562 SMILES Strings for Protein Mdm4

Compound Name
SMILES String
CC(C)CCC(=O)N[C@@H](CCCC(O)=O)CN([C@@H](CCCCN)CN([C@@H](CCCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1 |r|
NCCCC[C@@H](CN([C@@H](CCCCN)CN([C@@H](CCCCN)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1)NC(N)=O |r|
CC(C)CCC(=O)NC(CCC(O)=O)CN(CCCCCC1CCCCC1)C(CCCCN)CN(CCCCc1ccc(Br)cc1)C(CCC(O)=O)CN(CCCCCc1ccc(F)cc1)CCC(N)=O
CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(C)cc1)C(=O)NCCc1ccc(Br)cc1
CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(cc1)[N+]([O-])=O)C(=O)NCCc1ccc(Br)cc1
COc1ccc(CCCNC(=O)N(CCC(N)=O)CC(CCC(O)=O)N(CC(CCCCN)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCC(C)C)C(=O)NCCc2ccc(Br)cc2)cc1
CC(C)CCCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccccc1
COc1ccc(CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc2ccc(Br)cc2)C(=O)NCCc2ccc(Br)cc2)cc1
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccc(cc1)[N+]([O-])=O
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccc(Br)cc1
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCC1CCCCC1
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)Nc1ccccc1)C(=O)NCCCC1CCCCC1
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)NCC=C)C(=O)NCCCC1CCCCC1
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)NCC1CCCCC1)C(=O)NCCCC1CCCCC1
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)[C@@H]1CCCN1)C(=O)NCCCC1CCCCC1 |r|
CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)CCC1CCCCC1)C(=O)NCCCC1CCCCC1
CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCCc1ccc(F)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1)C(=O)NCCc1ccc(Br)cc1
Cc1cccc2c(C)nc(NC3=NCN(CCCN4CCOCC4)CN3)nc12 |t:11|
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
COc1cc(cc(OC)c1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
COc1ccc2N(C)C(=O)C3(Nc4ccccc4-c4nc5ccccc5n34)c2c1
Cn1nc(nc1Sc1nnc(o1)-c1ccccc1)[N+]([O-])=O
COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccccc2F)SC1 |t:12,14|
O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)c(=S)[nH]1
Oc1ccc2ccccc2c1C=NNC(=O)CN1CCCc2ccccc12 |w:12.14|
CCOC(=O)\C=C\C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
CC(C)c1cccc(O)c(=O)c1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1
CCN1C\C(=C\c2ccc(OC)c(O)c2)C(=O)\C(C1)=C\c1ccc(OC)c(O)c1
CC1(C)N(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2NC1=O
Oc1ccc(cc1)C(=O)\C=C\c1c(F)cccc1Cl
CC(N=Nc1cc(C)nc(n1)-c1ccccc1O)c1ccccc1O |w:3.3|
CCOC(=O)c1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Cc1cccn2c1nc1n(Cc3ccco3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1
COc1ccc(cc1)-c1cc2n(n1)c(C)nn(CC(=O)NCCCN1CCC(CC1)N1CCCCC1)c2=O
[O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
CC(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
COc1ccc(F)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
COc1cccc(F)c1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |(4.68,5.6,;3.91,4.26,;4.68,2.93,;6.22,2.93,;6.99,1.6,;6.22,.26,;4.68,.26,;3.91,-1.07,;3.91,1.6,;2.37,1.6,;1.46,2.84,;,2.37,;-1.46,2.84,;-2.23,4.18,;-2.37,1.6,;-1.46,.35,;,.83,;1.46,.35,;1.86,-1.14,;.77,-2.22,;3.35,-1.53,;-1.86,-1.14,;-.77,-2.22,;-1.17,-3.71,;-2.66,-4.11,;-3.06,-5.6,;-3.75,-3.02,;-3.35,-1.53,;-4.44,-.45,;-3.91,1.6,;-4.68,.26,;-6.22,.26,;-6.99,-1.07,;-6.99,1.6,;-6.22,2.93,;-4.68,2.93,;-3.91,4.26,)|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)-c1ccccc1OC(F)(F)F
COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C#N
COc1ccccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
COc1ccncc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)c(OC)n1
COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C
CNC(=O)c1ccc(OC)c(c1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NCCO
COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NC(C)C
COc1cnccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
COc1ccc(CO)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
COc1ccc(CO)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F
COc1nc(ncc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(cc1)[N+]#[C-])c1cc(Cl)c(=O)n(C)c1)N(C)C
CNc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(cc2)[N+]#[C-])c2cc(Cl)c(=O)n(C)c2)c(OC)n1
COc1nc(N)ncc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(cc1)[N+]#[C-])c1cc(Cl)c(=O)n(C)c1
COc1ccccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F)C(=O)N1CCOCC1
COc1ccccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccn1
COC[C@@H](C)n1c(nc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(OC)nc1OC |r|
COc1cc2CC(=O)N(C3CCCCC3)C(c3ccc(Cl)cc3)c2cc1OC(C)C
COc1cc2CC(=O)N(C3CCC(CC3)NC(C)=O)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)N(C)C(N)=O)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;9.34,-5.39,;9.34,-6.93,;10.67,-4.62,;10.67,-3.08,;12,-5.39,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)N3CCNC3=O)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;9.5,-6.92,;11,-7.24,;11.77,-5.91,;10.74,-4.76,;11.06,-3.26,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)N(C)C(=O)CCO)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;9.34,-5.39,;9.34,-6.93,;10.67,-4.62,;10.67,-3.08,;12,-5.39,;13.34,-4.62,;14.67,-5.39,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
CCCN(C1CCC(CC1)N1C(c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O)C(C)=O |(13.34,-4.62,;12,-5.39,;10.67,-4.62,;9.34,-5.39,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,;-1.33,-.77,;-2.67,,;-4,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;9.34,-6.93,;10.67,-7.7,;8,-7.7,)|
COc1cc2CC(=O)N(C3CCC(CC3)N(C3CCOCC3)C(C)=O)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;13.34,-4.62,;13.34,-3.08,;12,-2.31,;10.67,-3.08,;9.34,-6.93,;10.67,-7.7,;8,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)N(CCCO)C(C)=O)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(.87,15.85,;2.41,15.85,;3.18,14.52,;4.72,14.52,;5.49,13.19,;7.03,13.19,;7.8,11.85,;9.34,11.85,;7.03,10.52,;7.8,9.18,;7.03,7.85,;7.8,6.52,;9.34,6.52,;10.11,7.85,;9.34,9.18,;10.11,5.18,;11.65,5.18,;12.42,3.85,;13.96,3.85,;14.73,2.52,;9.34,3.85,;10.11,2.52,;7.8,3.85,;5.49,10.52,;4.72,9.18,;5.49,7.85,;4.72,6.52,;3.18,6.52,;2.41,5.18,;2.41,7.85,;3.18,9.18,;4.72,11.85,;3.18,11.85,;2.41,13.19,;.87,13.19,;.1,11.85,;.87,10.52,;-1.44,11.85,)|
COc1cc2CC(=O)N(C3CCC(CC3)C(C)=O)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;10.67,-4.62,;9.34,-6.93,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)C(C)(C)O)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;10.67,-6.16,;8.57,-6.72,;10.11,-4.06,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)C(O)C3CCOCC3)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;9.34,-6.93,;10.67,-4.62,;12,-5.39,;13.34,-4.62,;13.34,-3.08,;12,-2.31,;10.67,-3.08,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)C(=O)C3CCOCC3)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;10.67,-4.62,;9.34,-6.93,;8,-7.7,;8,-9.24,;9.34,-10.01,;10.67,-9.24,;10.67,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)C(=O)C3CCOCC3)[C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C |wU:23.25,(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;10.67,-4.62,;9.34,-6.93,;8,-7.7,;8,-9.24,;9.34,-10.01,;10.67,-9.24,;10.67,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)C(=O)C3CCOCC3)[C@H](c3ccc(Cl)cc3)c2cc1OC(C)C |wD:23.25,(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;10.67,-4.62,;9.34,-6.93,;8,-7.7,;8,-9.24,;9.34,-10.01,;10.67,-9.24,;10.67,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)C(C)(O)C3CCOCC3)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;8.57,-6.72,;10.11,-4.06,;10.67,-6.16,;10.67,-7.7,;12,-8.47,;13.34,-7.7,;13.34,-6.16,;12,-5.39,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
