762 SMILES Strings for Furin

Compound Name
SMILES String
[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-n2cnc3ccccc3c2=O)-[#6](=O)-[#6]1
CN(C)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O |w:9.9,(3.08,3.47,;4.41,4.24,;4.41,5.78,;5.75,3.47,;7.08,4.24,;8.41,3.47,;8.41,1.93,;7.08,1.16,;5.75,1.93,;9.75,1.16,;11.08,1.93,;12.42,1.16,;12.42,-.39,;11.08,-1.16,;13.75,-1.16,;13.75,-2.7,;15.08,-3.47,;15.08,-5.01,;13.75,-5.78,;12.42,-5.01,;12.42,-3.47,;11.08,-2.7,;15.08,-.39,;16.42,-1.16,;15.08,1.16,;13.75,1.93,;13.75,3.47,)|
[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cccnc2)-[#6](=O)-[#6]1
[H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1cccc(C)c1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|
CCCOP(=O)(C(Nc1ccccc1)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Cc1cccc(c1)-n1c(O)c(C=CC=Nc2ccccc2)c(=O)[nH]c1=O |w:14.15,11.11|
CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|
[#6]-c1cccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)n1
CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1 |w:8.8|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6](-[#7])=[#7])c(F)c1 |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1F)-[#6](-[#7])=[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](\[#7])=[#7]\[#8] |r|
CC(C)[C@H](NS(=O)(=O)Cc1ccc(cc1)C(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)C[C@H](NC(=O)CNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)(C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCCC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(C)(C)C)C(N)=O |r|
CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(C)=O)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(C)=O)C(N)=O |r|
CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NN(CCCNC(N)=N)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
COc1cc(ccc1O)C(NC1=NC(=O)C(CC(=O)Nc2ccc(cc2)C(O)=O)S1)c1c(O)[nH]c(=O)[nH]c1=O |t:12|
Oc1ccccc1\C=N\NC(=N)c1nonc1NCNc1nonc1C(=N)N\N=C\c1ccccc1O
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1cccc(CNC(N)=N)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1CNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(CN)cc1 |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(N)nc1 |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(C(N)=N)c(F)c1 |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCCNC(CCCNC(N)=N)c2cn(nn2)C(C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)C(C)n1cc(nn1)C(CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |r|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]\[#6]=[#6]\[#6]\[#7]=[#6](/[#7])-[#7] |r|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
C[C@@H](O)[C@H](NN(CCCNC(N)N)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#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]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CN(CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)(C)[C@@H]1NC(=O)[C@H](CCCNC(N)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCNC(=O)CCN2CCN(CC2)CCC(=O)NCCCC[C@H](NC1=O)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:56.56,30.31,wD:19.19,8.8,4.3,(.59,-.95,;-.9,-.55,;-1.74,-2.02,;-.5,-2.04,;-1.3,.94,;-2.63,1.72,;-3.95,.94,;-5.28,1.64,;-3.95,-.62,;-2.62,-1.39,;-2.62,-2.93,;-1.29,-3.7,;-1.29,-5.24,;.05,-6.01,;.05,-7.55,;1.38,-5.24,;-5.28,-1.4,;-5.83,-2.89,;-4.97,-4.14,;-7.39,-2.89,;-8.17,-4.22,;-7.39,-5.54,;-8.17,-6.87,;-7.39,-8.27,;-8.17,-9.6,;-9.73,-9.6,;-7.39,-10.93,;-7.94,-1.48,;-9.34,-.7,;-9.34,.86,;-10.59,-1.48,;-10.59,-3.04,;-11.99,-.78,;-11.99,.78,;-10.67,1.56,;-10.67,3.12,;-9.34,3.9,;-9.42,5.46,;-10.75,6.24,;-8.09,6.24,;-8.09,7.81,;-6.76,8.59,;-6.76,10.15,;-5.44,10.93,;-4.11,10.15,;-4.11,8.59,;-5.44,7.81,;-2.78,10.93,;-1.46,10.23,;-1.46,8.66,;-2.78,7.88,;-.05,7.88,;1.2,8.66,;2.6,7.96,;2.6,6.4,;1.28,5.62,;1.28,4.06,;-.05,3.28,;.03,1.72,;1.35,.94,;2.68,3.28,;2.68,1.72,;4.01,4.06,;5.35,3.3,;6.67,4.08,;6.66,5.62,;7.99,6.4,;9.33,5.64,;9.34,4.11,;8.02,3.32,;10.66,6.41,;11.99,5.64,;10.66,7.95,)|
CC(C)(C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCNC(=O)Cc2ccc(CNC(=O)CCCC(=O)NCCCC[C@H](NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc2 |r|
NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
CSc1oc(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)-c1ccc(Cl)cc1Cl
[#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)(C)[C@H](NC(=O)[C@H](CCCONC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(C)(C)[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
[#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](\[#7])-[#7] |r|
NC(=N)N[C@H]1C[C@@H](NC(N)=N)[C@@H](C[C@@H]1Oc1ccc(NC(N)=N)cc1)Oc1ccc(NC(N)=N)cc1NC(N)=N |r|
[#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7] |r|
[#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(cn1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(cn1)\[#7]=[#6](\[#7])-[#7] |r|
[#7]\[#6](-[#7])=[#7]\[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]1-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12 |r|
[#7]\[#6](-[#7])=[#7]\[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]1-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12 |r|
[#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12)-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12 |r|
[#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](-[#7]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7] |r|
NC(=N)Nc1ccc(OCCCOc2ccc(NC(N)=N)cc2)cc1
NC(=N)Nc1ccc(OC2CCCC(C2)Oc2ccc(NC(N)=N)cc2)cc1
NC(=N)Nc1ccc(Oc2cccc(Oc3ccc(NC(N)=N)cc3)c2)cc1
NC(=N)Nc1ccc(OCCCOc2ccc(NC(N)=N)cc2NC(N)=N)c(NC(N)=N)c1
NC(=N)Nc1ccc(OC2CCCC(C2)Oc2ccc(NC(N)=N)cc2NC(N)=N)c(NC(N)=N)c1
NC(=N)Nc1ccc(Oc2cccc(Oc3ccc(NC(N)=N)cc3NC(N)=N)c2)c(NC(N)=N)c1
NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cc1)C(N)=N)Oc1ccc(cc1)C(N)=N |r|
NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cc1Cl)C(N)=N)Oc1ccc(cc1Cl)C(N)=N |r|
Cc1cc(O[C@@H]2C[C@H](Oc3ccc(C(N)=N)c(C)c3)[C@H](C[C@H]2NC(N)=N)NC(N)=N)ccc1C(N)=N |r|
NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cn1)C(N)=N)Oc1ccc(cn1)C(N)=N |r|
NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(C(N)=N)c2ccccc12)Oc1ccc(C(N)=N)c2ccccc12 |r|
NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cc1C(N)=N)C(N)=N)Oc1ccc(cc1C(N)=N)C(N)=N |r|
NC(=N)c1ccc(OC2CCCC(C2)Oc2ccc(cc2)C(N)=N)cc1
c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N
NC(=N)c1ccc(Oc2cccc(Oc3ccc(cc3)C(N)=N)c2)cc1
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5|
CC(=NNC(N)=N)c1cc(N)cc(c1)C(C)=NNC(N)=N |w:16.17,2.2|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:25.26,2.2|
NC(=N)N\N=C\c1ccc(Oc2ccc(Oc3ccc(\C=N\NC(N)=N)cc3)cc2)cc1
NC(=N)N\N=C\c1ccc(cc1)N1CCN(CC1)c1ccc(\C=N\NC(N)=N)cc1
C\C(=N/NC(N)=N)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(cc2)C(\C)=N\NC(N)=N)cc1
C\C(=N/NC(N)=N)c1ccc(OCCCOc2ccc(cc2)C(\C)=N\NC(N)=N)cc1
NC(=N)N\N=C\c1cccc(OCCCOc2cccc(\C=N\NC(N)=N)c2)c1
CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCS(C)(=O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCO)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CNC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CN1CCN(CC1)c1cnc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
CN1CCCN(CC1)c1cnc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
OC(=O)CC1CCN(Cc2cc(Oc3cnc(nc3)N3CCNCC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
CN1CCCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
OC(=O)CC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN4CCC3C4)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CC(CC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(C)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1)C(O)=O
CS(=O)(=O)CCCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
C[C@@H](O)CN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 |r|
OCCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
CC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CC(CCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1)C(O)=O
COC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)CC |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)CC |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CCCNC(=N)NC(=O)C[C@]([H])(NC2=O)C(O)=O)C(N)=O)C(=O)N[C@@]([H])([C@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
