-9.58,;23.92,-13.44,;25.25,-14.21,;26.59,-13.44,;30.51,-12.66,;31.28,-13.99,;31.28,-11.33,;32.82,-11.33,;33.59,-9.99,;35.13,-9.99,;36.04,-8.74,;37.51,-9.22,;37.51,-10.76,;38.64,-11.78,;38.33,-13.27,;36.86,-13.75,;35.73,-12.72,;36.05,-11.23,)|

NC(N)=NCCCn1c(cc2cc(NC(=O)[C@@H](Cc3ccccc3)N=C(N)N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 |r,wD:16.24,(26.42,-30.49,;27.45,-29.35,;28.95,-29.67,;26.97,-27.88,;28,-26.74,;27.52,-25.27,;28.55,-24.13,;28.08,-22.67,;28.99,-21.41,;28.08,-20.16,;26.6,-20.64,;25.27,-19.87,;23.94,-20.64,;22.6,-19.87,;21.27,-20.64,;21.27,-22.18,;19.94,-19.87,;19.94,-18.33,;21.27,-17.56,;22.61,-18.35,;23.94,-17.58,;23.94,-16.04,;22.6,-15.27,;21.27,-16.04,;18.6,-20.64,;17.27,-19.87,;15.94,-20.64,;17.27,-18.33,;23.94,-22.19,;25.27,-22.96,;26.6,-22.19,;30.53,-21.41,;31.3,-22.74,;31.3,-20.08,;32.84,-20.08,;33.61,-18.74,;35.15,-18.74,;36.06,-17.49,;37.52,-17.97,;37.52,-19.51,;38.66,-20.53,;38.34,-22.02,;36.88,-22.5,;35.74,-21.47,;36.06,-19.98,)|

NC(N)=NCCCn1c(cc2cc(NC(=O)[C@H](Cc3ccccc3)N=C(N)N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 |r,wU:16.24,(1.38,-29.21,;2.41,-28.07,;3.92,-28.39,;1.93,-26.6,;2.96,-25.46,;2.49,-23.99,;3.52,-22.85,;3.04,-21.38,;3.95,-20.13,;3.04,-18.87,;1.56,-19.35,;.23,-18.59,;-1.1,-19.36,;-2.43,-18.59,;-3.77,-19.36,;-3.77,-20.9,;-5.1,-18.59,;-5.1,-17.05,;-3.77,-16.28,;-2.43,-17.06,;-1.1,-16.29,;-1.1,-14.75,;-2.44,-13.98,;-3.77,-14.76,;-6.43,-19.36,;-7.77,-18.59,;-9.1,-19.36,;-7.77,-17.05,;-1.1,-20.9,;.23,-21.67,;1.57,-20.9,;5.49,-20.13,;6.26,-21.46,;6.26,-18.79,;7.8,-18.79,;8.57,-17.46,;10.11,-17.46,;11.02,-16.21,;12.48,-16.68,;12.49,-18.22,;13.62,-19.24,;13.31,-20.74,;11.84,-21.22,;10.7,-20.19,;11.02,-18.69,)|

NC(NCCCN(CCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(N)=Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)=Nc1cccc2ccccc12 |w:15.14,55.61,31.33|

NC(NCCCN(CCCCN(CCCN=C(N)Nc1ccccc1)C(N)=Nc1ccccc1)C(=N)Nc1ccccc1)=Nc1ccccc1 |w:15.14,43.46,27.28|

NC(Nc1ccc2ccccc2c1)=NCCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1 |w:13.15,22.23|

NC(Nc1ccc2ccccc2c1)=NCCCCNCCCN=C(N)Nc1ccc2ccccc2c1 |w:13.15,22.23|

NC(Nc1ccc2ccccc2c1)=NCCCN(CCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1 |w:13.15,26.27,42.46,55.61|

NC(Nc1ccc2ccccc2c1)=NCCCNCCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1 |w:13.15,26.27,42.46|