COc1cc2CC(=O)N(C3CCC(CC3)C(O)c3cccc(F)c3)C(c3ccc(Cl)cc3)c2cc1OC(C)C |(-4,-.77,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;9.34,-5.39,;10.67,-4.62,;9.34,-6.93,;8,-7.7,;8,-9.24,;9.34,-10.01,;10.67,-9.24,;12,-10.01,;10.67,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,)|
CCC(O)(C1CCC(CC1)N1C(c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O)c1cccc(F)c1 |(7.03,-6.72,;8.57,-6.72,;9.34,-5.39,;10.11,-4.06,;8,-4.62,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,;-1.33,-.77,;-2.67,,;-4,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;10.67,-6.16,;10.67,-7.7,;12,-8.47,;13.34,-7.7,;13.34,-6.16,;14.67,-5.39,;12,-5.39,)|
CCCCC(C)(O)C1CCC(CC1)N1C(c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O |(14.67,-5.39,;13.34,-6.16,;12,-5.39,;10.67,-6.16,;9.34,-5.39,;8.57,-6.72,;10.11,-4.06,;8,-4.62,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,;-1.33,-.77,;-2.67,,;-4,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,)|
CC(C)c1c2C(N(C(=O)c2nn1Cc1ccccn1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1Cc1cccnc1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCc1c[nH]cn1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)CCn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
CC(C)c1c2C(N(C(=O)c2nn1Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1Cc1cc(=O)[nH]c2c(cnn12)C#N)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCc1ccccn1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCc1c[nH]c2ccccc12)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)CCn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(F)cc1)c1cccc(Cl)c1F
CC(C)CCn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(F)c(F)c1)c1cccc(Cl)c1F
CCN1CCN(CCn2nc3C(=O)N(C(c3c2C(C)C)c2ccc(Cl)cc2)c2cccc(Cl)c2F)C1=O
CC(C)c1c2C(N(C(=O)c2nn1Cc1cc(C)nn1C)c1cccc(Cl)c1F)c1ccc(Cl)cc1
CC(C)c1c2C(N(C(=O)c2nn1Cc1ncc[nH]1)c1cccc(Cl)c1F)c1ccc(Cl)cc1
CC(C)c1c2C(N(C(=O)c2nn1Cc1nnn[nH]1)c1cccc(Cl)c1F)c1ccc(Cl)cc1
CC(C)c1c2C(N(C(=O)c2nn1CC(=O)N1CCC(O)CC1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC(=O)N1CCC(CCO)CC1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC(=O)NC1CCN(CC1)C(C)=O)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC(=O)N1CCN(CC1)C(C)=O)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC(=O)N1CCNC(=O)C1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC(=O)N1CCN(C)C(=O)C1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC1CCN(CC1)C(C)=O)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)NC(=O)N1CCC(Cn2nc3C(=O)N(C(c3c2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)CC1
CC(C)c1c2C(N(C(=O)c2nn1CC=C)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC(O)CO)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC1(O)CCN(CC1)C(C)=O)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)NC(=O)N1CCC(O)(Cn2nc3C(=O)N(C(c3c2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)CC1
CC(C)c1c2C(N(C(=O)c2nn1CCc1ccccc1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCN(C)C)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1Cc1csc(C)n1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
COCCn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
CC(C)c1c2C(N(C(=O)c2nn1Cc1ccncc1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1Cc1cscn1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
COCCn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
CC(C)c1c2C(N(C(=O)c2nn1Cc1ccccn1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CNC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
CC(C)CCn1nc2C(=O)N(C(c2c1C1CC1)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
CC(C)c1c2C(N(C(=O)c2nn1CCCO)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC(=O)N1CCCC1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC1CCCO1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCN1CCN(C)CC1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC(C)(C)O)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CCn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C
CC(C)c1c2C(N(C(=O)c2nn1CCN1CCCC1=O)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1Cc1ccccc1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1C(=O)N1CCN(C)CC1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1C(=O)N(C)c1ccccc1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
COC(=O)N1CCCC1Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
CC(C)c1c2C(N(C(=O)c2nn1CC1CCCN1C(=O)N(C)C)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CC1CCCN1C(C)=O)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCO)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1-c1ccc(cc1)C#N)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1-c1ccccc1F)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCO)c1cccc(Cl)c1F)c1ccc(Cl)cc1Cl
CNS(=O)(=O)Cc1ccc(cc1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
CC(C)c1c2C(N(C(=O)c2nn1C1CCN(C)CC1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1-c1ccc(Cl)cc1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1-c1ccc(cc1)C(N)=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCO)c1cccc(Cl)c1F)c1ccc(Cl)c(F)c1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(F)cc1)c1cccc(Cl)c1F
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(F)c(F)c1)c1cccc(Cl)c1F
CC(C)c1c2C(N(C(=O)c2nn1-c1ccncc1)c1cccc(Cl)c1F)c1ccc(Cl)cc1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(C)cc1)c1cccc(Cl)c1F
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F
CC(C)c1c2C(N(C(=O)c2nn1-c1cc(=O)n(C)c(=O)n1C)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1C1CCN(C)CC1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1C1CCOCC1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
COc1ccccc1-n1nc2C(=O)N(c3cccc(Cl)c3F)C(CC(=O)N3CCOCC3)(c2c1C(C)C)c1ccc(Cl)cc1
CC(C)c1c2C(N(C(=O)c2nn1-c1ccccc1Cl)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
CC(C)c1c2C(N(C(=O)c2nn1-c1ccc(F)cc1F)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCC#N)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCO)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1-c1ccc(cc1C)C#N)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
Cc1cc(Cl)ccc1C1N(C(=O)c2nn(CCO)c(C3CCC3)c12)c1cccc(Cl)c1F
CC(C)c1c2C(N(C(=O)c2nn1-c1cccc(c1)C#N)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1CCO)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Cc1cc(Cl)ccc1C1N(C(=O)c2nn(CCO)c(C3CC3)c12)c1cccc(Cl)c1F
COc1ccccc1-n1nc2C(=O)N(C(c2c1C1CC1)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)c(F)cc1F
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1
COC(=O)CCC1(N(C(=O)c2nn(c(C(C)C)c12)-c1ccccc1OC)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C