NC(=N)N\N=C\c1ccc(\C=N\NC(N)=N)cc1
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccccc1 |w:2.2|
COCCN1CCN(CC1)c1ccc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
CN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(C3)OCC(O)=O)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
CC(C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
N=C(N)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C1CCCCC1)C(=O)c1nc2ccccc2s1
N=C(N)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C1CCCCC1)C(=O)c1nc2ccccc2s1
[#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
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C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O |r|
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COc1ccc2sc(Sc3ncc(s3)[N+]([O-])=O)nc2c1
[O-][N+](=O)c1cnc(Sc2nc3ccccc3s2)s1
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[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7])cc1 |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1 |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1cccc(-[#6]-[#7])c1 |r|
CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
NC(=N)NN=Cc1ccccc1 |w:5.5|
[#7]\[#6](-[#7])=[#7]\[#7]-[#6](=O)-c1ccccc1
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:11.10,5.5|
CC(=NNC(N)=N)c1cccc(c1)C(C)=NNC(N)=N |w:2.2,15.16|
[#7]\[#6](-[#7])=[#7]\[#7]-[#6](=O)-c1cccc(c1)-[#6](=O)-[#7]\[#7]=[#6](\[#7])-[#7]
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:4.3,10.9|
[#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(cc1)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7] |w:2.2,15.16|
[#7]\[#6](-[#7])=[#7]\[#7]-[#6](=O)-c1ccc(cc1)-[#6](=O)-[#7]\[#7]=[#6](\[#7])-[#7]
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2ccccc-12 |w:4.3,8.8|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(-[#8]-c2ccc(cc2)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:2.2,20.21|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]S(=O)(=O)c2ccccc2)cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:25.27,2.2|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |r,w:27.28,2.2|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:26.27,2.2|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:27.28,2.2|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:2.2,22.23|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-c2cc(cc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:25.26,2.2,42.44,32.33|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#8]-c2cc(cc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:2.2,40.42,30.31,23.24|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#8]-c2ccccc2)cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:2.2,26.28|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cccc(-[#8]-[#6]-[#6](=O)-[#7]-c2cc(cc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:2.2,32.33,25.26|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(-[#8]-[#6]-[#6](=O)-[#7]-c2cc(cc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:31.32,24.25,2.2|
[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#8]-[#6]-[#6](=O)-[#7]-c2ccccc2)cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:2.2,26.28|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:25.34,7.7,wD:11.23,(12.4,-20.67,;13.72,-21.47,;15.07,-20.72,;13.68,-23.01,;12.34,-23.75,;12.31,-25.3,;10.96,-26.04,;10.93,-27.58,;9.58,-28.32,;8.26,-27.53,;8.29,-25.99,;6.91,-28.28,;6.89,-29.82,;8.21,-30.61,;9.63,-30.01,;10.63,-31.17,;9.84,-32.49,;10.28,-33.97,;9.23,-35.1,;7.73,-34.74,;7.29,-33.27,;8.34,-32.15,;5.6,-27.48,;4.25,-28.22,;4.22,-29.76,;2.93,-27.43,;2.96,-25.89,;4.3,-25.15,;4.33,-23.61,;5.68,-22.86,;5.71,-21.32,;4.39,-20.53,;7.06,-20.58,;1.58,-28.18,;.26,-27.38,;.29,-25.84,;-1.09,-28.13,;-2.41,-27.33,;-2.39,-25.8,;-3.7,-25,;-5.05,-25.75,;-5.08,-27.29,;-3.76,-28.08,;12.25,-28.38,;12.22,-29.91,;13.6,-27.63,;14.91,-28.42,;16.26,-27.68,;17.57,-28.48,;18.91,-27.74,;18.94,-26.2,;17.61,-25.41,;16.28,-26.15,;20.28,-25.45,;21.6,-26.24,;20.31,-23.92,)|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
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