NC(Nc1ccc2ccccc2c1)=NCCCNCCCCNCCCN=C(N)Nc1ccc2ccccc2c1 |w:13.15,26.27|

NC(Nc1cccc2ccccc12)=NCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(N)=Nc1cccc2ccccc12 |w:13.15,22.23,38.42|

NC(Nc1cccc2ccccc12)=NCCCCNCCCN=C(N)Nc1cccc2ccccc12 |w:13.15,22.23|

NC(Nc1cccc2ccccc12)=NCCCNCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12 |w:13.15,26.27|

NC(Nc1cccc2ccccc12)=NCCCNCCCCNCCCN=C(N)Nc1cccc2ccccc12 |w:13.15,26.27|

NC(Nc1ccccc1)=NCCCCN(CCCN=C(N)Nc1ccccc1)C(=N)Nc1ccccc1 |w:9.10,18.18|

NC(Nc1ccccc1)=NCCCCNCCCN=C(N)Nc1ccccc1 |w:9.10,18.18|

NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CCCC1 |r,c:2|

NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

NCC1CCN(CC2CCCCC2)CC1

NCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

NCC1CCN(Cc2ccccc2Cl)CC1

NCCC1CCN(Cc2ccccc2Cl)CC1

NCCC1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

NCCCC(=O)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCCCC1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCCCCN(CC1CN(CCN1)c1ccccc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@@H]1CCc2ccccc2N1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccco1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@@H]1CN(CCN1)S(=O)(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@@H]1NCCc2ccccc12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CCc2ccccc2N1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CN(CCN1)C(=O)Nc1ccccc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CN(CCN1)C(=O)OCc1ccccc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CN(CCN1)C(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1cc2ccccc2s1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1CNCCN1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1cc(Cl)ccn1 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1cc2ccccc2cn1 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccc(Cl)cn1 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccc(F)cn1 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccc(cn1)C(F)(F)F |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccc2ccccc2n1 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccccn1 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1nccc2ccccc12 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C(F)(F)F |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C1CC1 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C=C |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1Cl |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1F |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc12 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(C[C@H]1NCCc2ccccc12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)C1CCCc2cccnc12

NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1cc2c(cn1)n(CC(O)=O)c1ccccc21)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1cccc(N)n1)C1CCCc2cccnc12

NCCCCN(Cc1ccccn1)C1CCCc2cccnc12

NCCCCN(Cc1ccccn1)Cc1nccc2c3ccccc3[nH]c12

NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c1[nH]c1ccccc21)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c1[nH]c1ccccc21)[C@@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c1[nH]c1ccccc21)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccc(F)cc3[nH]c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(N)CC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCNCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCS(=O)CC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCSCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCOCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)[I]=O)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12

NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(Cc3cccnc3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1ncccc1CO)C1CCCc2cccnc12

NCCCCN(Cc1ncccc1Cl)C1CCCc2cccnc12

NCCCCN(Cc1ncccc1N)C1CCCc2cccnc12

NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc12 |r|

NCCCCN(Cc1ncccc1O)C1CCCc2cccnc12

NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(F)cc1 |r|

NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N

NCCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc34)c12 |r|

NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|

NCCCn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc34)c12 |r|

NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCCNc1nccc(n1)N1CCCCCC1

NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r,wU:9.8,2.1,wD:19.20,5.5,(39.55,-22.51,;38.22,-21.74,;36.88,-22.51,;36.88,-24.05,;35.55,-24.82,;34.21,-24.05,;32.88,-24.83,;31.55,-24.06,;30.22,-24.84,;30.22,-26.38,;31.56,-27.14,;31.56,-28.68,;32.88,-29.45,;32.88,-30.98,;31.55,-31.75,;30.23,-30.98,;30.23,-29.45,;28.9,-28.68,;28.89,-27.15,;31.54,-22.52,;32.88,-21.74,;32.87,-20.2,;31.53,-19.43,;30.21,-20.21,;28.87,-19.45,;27.54,-20.21,;27.54,-21.77,;28.87,-22.53,;30.21,-21.75,;34.2,-22.51,;35.54,-21.74,)|

NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

NC\C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NC\C=C/CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 |r|

NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

NC\C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(F)(F)F

NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(N)=O

NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(O)=O

NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|

NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1

NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1

NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)c1 |r|

NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c1

NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCc1ccncc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|

NCc1cscc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|

NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|

NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCc1occc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

N[C@H]1CC[C@@H](CC1)N(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r,wU:9.9,1.0,wD:19.21,4.7,(37.29,-41.87,;35.96,-41.1,;34.62,-41.87,;33.29,-41.1,;33.3,-39.57,;34.62,-38.78,;35.96,-39.55,;31.96,-38.8,;30.63,-39.57,;30.63,-41.11,;31.98,-41.87,;31.97,-43.42,;33.3,-44.19,;33.3,-45.72,;31.97,-46.48,;30.64,-45.72,;30.64,-44.19,;29.31,-43.42,;29.31,-41.88,;31.96,-37.26,;33.3,-36.48,;33.29,-34.93,;31.95,-34.16,;30.62,-34.94,;29.29,-34.18,;27.96,-34.95,;27.95,-36.5,;29.29,-37.27,;30.62,-36.49,)|

N[C@H]1CC[C@@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1 |r,wU:4.4,1.0,wD:30.33,(7.49,3.33,;6.15,2.56,;6.15,1.02,;4.82,.25,;3.48,1.02,;2.15,.25,;.82,1.02,;-.52,.25,;-.52,-1.29,;.82,-2.06,;.82,-3.6,;-.52,-4.37,;-1.85,-3.6,;-3.31,-4.07,;-3.94,-5.48,;-5.47,-5.64,;-6.38,-4.4,;-5.75,-2.99,;-4.22,-2.83,;-3.31,-1.58,;-3.71,-.09,;-5.2,.3,;-6.29,-.79,;-5.6,1.79,;-4.51,2.88,;-4.91,4.37,;-6.4,4.77,;-7.49,3.68,;-7.09,2.19,;-1.85,-2.06,;.82,2.56,;2.15,3.33,;2.15,4.87,;.82,5.64,;-.52,4.87,;-1.85,5.64,;-3.18,4.87,;-3.18,3.33,;-1.85,2.56,;-.52,3.33,;3.48,2.56,;4.82,3.33,)|

N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r,wU:8.7,4.4,wD:18.19,1.0,(38.36,-4.5,;37.03,-5.27,;35.69,-4.5,;34.36,-5.28,;34.37,-6.81,;33.04,-7.59,;31.7,-6.82,;30.37,-7.6,;30.37,-9.14,;31.72,-9.9,;31.71,-11.44,;33.04,-12.21,;33.04,-13.73,;31.71,-14.5,;30.38,-13.74,;30.38,-12.21,;29.05,-11.44,;29.05,-9.91,;31.7,-5.28,;33.04,-4.51,;33.03,-2.96,;31.69,-2.19,;30.36,-2.97,;29.02,-2.21,;27.69,-2.98,;27.69,-4.53,;29.02,-5.29,;30.36,-4.52,;35.7,-7.58,;37.03,-6.81,)|

N[C@H]1CC[C@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1 |r,wU:4.4,wD:30.33,1.0,(7.49,3.33,;6.15,2.56,;4.82,3.33,;3.48,2.56,;3.48,1.02,;2.15,.25,;.82,1.02,;-.52,.25,;-.52,-1.29,;.82,-2.06,;.82,-3.6,;-.52,-4.37,;-1.85,-3.6,;-3.31,-4.07,;-3.94,-5.48,;-5.47,-5.64,;-6.38,-4.4,;-5.75,-2.99,;-4.22,-2.83,;-3.31,-1.58,;-3.71,-.09,;-5.2,.3,;-6.29,-.79,;-5.6,1.79,;-4.51,2.88,;-4.91,4.37,;-6.4,4.77,;-7.49,3.68,;-7.09,2.19,;-1.85,-2.06,;.82,2.56,;2.15,3.33,;2.15,4.87,;.82,5.64,;-.52,4.87,;-1.85,5.64,;-3.18,4.87,;-3.18,3.33,;-1.85,2.56,;-.52,3.33,;4.82,.25,;6.15,1.02,)|