COc1ccccc1-n1nc2C(=O)N(c3ccc(F)c(Cl)c3)C(C)(c2c1C(C)C)c1ccc(Cl)cc1
COCCCOc1cc(Cl)ccc1C1(C)N(C(=O)c2nn(c(C(C)C)c12)-c1ccccc1OC)c1cccc(Cl)c1F
COc1ccccc1-n1nc2C(=O)N(c3ccc(F)c(Cl)c3)C(CC(O)CN3CCCC3)(c2c1C(C)C)c1ccc(Cl)cc1
CNC(=O)c1ccc(C)c(c1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(cc1)C(F)(F)F)c1cc(Cl)ccc1C
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cn1)c1ccc(F)c(Cl)c1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cn1)c1cc(Cl)ccc1C
COc1ccccc1-n1nc2C(=O)N(c3ccc(F)c(Cl)c3)C(CC(O)CO)(c2c1C(C)C)c1ccc(Cl)cc1
COc1ccccc1-n1nc2C(=O)N(c3ccc(F)c(Cl)c3)C(CCO)(c2c1C(C)C)c1ccc(Cl)cc1
CNC(=O)c1ccc(OC)c(c1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
COc1ccc(cc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NCCN1CCCC1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)cc(c1)[N+]#[C-]
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)cc(c1)C(N)=O
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)cc(NC(C)=O)c1
COc1ccc(cc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1ccc(F)c(F)c1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
CCn1cc(cc(Cl)c1=O)N1C(c2c(nn(c2C(C)C)-c2ccccc2OC)C1=O)c1ccc(Cl)cc1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)c(=O)n(C)c1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(CCO)c1
COCCn1cc(cc(Cl)c1=O)N1C(c2c(nn(c2C(C)C)-c2ccccc2OC)C1=O)c1ccc(Cl)cc1C
CCn1cc(cc(Cl)c1=O)N1C(c2c(nn(c2C(C)C)-c2ccccc2OC)C1=O)c1ccc(Cl)cc1C
CNC(=O)c1ccc(OC)c(c1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)c(=O)n(C)c1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(CCN(C)C)c1
CC(C)c1c2C(N(C(=O)c2nn1C1CC1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C
CC(C)c1c2C(N(C(=O)c2nn1C1CCC(O)CC1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C |(1.6,-3.66,;.26,-2.89,;-1.07,-3.66,;.26,-1.35,;-.98,-.44,;-2.52,-.44,;-3,1.02,;-1.75,1.93,;-1.75,3.47,;-.51,1.02,;1.03,1.02,;1.51,-.44,;3,-.84,;3.4,-2.33,;4.88,-2.73,;5.97,-1.64,;7.46,-2.03,;5.57,-.15,;4.09,.25,;-4.49,1.42,;-5.57,.33,;-7.06,.73,;-7.46,2.22,;-6.37,3.31,;-6.77,4.8,;-4.88,2.91,;-3.79,4,;-3.61,-1.53,;-3.21,-3.02,;-4.3,-4.11,;-5.79,-3.71,;-6.88,-4.8,;-6.19,-2.22,;-5.1,-1.13,;-5.87,.2,)|
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1ccnc(Cl)c1
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ncc1OC
COc1ccncc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cccc(Cl)c1F
COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1OCc1nn[nH]n1
COc1ccc(cc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C#N
COc1ccc(CN)cc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
CC(C)c1c2[C@@H](N(C(=O)c2nn1CCO)c1cccc(Cl)c1F)c1ccc(Cl)cc1C |r|
CC(C)c1c2[C@H](N(C(=O)c2nn1CCO)c1cccc(Cl)c1F)c1ccc(Cl)cc1C |r|
COc1ccccc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r|
COc1ccccc1-n1nc2C(=O)N([C@@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r|
COc1ccccc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C |r|
COc1ccccc1-n1nc2C(=O)N([C@@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C)c1ccc(Cl)cc1N(C)C |r|
CCOc1cc2CC(=O)N(C(c3ccc(Cl)cc3)c2cc1OCC)c1ccc(C)cc1OCCCN1CCOCC1
CCOc1cc2CC(=O)N(C(c3ccc(Cl)cc3)c2cc1OCC)c1ccc(C)cc1OCc1nn[nH]n1
COc1ccc(cc1)N1C(c2ccc(Cl)cc2)c2cc(OC)c(OC)cc2NC1=O
CCOc1cc2CC(=O)N(C(c3ccc(Cl)cc3)c2cc1O[C@H](C)CC)c1ccc(OC)cc1 |r|
CCCOc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(OC)cc1)c1ccc(Cl)cc1
COc1cc2CC(=O)N(C(c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C
CC(C)Nc1ccc2CC(=O)N(C(c3ccc(Cl)cc3)c2c1)c1ccc(cc1)N(C)Cc1ccncc1
CCC(=O)Nc1ccc2CC(=O)N(C(c3ccc(Cl)cc3)c2c1)c1ccc(cc1)N(C)Cc1ccncc1
CCCN(C(C)C)c1ccc2CC(=O)N(C(c3ccc(Cl)cc3)c2c1)c1ccc(cc1)N(C)Cc1ccncc1
CC(C)N(CCN(C)C)c1ccc2CC(=O)N(C(c3ccc(Cl)cc3)c2c1)c1ccc(cc1)N(C)Cc1ccncc1
CC(C)N(CCNC(C)=O)c1ccc2CC(=O)N(C(c3ccc(Cl)cc3)c2c1)c1ccc(cc1)N(C)Cc1ccncc1
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)-c1cn[nH]c1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(=O)N(C)CC)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(CO)cc1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)Cc1ccncc1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)CC1CCCNC1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)CC1CCCN(C)C1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)CC1CCNCC1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)CC1CCN(CC1)C(C)=O)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)CC1CCN(CC1)C(=O)N(C)C)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@H](N)CC1)c1ccc(Cl)cc1 |r,wU:27.29,wD:2.2,30.33,(9.34,1.54,;8,.77,;6.67,1.54,;6.67,3.08,;5.33,.77,;4,1.54,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;5.33,3.85,;5.33,5.39,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-8,3.85,;-8,5.39,;-6.67,3.08,;-6.67,1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-3.08,;1.33,-1.54,)|
CCN[C@H]1CC[C@H](CN(C)c2ccc(cc2)N2C(c3ccc(Cl)cc3)c3cc(O[C@H](C)CC)c(OC)cc3CC2=O)CC1 |r,wU:6.6,wD:29.31,3.2,(-6.67,6.54,;-6.67,5,;-8,4.23,;-8,2.69,;-9.34,1.92,;-9.34,.38,;-8,-.39,;-8,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-1.93,;-5.33,-.39,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-4,-2.7,;-1.33,.38,;,-.38,;,-1.92,;-1.33,-2.7,;-1.33,-4.24,;,-5,;,-6.54,;1.33,-4.24,;1.33,-2.7,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.39,;6.67,.38,;6.67,1.92,;8,-.39,;9.34,.38,;4,1.92,;5.33,2.7,;5.33,4.24,;2.67,2.69,;1.33,1.92,;,2.69,;-1.33,1.92,;-2.67,2.7,;-6.67,.38,;-6.67,1.92,)|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)CC)c1ccc(Cl)cc1 |r,wU:27.29,wD:30.36,2.2,(9.34,.38,;8,-.38,;6.67,.38,;6.67,1.93,;5.33,-.38,;4,.38,;2.67,-.38,;1.33,.38,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;,2.69,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-8,-1.93,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,;-6.67,.38,;-8,4.23,;-9.34,5,;-6.67,5,;-6.67,6.54,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;,-5,;,-6.54,;1.33,-4.23,;1.33,-2.69,)|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N1CCCC1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N1CCOCC1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)O)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N(CC)C(=O)C1CCN(CC1)C(C)=O)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N(CC)C(=O)C1CCNCC1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)NC1CCNCC1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N(C1CCNCC1)C(C)=O)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N(C)C1CCNCC1)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N(C)[C@@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wD:31.37,28.30,2.2,(9.34,1.15,;8,.38,;6.67,1.15,;6.67,2.69,;5.33,.38,;4,1.15,;2.67,.38,;1.33,1.15,;,.38,;-1.33,1.15,;-1.33,2.69,;-2.67,3.47,;,3.47,;1.33,2.69,;2.67,3.47,;4,2.69,;5.33,3.47,;5.33,5,;-2.67,.38,;-2.67,-1.15,;-4,-1.93,;-5.33,-1.15,;-5.33,.38,;-4,1.15,;-6.67,-1.93,;-6.67,-3.47,;-8,-1.15,;-9.34,-1.93,;-8,.38,;-9.34,1.15,;-9.34,2.69,;-8,3.47,;-6.67,2.69,;-6.67,1.15,;-8,5,;-9.34,5.78,;-6.67,5.78,;,-1.15,;-1.33,-1.93,;-1.33,-3.47,;,-4.23,;,-5.78,;1.33,-3.47,;1.33,-1.93,)|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N([C@@H]1CC[C@@H](CC1)N(C)C)C(C)=O)c1ccc(Cl)cc1 |r,wD:30.36,27.29,2.2,(10,1.15,;8.67,.38,;7.34,1.15,;7.34,2.69,;6,.38,;4.67,1.15,;3.33,.38,;2,1.15,;.67,.38,;-.67,1.15,;-.67,2.69,;-2,3.47,;.67,3.47,;2,2.69,;3.33,3.47,;4.67,2.69,;6,3.47,;6,5,;-2,.38,;-2,-1.15,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-6,-1.93,;-6,-3.47,;-7.34,-1.15,;-7.34,.38,;-8.67,1.15,;-8.67,2.69,;-7.34,3.47,;-6,2.69,;-6,1.15,;-7.34,5,;-8.67,5.78,;-6,5.78,;-8.67,-1.93,;-10,-1.15,;-8.67,-3.46,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,)|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N[C@H]1CC[C@H](N)CC1)c1ccc(Cl)cc1 |r,wU:27.29,wD:30.33,2.2,(9.34,1.54,;8,.77,;6.67,1.54,;6.67,3.08,;5.33,.77,;4,1.54,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;5.33,3.85,;5.33,5.39,;-2.67,.77,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-4,1.54,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-8,3.85,;-8,5.39,;-6.67,3.08,;-6.67,1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-3.08,;1.33,-1.54,)|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N1CCC(CC1)N(C)C)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N1CCC(CC1)N(C)C(C)C)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N1CCC(CC1)NC(C)=O)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N1CCN(CC1)C(C)=O)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)N1CCOCC1=O)c1ccc(Cl)cc1 |r|
CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wU:30.36,wD:8.39,2.2,27.29,(9.34,7.63,;8,6.86,;6.67,7.63,;6.67,9.17,;5.33,6.86,;4,7.63,;2.67,6.86,;1.33,7.63,;,6.86,;-1.33,7.63,;-1.33,9.17,;-2.67,9.94,;,9.94,;1.33,9.17,;2.67,9.94,;4,9.17,;5.33,9.94,;5.33,11.48,;-2.67,6.86,;-2.67,5.32,;-4,4.55,;-5.33,5.32,;-5.33,6.86,;-4,7.63,;-6.67,4.55,;-6.67,3.01,;-8,5.32,;-8,6.86,;-6.67,7.63,;-6.67,9.17,;-8,9.94,;-9.34,9.17,;-9.34,7.63,;-8,11.48,;-9.34,12.25,;-6.67,12.25,;,5.32,;-1.33,4.55,;-1.33,3.01,;,2.24,;,.7,;1.33,3.01,;1.33,4.55,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C |r,wU:36.43,wD:9.9,33.36,(6,5,;6,3.46,;4.67,2.69,;3.33,3.46,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,;-.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;-2,.38,;-2,-1.16,;-3.33,-1.93,;-4.67,-1.16,;-4.67,.38,;-3.33,1.15,;-6,-1.93,;-6,-3.47,;-7.34,-1.16,;-7.34,.38,;-6,1.15,;-6,2.69,;-7.34,3.46,;-8.67,2.69,;-8.67,1.15,;-7.34,5,;-8.67,5.77,;-6,5.77,)|
CCN(C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(cc1)N1[C@@H](c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O |r,wU:7.10,wD:20.22,4.3,(-7.34,-4.24,;-6,-3.47,;-6,-1.93,;-7.34,-1.16,;-7.34,.38,;-6,1.15,;-6,2.69,;-7.34,3.46,;-8.67,2.69,;-8.67,1.15,;-7.34,5,;-8.67,5.77,;-6,5.77,;-4.67,-1.16,;-3.33,-1.93,;-2,-1.16,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;4.67,2.69,;6,3.46,;6,5,;3.33,3.46,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:36.43,wD:9.9,33.36,(6.67,4.34,;6.67,2.8,;5.33,2.03,;4,2.8,;2.67,2.03,;1.33,2.8,;,2.03,;-1.33,2.8,;,.49,;1.33,-.28,;1.33,-1.82,;,-2.59,;,-4.13,;1.33,-4.9,;1.33,-6.44,;2.67,-4.13,;2.67,-2.59,;2.67,.49,;4,-.28,;5.33,.49,;6.67,-.28,;8,.49,;9.34,-.28,;8,2.03,;-1.33,-.28,;-1.33,-1.82,;-2.67,-2.59,;-4,-1.82,;-4,-.28,;-2.67,.49,;-5.33,-2.59,;-5.33,-4.13,;-6.67,-1.82,;-6.67,-.28,;-5.33,.49,;-5.33,2.03,;-6.67,2.8,;-8,2.03,;-8,.49,;-6.67,4.34,;-8,5.11,;-9.34,4.34,;-8.77,6.44,;-7.23,6.44,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)c1cocn1 |r,wU:36.43,wD:9.9,33.36,(7.84,4.23,;7.84,2.69,;6.51,1.92,;5.18,2.69,;3.84,1.92,;2.51,2.69,;1.18,1.92,;-.16,2.69,;1.18,.38,;2.51,-.38,;2.51,-1.92,;1.18,-2.69,;1.18,-4.23,;2.51,-5.01,;2.51,-6.54,;3.84,-4.23,;3.84,-2.69,;3.84,.38,;5.18,-.38,;6.51,.38,;7.84,-.38,;9.18,.38,;10.51,-.38,;9.18,1.92,;-.16,-.38,;-1.49,.38,;-2.82,-.38,;-2.82,-1.92,;-1.49,-2.69,;-.16,-1.92,;-4.16,-2.69,;-4.16,-4.23,;-5.49,-1.92,;-5.49,-.38,;-4.16,.38,;-4.16,1.92,;-5.49,2.69,;-6.83,1.92,;-6.83,.38,;-5.49,4.23,;-6.81,5.01,;-6.8,6.54,;-8.14,4.23,;-8.14,2.69,;-9.61,2.22,;-10.51,3.47,;-9.61,4.71,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6,3.85,;6,2.31,;4.67,1.54,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-.67,-4.62,;.67,-5.39,;.67,-6.93,;2,-4.62,;2,-3.08,;2,,;3.33,-.77,;4.67,,;6,-.77,;7.34,,;8.67,-.77,;7.34,1.54,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-2,-2.31,;-6,-3.08,;-6,-4.62,;-7.34,-2.31,;-7.34,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,3.85,;-8.67,4.62,;-8.67,6.16,;-7.34,6.93,;-6,6.16,;-4.67,6.93,;-6,4.62,)|
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COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:36.43,wD:9.9,33.36,(6,3.85,;6,2.31,;4.67,1.54,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-.67,-4.62,;.67,-5.39,;.67,-6.93,;2,-4.62,;2,-3.08,;2,,;3.33,-.77,;4.67,,;6,-.77,;7.34,,;8.67,-.77,;7.34,1.54,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-2,-2.31,;-6,-3.08,;-6,-4.62,;-7.34,-2.31,;-7.34,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,3.85,;-6,4.62,;-6,6.16,;-7.34,6.93,;-8.67,6.16,;-8.65,4.62,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CC(=O)NCC1=O |r,wU:36.43,wD:9.9,33.36,(6.67,3.85,;6.67,2.31,;5.34,1.54,;4,2.31,;2.67,1.54,;1.34,2.31,;0,1.54,;-1.33,2.31,;0,,;1.34,-.77,;1.34,-2.31,;0,-3.08,;0,-4.62,;1.34,-5.39,;1.34,-6.93,;2.67,-4.62,;2.67,-3.08,;2.67,,;4,-.77,;5.34,,;6.67,-.77,;8,,;9.34,-.77,;8,1.54,;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-2.31,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-8,,;-6.67,3.85,;-7.98,4.62,;-8,6.16,;-9.34,6.92,;-6.67,6.93,;-5.33,6.16,;-5.33,4.62,;-4,3.85,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(CC(N)=O)CC(N)=O |r,wU:36.43,wD:9.9,33.36,(7.33,3.85,;7.33,2.31,;5.99,1.54,;4.66,2.31,;3.33,1.54,;1.99,2.31,;.66,1.54,;-.68,2.31,;.66,,;1.99,-.77,;1.99,-2.31,;.66,-3.08,;.66,-4.62,;1.99,-5.39,;1.99,-6.93,;3.33,-4.62,;3.33,-3.08,;3.33,,;4.66,-.77,;5.99,,;7.33,-.77,;8.66,,;9.99,-.77,;8.66,1.54,;-.68,-.77,;-2.01,,;-3.34,-.77,;-3.34,-2.31,;-2.01,-3.08,;-.68,-2.31,;-4.68,-3.08,;-4.68,-4.62,;-6.01,-2.31,;-6.01,-.77,;-4.68,,;-4.68,1.54,;-6.01,2.31,;-7.34,1.54,;-7.34,,;-6.01,3.85,;-4.68,4.62,;-4.68,6.16,;-3.34,6.93,;-6.01,6.93,;-7.33,4.62,;-8.66,3.85,;-9.99,4.62,;-8.66,2.31,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCCNC(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6.94,3.45,;6.94,1.91,;5.61,1.14,;4.28,1.91,;2.94,1.14,;1.61,1.91,;.28,1.14,;-1.06,1.91,;.28,-.4,;1.61,-1.17,;1.61,-2.71,;.28,-3.48,;.28,-5.02,;1.61,-5.79,;1.61,-7.33,;2.94,-5.02,;2.94,-3.48,;2.94,-.4,;4.28,-1.17,;5.61,-.4,;6.94,-1.17,;8.28,-.4,;9.61,-1.17,;8.28,1.14,;-1.06,-1.17,;-2.39,-.4,;-3.73,-1.17,;-3.73,-2.71,;-2.39,-3.48,;-1.06,-2.71,;-5.06,-3.48,;-5.06,-5.02,;-6.39,-2.71,;-6.39,-1.17,;-5.06,-.4,;-5.06,1.14,;-6.39,1.91,;-7.73,1.14,;-7.73,-.4,;-6.39,3.45,;-5.01,4.12,;-4.66,5.62,;-5.62,6.82,;-7.18,7.33,;-8.12,5.62,;-9.61,6.02,;-7.78,4.12,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)[C@H](C)N1CCS(=O)(=O)CC1 |r|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)[C@H](C)N1CCN(CC1)C(C)=O |r|
CNC(=O)[C@H]1CCCN1[C@@H](C)c1ccc(cc1)N1[C@@H](c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O |r|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)C(C)CN1CCC(CC1)N(C)C |r|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)C(C)C(=O)N1CCC(CC1)N(C)C |r|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(Cn2ccnc2)cc1 |r|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1OC)N(C)C[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:35.38,wD:9.9,38.45,(8.67,1.54,;7.34,2.31,;6,1.54,;4.67,2.31,;3.33,1.54,;2,2.31,;.67,1.54,;-.67,2.31,;.67,,;2,-.77,;2,-2.31,;.67,-3.08,;.67,-4.62,;2,-5.39,;2,-6.93,;3.33,-4.62,;3.33,-3.08,;3.33,,;4.67,-.77,;6,,;7.34,-.77,;7.34,-2.31,;8.67,-3.08,;6,-3.08,;-.67,-.77,;-.67,-2.31,;-2,-3.08,;-3.33,-2.31,;-3.33,-.77,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,-3.08,;-4.67,-4.62,;-6,-2.31,;-6,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,3.85,;-4.67,4.62,;-4.67,6.16,;-6,6.93,;-7.34,6.16,;-8.67,6.93,;-7.34,4.62,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.11,1.23,;6.77,2,;5.44,1.23,;4.1,2,;2.77,1.23,;1.44,2,;.1,1.23,;-1.23,2,;.1,-.31,;1.44,-1.08,;1.44,-2.62,;.1,-3.39,;.1,-4.93,;1.44,-5.7,;1.44,-7.24,;2.77,-4.93,;2.77,-3.39,;2.77,-.31,;4.1,-1.08,;5.44,-.31,;6.77,-1.08,;6.77,-2.62,;8.11,-3.39,;5.44,-3.39,;-1.23,-1.08,;-2.56,-.31,;-3.9,-1.08,;-3.9,-2.62,;-2.56,-3.39,;-1.23,-2.62,;-5.23,-3.39,;-5.23,-4.93,;-6.57,-2.62,;-6.57,-1.08,;-7.9,-.31,;-7.9,1.23,;-6.57,2,;-5.23,1.23,;-5.23,-.31,;-6.57,3.54,;-5.32,4.44,;-5.8,5.91,;-5.03,7.24,;-7.34,5.91,;-8.11,7.24,;-7.81,4.44,)|
CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(CC1)C(C)=O |r,wU:33.36,wD:9.9,36.43,(8,.38,;6.67,1.15,;5.33,.38,;4,1.15,;2.67,.38,;1.33,1.15,;,.38,;-1.33,1.15,;,-1.15,;1.33,-1.93,;1.33,-3.47,;,-4.23,;,-5.78,;1.33,-6.54,;1.33,-8.08,;2.67,-5.78,;2.67,-4.23,;2.67,-1.15,;4,-1.93,;5.33,-1.15,;6.67,-1.93,;6.67,-3.47,;8,-4.23,;5.33,-4.23,;-1.33,-1.93,;-2.67,-1.15,;-4,-1.93,;-4,-3.47,;-2.67,-4.23,;-1.33,-3.47,;-5.33,-4.23,;-5.33,-5.78,;-6.67,-3.47,;-6.67,-1.93,;-8,-1.15,;-8,.38,;-6.67,1.15,;-5.33,.38,;-5.33,-1.15,;-6.67,2.69,;-5.33,3.47,;-5.33,5,;-6.67,5.78,;-8,5,;-8,3.47,;-6.67,7.31,;-8,8.08,;-5.33,8.08,)|
CNC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(nc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:6.5,wD:20.21,9.9,(-3.33,2.69,;-4.67,3.47,;-4.67,5,;-3.33,5.78,;-6,5.78,;-7.34,5,;-7.34,3.47,;-6,2.69,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-6,-3.47,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;4.67,2.69,;6,3.47,;6,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-8.67,1.15,;-8.67,2.69,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)CC1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:36.43,wD:9.9,(6,3.85,;6,2.31,;4.67,1.54,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-.67,-4.62,;.67,-5.39,;.67,-6.93,;2,-4.62,;2,-3.08,;2,,;3.33,-.77,;4.67,,;6,-.77,;7.34,,;8.67,-.77,;7.34,1.54,;-2,-.77,;-2,-2.31,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-6,-3.08,;-6,-4.62,;-7.34,-2.31,;-7.34,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,3.85,;-8.67,4.62,;-8.67,6.16,;-7.34,6.93,;-6,6.16,;-4.67,6.93,;-6,4.62,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;.67,1.54,;-.67,.77,;-2,1.54,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;.67,-6.16,;.67,-7.7,;2,-5.39,;2,-3.85,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;-2,-1.54,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-3.33,-.77,;-6,-3.85,;-6,-5.39,;-7.34,-3.08,;-7.34,-1.54,;-6,-.77,;-6,.77,;-7.34,1.54,;-8.67,.77,;-8.67,-.77,;-7.34,3.08,;-8.67,3.85,;-8.67,5.39,;-7.34,6.16,;-7.34,7.7,;-6,5.39,;-4.67,6.16,;-6,3.85,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(12,5,;10.67,5.78,;9.34,5,;8,5.78,;6.67,5,;5.33,5.78,;4,5,;2.67,5.78,;4,3.47,;5.33,2.69,;5.33,1.15,;4,.38,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;6.67,.38,;6.67,3.47,;8,2.69,;9.34,3.47,;10.67,2.69,;10.67,1.15,;12,.38,;9.34,.38,;2.67,2.69,;2.67,1.15,;1.33,.38,;,1.15,;,2.69,;1.33,3.47,;-1.33,.38,;-1.33,-1.15,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-10.67,-3.47,;-12,-4.23,;-9.34,-4.23,;-9.34,-5.78,;-8,-3.47,)|
CCN1CN(CC1=O)[C@H]1CC[C@H](CN(C)c2ccc(cn2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:8.8,wD:22.24,11.12,(-9.51,-6.19,;-10.28,-4.86,;-9.51,-3.52,;-8.05,-3.05,;-8.05,-1.51,;-9.51,-1.03,;-10.42,-2.28,;-11.96,-2.28,;-6.71,-.74,;-6.71,.8,;-5.38,1.57,;-4.05,.8,;-2.71,1.57,;-1.38,.8,;-1.38,-.74,;-.05,1.57,;1.29,.8,;2.62,1.57,;2.62,3.11,;1.29,3.88,;-.05,3.11,;3.96,3.88,;5.29,3.11,;5.29,1.57,;3.96,.8,;3.96,-.74,;5.29,-1.51,;5.29,-3.05,;6.62,-.74,;6.62,.8,;6.62,3.88,;7.96,3.11,;9.29,3.88,;10.62,3.11,;10.62,1.57,;11.96,.8,;9.29,.8,;9.29,5.42,;10.62,6.19,;11.96,5.42,;7.96,6.19,;6.62,5.42,;5.29,6.19,;3.96,5.42,;2.62,6.19,;-4.05,-.74,;-5.38,-1.51,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(12,4.23,;10.67,5,;9.34,4.23,;8,5,;6.67,4.23,;5.33,5,;4,4.23,;2.67,5,;4,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;5.33,-4.23,;6.67,-1.93,;6.67,-.38,;6.67,2.69,;8,1.93,;9.34,2.69,;10.67,1.93,;10.67,.38,;12,-.38,;9.34,-.38,;2.67,1.93,;2.67,.38,;1.33,-.38,;,.38,;,1.93,;1.33,2.69,;-1.33,-.38,;-1.33,-1.93,;-2.67,.38,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-8,-2.69,;-8,-4.23,;-9.34,-5,;-10.67,-4.23,;-12,-5,;-10.67,-2.69,;-12,-1.93,;-9.34,-1.93,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C(C)C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6.87,2.87,;6.87,1.33,;5.54,.56,;4.21,1.33,;2.87,.56,;1.54,1.33,;.21,.56,;-1.13,1.33,;.21,-.98,;1.54,-1.75,;1.54,-3.29,;.21,-4.06,;.21,-5.6,;1.54,-6.37,;1.54,-7.91,;2.87,-5.6,;2.87,-4.06,;2.87,-.98,;4.21,-1.75,;5.54,-.98,;6.87,-1.75,;8.21,-.98,;9.54,-1.75,;8.21,.56,;-1.13,-1.75,;-1.13,-3.29,;-2.46,-4.06,;-3.79,-3.29,;-3.79,-1.75,;-2.46,-.98,;-5.13,-4.06,;-5.13,-5.6,;-6.46,-3.29,;-6.46,-1.75,;-5.13,-.98,;-5.13,.56,;-6.46,1.33,;-7.8,.56,;-7.8,-.98,;-6.46,2.87,;-7.71,3.78,;-7.23,5.24,;-8,6.57,;-7.23,7.91,;-9.54,6.57,;-5.69,5.24,;-4.92,6.57,;-5.22,3.78,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(11.96,4.75,;10.62,5.52,;9.29,4.75,;7.96,5.52,;6.62,4.75,;5.29,5.52,;3.96,4.75,;2.62,5.52,;3.96,3.21,;5.29,2.44,;5.29,.9,;3.96,.13,;3.96,-1.41,;5.29,-2.18,;5.29,-3.72,;6.62,-1.41,;6.62,.13,;6.62,3.21,;7.96,2.44,;9.29,3.21,;10.62,2.44,;10.62,.9,;11.96,.13,;9.29,.13,;2.62,2.44,;2.62,.9,;1.29,.13,;-.05,.9,;-.05,2.44,;1.29,3.21,;-1.38,.13,;-1.38,-1.41,;-2.71,.9,;-4.05,.13,;-5.38,.9,;-6.71,.13,;-6.71,-1.41,;-5.38,-2.18,;-4.05,-1.41,;-8.05,-2.18,;-8.05,-3.72,;-9.51,-4.19,;-10.28,-5.52,;-10.42,-2.95,;-11.96,-2.95,;-9.51,-1.7,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)[C@H](C)N1CCNCC1=O |r|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC1CCC1)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:37.45,wD:9.9,34.38,(11.96,4.75,;10.62,5.52,;9.29,4.75,;7.96,5.52,;6.62,4.75,;5.29,5.52,;3.96,4.75,;2.62,5.52,;3.96,3.21,;5.29,2.44,;5.29,.9,;3.96,.13,;3.96,-1.41,;5.29,-2.18,;5.29,-3.72,;6.62,-1.41,;6.62,.13,;6.62,3.21,;7.96,2.44,;9.29,3.21,;10.62,2.44,;10.62,.9,;9.53,-.18,;10.62,-1.27,;11.71,-.18,;2.62,2.44,;1.29,3.21,;-.05,2.44,;-.05,.9,;1.29,.13,;2.62,.9,;-1.38,.13,;-1.38,-1.41,;-2.71,.9,;-4.05,.13,;-5.38,.9,;-6.71,.13,;-6.71,-1.41,;-5.38,-2.18,;-4.05,-1.41,;-8.05,-2.18,;-8.05,-3.72,;-9.51,-4.19,;-10.28,-5.52,;-10.42,-2.95,;-11.96,-2.95,;-9.51,-1.7,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OCC1CCCO1)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:39.47,wD:9.9,36.40,(10.77,4.75,;9.44,5.52,;8.11,4.75,;6.77,5.52,;5.44,4.75,;4.1,5.52,;2.77,4.75,;1.44,5.52,;2.77,3.21,;4.1,2.44,;4.1,.9,;2.77,.13,;2.77,-1.41,;4.1,-2.18,;4.1,-3.72,;5.44,-1.41,;5.44,.13,;5.44,3.21,;6.77,2.44,;8.11,3.21,;9.44,2.44,;9.44,.9,;10.77,.13,;12.24,.61,;13.14,-.64,;12.24,-1.88,;10.77,-1.41,;1.44,2.44,;.1,3.21,;-1.23,2.44,;-1.23,.9,;.1,.13,;1.44,.9,;-2.56,.13,;-2.56,-1.41,;-3.9,.9,;-5.23,.13,;-6.57,.9,;-7.9,.13,;-7.9,-1.41,;-6.57,-2.18,;-5.23,-1.41,;-9.23,-2.18,;-9.23,-3.72,;-10.7,-4.19,;-11.47,-5.52,;-11.6,-2.95,;-13.14,-2.95,;-10.7,-1.7,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)[C@H](C)N1CCN(CC1=O)C(C)=O |r|