N\C(NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1)=N/C(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r|

Nc1cc(nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1)N1CCN(CCCP(O)(O)=O)CC1

Nc1cc(nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1)N1CCNCC1

Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r|

O=C(CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)N1CCNCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCC3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccccn3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3cccnc3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccncc3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12)N1CCOCC1

O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)C1CCOCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCCCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 |r|

O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)NC1CCOCC1 |r|

O=C(N1CCC(CC1)NCc1ccccc1)c1ccc(nc1)-n1cccn1

O=C(NCCCNc1ccccc1)c1ccc(nc1)-n1cccn1

O=C(NCCc1ccc2CCCNc2n1)Nc1cccc2ccccc12

O=C(Nc1ccccc1)c1cc(CNc2ccccc2)cc(CNc2ccccc2)c1

O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|

O=C1N(CCCn2c3ccccc3c3ccnc(CN(CCCN4CCNC(=O)C4)[C@H]4CCCc5cccnc45)c23)C(=O)c2ccccc12 |r|

O=C1N(CCCn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc45)c23)C(=O)c2ccccc12 |r|

O=S1(=O)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r|

OC(=O)C(F)(F)F.CSc1nnc(o1)-c1ccc(CN)nc1C

OC(=O)CNCCC(=O)N1CCC(CC1)Nc1ccnc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12

OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|

OC(=O)\C=C\C(O)=O.Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1

OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2ccc3ccccc3c2)CC1

OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1

OC(=O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1

OCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|

OCCN1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12

OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12

OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|

OCc1ccc(CNc2ccc(F)cn2)cc1

OCc1ccc(CNc2ccccc2[N+]([O-])=O)cc1

OCc1ccc(CNc2ncccn2)cc1

Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1

Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1

Oc1cc(CN2CCOCC2)c(O)cc1CN1CCOCC1

Oc1cc2CNCCCN(Cc3ccc(CN4CCCNCc5cc(O)cc(CNCCC4)n5)cc3)CCCNCc(c1)n2

Oc1ccc(CN2CCC(CNCc3ccccc3)CC2)cc1

Oc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1

Oc1ccc(NCc2ccc(CNc3ccc(O)cc3)cc2)cc1

Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C2)C2CCCC2)c1

[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]

[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|

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[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C2([#6]-[#6]-[#6]-[#6]-[#6]2)[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C2([#6]-[#6]-[#7](-[#6]-[#6]2)-[#6](-[#7])=[#7])[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C2([#6]-[#6]-[#7]-[#6]-[#6]2)[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])\[#6]=[#6]\[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r,t:19|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-c1ccc2ccccc2c1 |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]=[#6]-1-[#7] |r,w:51.55|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]=[#6](-[#7])-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r,w:40.43|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]\[#6]=[#6]\[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |t:36|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]=[#6](-[#7])-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r,w:35.35|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]=[#6](-[#7])-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r,w:35.35|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]=[#6](-[#7])-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r,w:32.33|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]=[#6](-[#7])-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r,w:20.20|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]=[#6](-[#7])-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r,w:20.20|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c2ccc(F)cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)-[#7]-[#6](=O)-[#6](=O)-[#7]-c2ccc(Cl)cc2)-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c2ccc(F)cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)-[#7]-[#6](=O)-[#6](=O)-[#7]-c2ccc(Cl)cc2)-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c2ccc(F)cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)-[#7]-[#6](=O)-[#6](=O)-[#7]-c2ccc(Cl)cc2)-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-n1c(cc2cc(-[#7]-[#6](=O)-[#6]-c3ccc(-[#8])cc3)ccc12)-[#6](=O)-[#7]-c1cccc2ccccc12

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cc2cc(-[#7]-[#6](=O)-[#6]-[#6]-c3ccc(-[#8])cc3)ccc2n1-[#6]-[#6]-c1ccc2ccccc2c1