CCOc1cc(\C=C2\C(C)=NN(C2=O)c2ccccc2)cc(Cl)c1OCC(=O)OC |c:9|
CC(CC(=O)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(O)=O)c1ccccc1 |r|
OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
CC(C)(C)Oc1ccc(C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C(O)=O)cc1 |r|
Nc1ccc(C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C(O)=O)cc1 |r|
OC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
OC(=O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
OC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
COc1ccc(C2=N[C@@H]([C@@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |r,t:6|
OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O |r|
OC(=O)CCC(=O)NCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(13.19,-25.49,;13.93,-24.13,;13.12,-22.82,;15.47,-24.08,;16.2,-22.73,;15.39,-21.42,;13.85,-21.46,;16.12,-20.07,;17.66,-20.02,;18.39,-18.66,;19.93,-18.61,;20.66,-17.26,;19.85,-15.95,;22.2,-17.21,;23.14,-18.43,;24.59,-17.92,;25.95,-18.64,;27.26,-17.84,;28.62,-18.56,;27.22,-16.3,;25.86,-15.56,;24.55,-16.38,;23.07,-15.95,;22.55,-14.49,;23.42,-13.22,;22.48,-12,;21.03,-12.52,;21.07,-14.06,;19.85,-15,;18.43,-14.42,;17.21,-15.36,;15.78,-14.77,;15.58,-13.25,;14.15,-12.66,;16.8,-12.3,;18.22,-12.89,;24.96,-13.18,;25.69,-11.82,;27.23,-11.78,;28.04,-13.09,;29.58,-13.04,;27.3,-14.44,;25.77,-14.49,)|
OC(=O)CCC(=O)NCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(9.15,-11.62,;9.92,-12.95,;9.15,-14.28,;11.46,-12.95,;12.23,-14.28,;13.77,-14.28,;14.54,-12.95,;14.54,-15.62,;16.08,-15.62,;16.85,-16.95,;18.39,-16.95,;19.16,-18.29,;20.7,-18.29,;21.47,-19.62,;23.01,-19.62,;23.78,-18.29,;23.01,-16.95,;25.32,-18.29,;26.23,-19.53,;27.69,-19.06,;29.02,-19.83,;30.36,-19.06,;31.69,-19.83,;30.36,-17.52,;29.02,-16.75,;27.69,-17.52,;26.23,-17.04,;25.75,-15.57,;26.65,-14.33,;25.75,-13.08,;24.28,-13.56,;24.28,-15.1,;23.04,-16,;21.63,-15.38,;20.39,-16.28,;18.98,-15.66,;18.82,-14.12,;17.41,-13.49,;20.07,-13.22,;21.47,-13.85,;28.19,-14.33,;28.96,-13,;30.5,-13,;31.27,-14.33,;32.81,-14.33,;30.5,-15.66,;28.96,-15.66,)|
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(F)c(F)c1)-c1ccc(F)cc1 |(17.08,-16.49,;17.85,-15.17,;17.08,-13.82,;19.39,-15.17,;20.29,-16.42,;21.76,-15.92,;23.1,-16.69,;24.43,-15.92,;25.76,-16.69,;24.42,-14.37,;23.09,-13.61,;21.76,-14.39,;20.29,-13.91,;19.81,-12.44,;20.72,-11.21,;19.81,-9.96,;18.35,-10.43,;18.35,-11.98,;17.1,-12.89,;15.69,-12.26,;15.53,-10.73,;14.12,-10.11,;12.88,-11.01,;11.47,-10.39,;13.04,-12.55,;11.8,-13.45,;14.45,-13.17,;22.26,-11.21,;23.02,-12.55,;24.56,-12.55,;25.34,-11.22,;26.88,-11.22,;24.57,-9.88,;23.03,-9.88,)|
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.91,-19.06,;15.68,-20.39,;14.91,-21.72,;17.22,-20.39,;18.12,-21.64,;19.59,-21.16,;20.92,-21.93,;22.25,-21.16,;23.59,-21.93,;22.25,-19.62,;20.92,-18.85,;19.59,-19.62,;18.12,-19.15,;17.64,-17.68,;18.56,-16.44,;17.64,-15.19,;16.19,-15.67,;16.19,-17.21,;14.94,-18.11,;13.53,-17.48,;12.28,-18.39,;10.88,-17.77,;10.72,-16.23,;9.31,-15.61,;11.96,-15.33,;13.37,-15.96,;20.1,-16.44,;20.86,-17.78,;22.4,-17.78,;23.17,-16.44,;24.71,-16.44,;22.39,-15.1,;20.85,-15.11,)|
OC(=O)c1ccc(CNC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(ncn2Cc2ccc(Cl)cc2)-c2ccc(F)cc2)cc1 |(10.42,-22.35,;11.96,-22.35,;12.74,-23.68,;12.72,-21.02,;11.95,-19.68,;12.71,-18.35,;14.25,-18.34,;15.01,-17.01,;16.55,-17,;17.32,-15.67,;16.54,-14.33,;18.85,-15.66,;19.75,-16.91,;21.21,-16.42,;22.56,-17.17,;23.87,-16.4,;25.21,-17.16,;23.86,-14.86,;22.54,-14.1,;21.21,-14.89,;19.75,-14.4,;19.27,-12.95,;20.17,-11.7,;19.26,-10.47,;17.8,-10.94,;17.8,-12.48,;16.57,-13.39,;15.17,-12.77,;13.93,-13.69,;12.51,-13.07,;12.35,-11.54,;10.95,-10.91,;13.58,-10.63,;15,-11.24,;21.71,-11.7,;22.46,-10.36,;24,-10.35,;24.77,-11.69,;26.31,-11.67,;24.01,-13.01,;22.47,-13.03,;15.02,-19.67,;14.26,-21.01,)|
CCN(CC)CCNC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.1,-21.32,;15.64,-21.32,;16.41,-22.65,;15.64,-23.99,;16.41,-25.32,;17.95,-22.65,;18.71,-21.32,;20.25,-21.32,;21.02,-19.99,;20.25,-18.65,;22.56,-19.99,;23.47,-21.23,;24.93,-20.76,;26.27,-21.53,;27.6,-20.76,;28.94,-21.53,;27.6,-19.22,;26.27,-18.45,;24.93,-19.22,;23.47,-18.74,;22.99,-17.27,;23.89,-16.02,;22.99,-14.78,;21.53,-15.25,;21.53,-16.79,;20.28,-17.71,;18.87,-17.08,;17.63,-17.98,;16.22,-17.36,;16.06,-15.82,;14.66,-15.2,;17.31,-14.92,;18.72,-15.54,;25.43,-16.02,;26.2,-14.69,;27.74,-14.69,;28.51,-16.02,;30.05,-16.02,;27.74,-17.36,;26.2,-17.36,)|
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2ccccc2Br)cc1)-c1ccc(F)cc1 |(20.01,-19.68,;21.19,-18.7,;20.93,-17.18,;22.64,-19.23,;23.05,-20.72,;24.6,-20.78,;25.59,-21.97,;27.11,-21.72,;28.09,-22.91,;27.65,-20.27,;26.66,-19.08,;25.14,-19.34,;23.92,-18.37,;23.99,-16.83,;25.26,-15.97,;24.87,-14.5,;23.32,-14.44,;22.76,-15.82,;21.27,-16.2,;20.14,-15.16,;20.48,-13.63,;19.38,-12.59,;17.9,-13.06,;16.76,-12.01,;15.28,-12.47,;14.94,-13.98,;16.08,-15.01,;15.74,-16.51,;14.27,-16.97,;13.13,-15.92,;13.48,-14.42,;12.36,-13.37,;17.57,-14.55,;18.7,-15.59,;26.71,-16.49,;26.97,-18.01,;28.42,-18.53,;29.6,-17.54,;31.03,-18.06,;29.32,-16.02,;27.87,-15.5,)|
Fc1ccc(cc1)-c1ncn(Cc2ccc(Cl)cc2)c1-c1c([nH]c2cc(Cl)ccc12)C(=O)N1CCC(CC1)N1CCOCC1 |(30,-14.56,;28.46,-14.56,;27.69,-13.23,;26.15,-13.23,;25.38,-14.56,;26.15,-15.9,;27.69,-15.9,;23.84,-14.56,;22.94,-13.32,;21.47,-13.79,;21.47,-15.33,;20.22,-16.24,;18.82,-15.61,;17.57,-16.52,;16.17,-15.9,;16.01,-14.36,;14.6,-13.73,;17.25,-13.46,;18.66,-14.08,;22.94,-15.81,;23.41,-17.27,;22.51,-18.52,;23.41,-19.77,;24.88,-19.29,;26.21,-20.06,;27.55,-19.29,;28.88,-20.06,;27.55,-17.75,;26.21,-16.98,;24.88,-17.75,;20.97,-18.52,;20.2,-17.19,;20.2,-19.85,;20.97,-21.19,;20.2,-22.52,;18.66,-22.52,;17.89,-21.19,;18.66,-19.85,;17.89,-23.85,;18.66,-25.19,;17.89,-26.52,;16.35,-26.52,;15.58,-25.19,;16.35,-23.85,)|
Fc1ccc(cc1)-c1ncn(Cc2ccc(Cl)cc2)c1-c1c([nH]c2cc(Cl)ccc12)C(=O)OCCN1CCOCC1 |(30.21,-12.02,;28.67,-12.02,;27.9,-10.69,;26.36,-10.69,;25.59,-12.02,;26.36,-13.35,;27.9,-13.35,;24.05,-12.02,;23.14,-10.78,;21.68,-11.25,;21.68,-12.79,;20.43,-13.69,;19.02,-13.07,;17.78,-13.98,;16.37,-13.35,;16.21,-11.82,;14.8,-11.19,;17.45,-10.91,;18.86,-11.54,;23.14,-13.27,;23.61,-14.73,;22.71,-15.98,;23.61,-17.23,;25.08,-16.75,;26.41,-17.52,;27.75,-16.75,;29.08,-17.52,;27.75,-15.21,;26.41,-14.44,;25.08,-15.21,;21.17,-15.98,;20.4,-14.65,;20.4,-17.31,;18.86,-17.31,;18.09,-18.65,;16.55,-18.65,;15.78,-19.98,;14.24,-19.98,;13.47,-18.65,;14.24,-17.31,;15.78,-17.31,)|
OC(=O)CCC(=O)OCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(11.56,-10.6,;12.33,-11.94,;11.56,-13.27,;13.87,-11.94,;14.64,-13.27,;16.18,-13.27,;16.95,-11.94,;16.95,-14.6,;18.49,-14.6,;19.26,-15.94,;20.8,-15.94,;21.57,-17.27,;23.11,-17.27,;23.88,-18.6,;25.42,-18.6,;26.19,-17.27,;25.42,-15.94,;27.73,-17.27,;28.64,-18.52,;30.1,-18.04,;31.43,-18.81,;32.77,-18.04,;34.1,-18.81,;32.77,-16.5,;31.43,-15.73,;30.1,-16.5,;28.64,-16.02,;28.16,-14.56,;29.06,-13.31,;28.16,-12.07,;26.69,-12.54,;26.69,-14.08,;25.45,-14.98,;24.04,-14.36,;22.8,-15.27,;21.39,-14.64,;21.23,-13.11,;19.82,-12.48,;22.48,-12.2,;23.88,-12.83,;30.6,-13.31,;31.37,-11.98,;32.91,-11.98,;33.68,-13.31,;35.22,-13.31,;32.91,-14.65,;31.37,-14.65,)|
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)-c1ccc(F)cc1 |(20.17,-21.62,;20.94,-20.3,;20.17,-18.95,;22.48,-20.3,;23.38,-21.55,;24.85,-21.05,;26.19,-21.82,;27.53,-21.05,;28.85,-21.82,;27.52,-19.51,;26.19,-18.74,;24.85,-19.52,;23.38,-19.04,;22.9,-17.58,;23.81,-16.34,;22.91,-15.09,;21.44,-15.57,;21.44,-17.11,;20.19,-18.02,;18.79,-17.39,;18.63,-15.87,;17.22,-15.24,;15.97,-16.14,;14.57,-15.52,;13.32,-16.43,;11.91,-15.8,;10.68,-16.71,;9.27,-16.09,;9.1,-14.55,;7.69,-13.93,;10.35,-13.64,;10.19,-12.11,;11.76,-14.27,;16.14,-17.68,;17.54,-18.3,;25.35,-16.34,;26.11,-17.68,;27.65,-17.68,;28.43,-16.35,;29.97,-16.35,;27.66,-15.02,;26.12,-15.01,)|
CN1CCN(CC1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(16.72,-22.63,;17.49,-21.31,;19.03,-21.31,;19.8,-19.97,;19.03,-18.63,;17.49,-18.63,;16.72,-19.97,;19.8,-17.3,;19.03,-15.97,;21.34,-17.3,;22.24,-18.55,;23.71,-18.07,;25.05,-18.84,;26.38,-18.07,;27.71,-18.84,;26.38,-16.53,;25.05,-15.76,;23.71,-16.53,;22.24,-16.05,;21.77,-14.59,;22.68,-13.34,;21.77,-12.1,;20.31,-12.57,;20.31,-14.11,;19.06,-15.02,;17.65,-14.39,;16.41,-15.3,;15,-14.67,;14.84,-13.14,;13.43,-12.52,;16.08,-12.23,;17.49,-12.86,;24.22,-13.34,;24.99,-12.01,;26.53,-12.01,;27.3,-13.34,;28.84,-13.34,;26.53,-14.68,;24.99,-14.68,)|
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2cc(F)cc(F)c2)cc1)-c1ccc(F)cc1 |(17.67,-17.78,;18.44,-16.46,;17.67,-15.11,;19.98,-16.46,;20.88,-17.71,;22.35,-17.21,;23.69,-17.98,;25.02,-17.21,;26.35,-17.98,;25.01,-15.66,;23.68,-14.9,;22.34,-15.68,;20.88,-15.2,;20.4,-13.73,;21.3,-12.5,;20.4,-11.25,;18.94,-11.72,;18.94,-13.27,;17.69,-14.18,;16.28,-13.55,;16.12,-12.02,;14.71,-11.4,;13.47,-12.3,;12.06,-11.68,;10.82,-12.58,;9.41,-11.96,;9.25,-10.43,;7.85,-9.8,;7.68,-8.27,;6.6,-10.71,;6.77,-12.25,;5.52,-13.16,;8.17,-12.87,;13.63,-13.84,;15.04,-14.46,;22.84,-12.5,;23.61,-13.84,;25.15,-13.84,;25.93,-12.51,;27.47,-12.51,;25.16,-11.17,;23.62,-11.17,)|
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2cc(F)c(F)c(F)c2)cc1)-c1ccc(F)cc1 |(19.25,-22.18,;20.01,-20.86,;19.25,-19.51,;21.55,-20.86,;22.46,-22.11,;23.93,-21.61,;25.27,-22.38,;26.6,-21.61,;27.93,-22.38,;26.59,-20.06,;25.26,-19.3,;23.92,-20.08,;22.45,-19.6,;21.98,-18.14,;22.88,-16.9,;21.98,-15.65,;20.51,-16.13,;20.51,-17.67,;19.27,-18.58,;17.86,-17.95,;17.7,-16.43,;16.29,-15.8,;15.05,-16.7,;13.64,-16.08,;12.4,-16.99,;10.99,-16.36,;10.83,-14.83,;9.42,-14.2,;9.26,-12.67,;8.18,-15.11,;6.77,-14.49,;8.34,-16.65,;7.1,-17.56,;9.75,-17.27,;15.21,-18.24,;16.62,-18.86,;24.42,-16.9,;25.19,-18.24,;26.73,-18.24,;27.5,-16.91,;29.04,-16.91,;26.74,-15.58,;25.2,-15.57,)|
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@](C)(CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O |r,c:59|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1cccc(c1)-c1ccccc1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccccc1 |r|
C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(Cl)cc1 |r|
COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(cc1)-c1ccccc1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2ccccc12 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1 |r|
C[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccc2ccccc2c1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1c[nH]c2ccccc12 |r|
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Clc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc23)cc1 |(4.61,-3.43,;4.68,-2.2,;6.05,-1.5,;6.13,.04,;4.84,.87,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.23,3.86,;-.3,3.74,;-1.08,2.41,;-2.62,2.42,;-3.38,3.75,;-2.61,5.08,;-1.07,5.08,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.47,.17,;3.39,-1.36,)|
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Clc1ccc(Cn2c(-c3c([nH]c4cc(Cl)ccc34)C(=O)NCCN3CCOCC3)c(-c3ccccc3)c3ccccc23)cc1 |(10.13,5.08,;9.03,4.52,;8.95,2.98,;7.58,2.28,;6.29,3.11,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;4.8,1.11,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.63,-3.92,;11.17,-3.9,;11.92,-2.56,;11.14,-1.23,;9.6,-1.25,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;6.37,4.65,;7.74,5.35,)|
c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCCC\C=C\CCCCS1(=O)=O)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r,t:98|
CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCCCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CC\C=C\CCCCS1(=O)=O)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r,t:96|
COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccccc1 |r,wD:8.7,(-5.37,10.95,;-4.13,10.05,;-2.72,10.67,;-4.29,8.51,;-3.04,7.61,;-3.2,6.08,;-1.96,5.17,;-.55,5.8,;-2.12,3.64,;-3.45,2.87,;-3.13,1.36,;-1.6,1.2,;-.97,2.61,;-.83,-.13,;-1.6,-1.46,;.71,-.13,;1.61,1.12,;3.08,.64,;4.41,1.41,;5.75,.64,;7.08,1.41,;5.75,-.9,;4.41,-1.67,;3.08,-.9,;1.61,-1.38,;1.14,-2.84,;2.04,-4.09,;1.14,-5.33,;-.33,-4.86,;-.33,-3.32,;-1.57,-2.41,;-2.98,-3.04,;-3.14,-4.57,;-4.55,-5.2,;-5.79,-4.29,;-7.2,-4.92,;-5.63,-2.76,;-4.23,-2.13,;3.58,-4.09,;4.35,-2.75,;5.89,-2.75,;6.66,-4.09,;5.89,-5.42,;4.35,-5.42,)|
COc1cc2CC(=O)N([C@@H](c3ccccc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:32.35,wD:9.9,35.42,(19.45,-7.98,;18.11,-7.22,;16.78,-7.99,;15.45,-7.23,;14.13,-8,;12.8,-7.22,;11.47,-8,;10.14,-7.23,;11.47,-9.54,;12.8,-10.3,;12.8,-11.83,;11.47,-12.61,;11.47,-14.14,;12.8,-14.91,;14.14,-14.13,;14.13,-12.6,;14.13,-9.53,;15.46,-10.3,;16.79,-9.53,;18.12,-10.3,;18.12,-11.84,;19.46,-12.61,;16.79,-12.61,;10.14,-10.31,;8.81,-9.54,;7.47,-10.31,;7.48,-11.85,;8.82,-12.62,;10.15,-11.84,;6.14,-12.62,;6.15,-14.16,;4.81,-11.86,;4.8,-10.32,;3.46,-9.55,;3.47,-8.01,;4.8,-7.24,;6.13,-8.01,;6.13,-9.55,;4.8,-5.69,;3.47,-4.93,;3.48,-3.38,;4.82,-2.62,;4.83,-1.08,;6.15,-3.39,;7.48,-2.63,;6.14,-4.93,)|
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r|
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc3ccccc3c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(F)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2F)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2cc(F)cc(F)c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2cccc(Cl)c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2cccc(Br)c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)[C@H](N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r|
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(I)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2cccc(I)c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