[C-]#[N+]c1ccc(NCc2ccc(CNc3ccc(cc3)C#N)cc2)cc1

[H][C@@]1([C@@H](C)CC)N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|

[H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN(C[C@H]3Cc4c(CN3)cccc4N3CCN(C)CC3)[C@]1([H])c1ncccc1CC2 |r|

[H][C@@]12CCCN1C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|

[H][C@@]12CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N |wU:109.125,37.38,80.82,134.140,17.18,69.71,26.27,58.60,wD:54.95,49.109,123.136,95.98,8.9,1.0,(22.77,-6.28,;21.15,-5.36,;22.66,-5.04,;22.82,-3.5,;21.41,-2.87,;20.38,-4.01,;19.36,-2.86,;20.41,-1.73,;18.14,-1.92,;18.96,-.61,;20.49,-.66,;21.31,.64,;22.85,.6,;23.66,1.9,;16.75,-1.24,;15.28,-.85,;15.52,.67,;13.74,-.75,;13.68,.79,;15,1.61,;14.94,3.14,;16.25,3.96,;16.19,5.51,;12.2,-.94,;10.74,-1.44,;10.11,-.03,;9.42,-2.21,;8.52,-.95,;9.16,.44,;8.25,1.69,;8.88,3.1,;8,4.35,;6.46,4.21,;8.62,5.77,;8.25,-3.22,;7.32,-4.46,;6.01,-3.64,;6.64,-5.83,;5.19,-5.29,;4.94,-3.76,;3.5,-3.22,;3.24,-1.71,;4.43,-.73,;4.19,.79,;5.88,-1.27,;6.13,-2.79,;6.23,-7.32,;6.13,-8.86,;4.6,-8.9,;6.34,-10.39,;6.83,-11.84,;7.6,-13.18,;8.62,-14.33,;9.84,-15.28,;11.22,-15.96,;12.72,-16.36,;14.25,-16.45,;14.3,-17.99,;15.77,-16.25,;16.12,-17.75,;17.59,-18.2,;17.95,-19.7,;19.43,-20.15,;19.77,-21.64,;21.25,-22.1,;18.65,-22.71,;17.23,-15.75,;18.57,-14.98,;19.47,-16.24,;19.73,-13.97,;20.85,-15.03,;20.5,-16.52,;21.63,-17.58,;21.27,-19.08,;22.4,-20.13,;22.05,-21.63,;23.88,-19.69,;20.66,-12.75,;21.34,-11.37,;22.1,-11.91,;21.75,-9.88,;23.26,-10.13,;23.81,-11.57,;22.83,-12.77,;23.38,-14.21,;24.89,-14.46,;25.44,-15.91,;25.87,-13.26,;25.32,-11.81,;21.84,-8.34,;21.64,-6.81,;23.15,-6.46,;10.67,-17.4,;9.16,-17.65,;11.65,-18.59,;11.12,-20.04,;9.59,-20.28,;9.04,-21.71,;7.53,-21.97,;6.99,-23.41,;5.47,-23.67,;4.92,-25.11,;4.49,-22.47,;12.09,-21.22,;11.55,-22.66,;13.61,-20.97,;4.84,-10.74,;4.39,-12.21,;5.45,-13.33,;2.89,-12.56,;1.82,-11.43,;.29,-11.43,;-1.2,-11.83,;-2.04,-10.53,;-1.06,-9.34,;-1.32,-7.81,;-.12,-6.83,;1.33,-7.39,;1.57,-8.92,;.36,-9.88,;2.45,-14.03,;.94,-14.38,;-.11,-13.26,;.5,-15.86,;1.54,-16.98,;3.05,-16.63,;4.08,-17.75,;5.6,-17.4,;6.64,-18.52,;8.16,-18.17,;6.2,-20,;-1,-16.21,;-1.46,-17.68,;-.4,-18.8,;-2.96,-18.03,;-3.4,-19.5,;-4.01,-16.91,;-3.56,-15.42,;-4.61,-14.31,;-4.16,-12.83,;-5.22,-11.71,;-4.77,-10.23,;-6.72,-12.05,)|

[H][C@@]12CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|

[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccc3ccccc3c1)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCC(O)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCN)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](CS)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O)C(C)C |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O)[C@@H](C)CC |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O)[C@@H](C)O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@]1([H])CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)N(C)C2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCc1ccccc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(F)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(cc1)[N+]([O-])=O)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cccc(F)c1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1F)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1csc3ccccc13)NC2=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@@]12CCCN1CCN(C2)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 |r|

[H][C@@]12CCCN1CCN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

[H][C@@]12CCN(C)[C@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

[H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|

[H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|

[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]([H])(N(C2)C#N)c1[nH]c2ccccc2c1CCn1cc(nn1)-c1cccc(Cl)c1 |r|

[H][C@@]12CN(C)C[C@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

[H][C@@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCCNC(N)=N)N1C(=O)[C@H](CCCNC(N)=N)CS2 |r|

[H][C@@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCCNC(N)=N)N1C(=O)[C@H](CCNC(N)=N)CS2 |r|

[H][C@@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N1C(=O)[C@@H](CS2)NC(=O)CNC(N)=N |r|

[H][C@@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N1C(=O)[C@H](CCCCNC(N)=N)CS2 |r|

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[H][C@]1(CC[C@H](N)CC1)N(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r,wU:10.10,1.0,wD:20.22,4.4,(50.7,-7.05,;50.7,-8.59,;52.02,-7.81,;53.36,-8.59,;53.36,-10.13,;54.7,-10.9,;52.02,-10.9,;50.7,-10.13,;49.37,-7.83,;48.04,-8.61,;48.03,-10.14,;49.38,-10.91,;49.38,-12.45,;50.7,-13.22,;50.7,-14.75,;49.37,-15.53,;48.04,-14.75,;48.05,-13.22,;46.71,-12.46,;46.71,-10.91,;49.36,-6.29,;50.7,-5.51,;50.7,-3.96,;49.35,-3.19,;48.02,-3.97,;46.68,-3.21,;45.35,-3.98,;45.35,-5.53,;46.68,-6.3,;48.02,-5.52,)|

[H][C@]12CCCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|

[H][C@]12CCCN1CCN(C2)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 |r|

[H][C@]12CCCN1CCN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

[H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1Cl |r,TLB:10:8:25:4.2.3|

[H][C@]12CCN(C)[C@@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|

[H][C@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCCNC(N)=N)N1C(=O)[C@@H](CCCNC(N)=N)CS2 |r|

[H][C@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCCNC(N)=N)N1C(=O)[C@@H](CCNC(N)=N)CS2 |r|

[H][C@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N1C(=O)[C@@H](CCCCNC(N)=N)CS2 |r|

[H][C@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N1C(=O)[C@@H](CCCNC(N)=N)CS2 |r|

[H][C@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N1C(=O)[C@@H](CCNC(N)=N)CS2 |r|

[H][C@]12CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N1C(=O)[C@H](CS2)NC(=O)CNC(N)=N |r|

[H][C@]12CN(c3cccc4CN[C@@H](CN(C)[C@H]5CCCc6cccnc56)Cc34)[C@]([H])(CN1)C2 |r|

[H][C@]12C[C@]3([H])N(C(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc4ccc(O)cc4)NC3=O)[C@@]1([H])CCCC2 |r|

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[H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-c1ccc2ccccc2c1

[H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c1ccc2ccccc2c1

[O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cnc4ccccc34)c3ccccc3)CC2)cc1

[O-][N+](=O)c1ccc(NCc2ccc(CNc3ccc(cc3)[N+]([O-])=O)cc2)cc1

[O-][N+](=O)c1cccc(NCc2ccc(CNc3cccc(c3)[N+]([O-])=O)cc2)c1

[O-][n+]1cccnc1NCc1ccc(CNc2nccc[n+]2[O-])cc1

c1ccc(cc1)-c1nc([nH]c1-c1ccccc1)-c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1