COc1cccc(COc2ccc(CN(C=O)C(C(=O)NC(C)(C)C)c3c([nH]c4cc(Cl)ccc34)C(O)=O)cc2)c1OC
Cc1ccc(COc2ccc(CN(C=O)C(C(=O)NC(C)(C)C)c3c([nH]c4cc(Cl)ccc34)C(O)=O)cc2)cc1
CC(C)(C)NC(=O)C(N(Cc1ccc(OCC2CCCCC2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(cc2)C#N)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccn2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
[H][C@]12CC[C@@](C)(C(C1)NC(=O)C(N(Cc1ccc(OCc3ccccc3Br)cc1)C=O)c1c([nH]c3cc(Cl)ccc13)C(O)=O)C2(C)C |r,TLB:8:6:44:2.3|
CC(C)(C)NC(=O)C(N(Cc1ccc(NCc2ccc(Br)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
COc1cccc(COc2ccc(CN(C=O)C(C(=O)NC(C)(C)C)c3c([nH]c4cc(Cl)ccc34)C(O)=O)cc2)c1
[H][C@]12CC[C@@](C)(C(C1)NC(=O)C(N(Cc1ccc(OCc3ccc(Br)cc3)cc1)C=O)c1c([nH]c3cc(Cl)ccc13)C(O)=O)C2(C)C |r,TLB:8:6:44:2.3|
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Br)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2I)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OC2CCCC2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
OC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:35:36:38:42.40.41,THB:40:39:36:42.41.43,40:41:36:38.39.45,43:41:38:36.45.44,43:44:38:42.40.41,(62.85,-14.7,;62.09,-13.36,;62.86,-12.03,;60.55,-13.36,;59.64,-14.6,;58.17,-14.12,;56.84,-14.9,;55.5,-14.12,;54.17,-14.89,;55.51,-12.58,;56.84,-11.81,;58.18,-12.58,;59.64,-12.11,;60.12,-10.64,;59.1,-9.5,;57.59,-9.81,;56.56,-8.66,;57.05,-7.2,;56.02,-6.06,;54.51,-6.37,;53.49,-5.23,;51.98,-5.55,;50.95,-4.4,;49.45,-4.72,;48.42,-3.58,;48.89,-2.11,;50.4,-1.79,;51.43,-2.94,;52.94,-2.62,;54.04,-7.85,;55.07,-8.99,;59.58,-8.03,;58.55,-6.88,;61.63,-10.33,;62.89,-11.2,;62.11,-8.86,;63.62,-8.55,;64.71,-9.56,;64.82,-11.31,;65.54,-9.92,;66.91,-9.28,;66.67,-7.66,;65.97,-8.92,;65.56,-6.61,;64.18,-7.24,;64.37,-8.84,)|
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2cccc(F)c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CC(C)C[C@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CN(C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O |r|
CC(C)C[C@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CN(C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O |r|
CC(C)CS(=O)(=O)N(C[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CN(C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)S(=O)(=O)c1ccc2ccccc2c1)CC(=O)N[C@@H](CC1CCC1)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O |r|
CC(C)C[C@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CN(C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)S(=O)(=O)c1cccc2ccccc12)S(=O)(=O)CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H](-[#6])-[#8])S([#6])(=O)=O)S(=O)(=O)c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccccc1)S(=O)(=O)[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#7])=O)S([#6])(=O)=O |r|
COc1ccc(cc1)S(=O)(=O)N(C[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C |r|
CC(C)C[C@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CN(C[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O |r|
CC(C)C[C@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CN(C[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F)S(=O)(=O)CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O |r|
CC(C)C[C@@H](CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CN(C[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)CN(C[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)S(=O)(=O)Cc1ccccc1)S(=O)(=O)CC(C)C)S(=O)(=O)CCN |r|
COc1ccc(cc1)S(=O)(=O)N(C[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)S(C)(=O)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)C(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)Cc1c[nH]c2ccccc12 |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
Cc1c(Cl)ccc2cc(\C=C3/NC(=O)N(C(C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)[nH]c12
CC(C)(C)Oc1cc(ccc1C1=N[C@H]([C@H](N1C(=O)N1CCNC(=O)C1)c1c[nH]c2ccc(Cl)cc12)c1ccc(cc1)C(O)=O)C(=O)CC(N)=O |r,t:12|
COc1cc(Cc2c([nH]c3ccccc23)-c2ccn(c2)S(=O)(=O)c2ccccc2)cc(O)c1OC
CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
COc1ncc(-c2nc3C(=O)N([C@@H](C)c4cccc(Cl)c4)[C@H](c3n2C(C)C)c2ccc(Cl)cc2)c(OC)n1 |r|
CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl
COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1 |r|
C[C@@H](c1ccc(Cl)cc1Cl)n1cnc(c1-c1c([nH]c2cc(Cl)ccc12)C(=O)Nc1cc(ccc1N1CCC(CC1)N1CCCOC1=O)C(O)=O)-c1ccccc1 |r,wU:1.0,(-6.38,.63,;-5.61,1.97,;-6.38,3.3,;-7.92,3.3,;-8.68,4.63,;-7.91,5.97,;-8.68,7.3,;-6.38,5.97,;-5.6,4.64,;-4.06,4.64,;-4.07,1.97,;-3.23,3.26,;-1.74,2.86,;-1.66,1.32,;-3.1,.77,;-3.5,-.72,;-2.59,-1.96,;-3.5,-3.21,;-4.96,-2.73,;-6.29,-3.5,;-7.62,-2.74,;-8.96,-3.51,;-7.62,-1.19,;-6.29,-.42,;-4.96,-1.19,;-1.05,-1.96,;-.28,-.63,;-.28,-3.3,;-1.05,-4.63,;-2.6,-4.63,;-3.36,-5.97,;-2.59,-7.29,;-1.05,-7.29,;-.28,-5.96,;1.26,-5.96,;2.03,-4.63,;3.57,-4.63,;4.34,-5.96,;3.57,-7.3,;2.03,-7.3,;5.88,-5.96,;6.65,-7.3,;8.19,-7.3,;8.96,-5.96,;8.19,-4.63,;6.65,-4.63,;5.88,-3.3,;-4.9,-5.97,;-5.67,-4.63,;-5.67,-7.3,;-.17,1.72,;.22,3.21,;1.71,3.61,;2.8,2.52,;2.4,1.03,;.92,.63,)|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC2CCC2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r,t:39|
COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1
CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@](C)(CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O |r,c:59|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,c:63|
CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,c:63|
CC(C)N(CC(N)=O)C(=O)c1cc2c(nc(NCCc3c[nH]c4ccccc34)nc2n1CCCc1ccc(Cl)cc1Cl)N(C)C
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(N)=O |r,t:39|
Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl
Cc1c(Cl)ccc2c(\C=C3/NC(=O)N(C(C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)c[nH]c12
COOc1cc(\C=C2\C(C)=NN(C2=O)c2ccccc2)cc(Cl)c1OCC(=O)OC |c:9|
CC(C)(C)Oc1cc(ccc1C1=N[C@H]([C@H](N1C(=O)N1CCNC(=O)C1)c1c[nH]c2ccccc12)c1ccc(cc1)C(O)=O)C(=O)CC(N)=O |r,t:12|
C[C@@H](c1cccc(Cl)c1)n1cnc(c1-c1c([nH]c2cc(Cl)ccc12)C(=O)Nc1cc(ccc1N1CCC(CC1)N1CCCOC1=O)C(O)=O)-c1ccccc1 |r,wU:1.0,(-3.34,3.47,;-3.34,5.01,;-4.67,5.78,;-4.67,7.32,;-6.01,8.08,;-7.33,7.32,;-7.33,5.78,;-8.67,5.01,;-6,5.01,;-2,5.78,;-1.67,7.27,;-.13,7.44,;.49,6.07,;-.67,5.01,;-.67,1.92,;.66,1.15,;.32,-.38,;-1.18,-.53,;-2.09,-1.77,;-3.63,-1.6,;-4.4,-2.93,;-4.25,-.19,;-3.34,1.06,;-1.8,.89,;2,1.92,;2,3.46,;3.33,1.15,;4.67,1.92,;4.67,3.47,;6,4.23,;7.33,3.46,;7.33,1.92,;6,1.16,;6,-.38,;7.33,-1.15,;7.33,-2.69,;6,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-5,;4.67,-5.77,;4.67,-7.31,;6,-8.08,;7.33,-7.31,;7.33,-5.77,;8.67,-5,;6,5.77,;7.34,6.54,;4.67,6.54,;1.97,5.67,;3.06,6.76,;4.55,6.36,;4.94,4.88,;3.86,3.79,;2.37,4.18,)|
C[C@@H](c1cccc(Cl)c1)n1cnc(c1-c1c([nH]c2cc(Cl)ccc12)C(=O)NCCN1CCN(CC1)C1CCCCC1)-c1ccccc1 |r,wU:1.0,(-6,.89,;-6,2.43,;-7.34,3.2,;-7.34,4.75,;-8.67,5.51,;-10,4.74,;-10,3.2,;-11.33,2.43,;-8.67,2.43,;-4.67,3.2,;-4.34,4.69,;-2.8,4.87,;-2.18,3.5,;-3.34,2.43,;-3.34,-.65,;-2,-1.42,;-2.35,-2.95,;-3.84,-3.11,;-4.76,-4.35,;-6.3,-4.17,;-7.07,-5.51,;-6.92,-2.77,;-6.01,-1.51,;-4.46,-1.69,;-.67,-.65,;-.67,.89,;.66,-1.42,;2,-.65,;3.33,-1.42,;4.67,-.65,;4.67,.89,;6,1.66,;7.33,.89,;7.33,-.65,;6,-1.42,;8.67,1.66,;8.67,3.2,;10,3.97,;11.33,3.2,;11.33,1.66,;10,.89,;-.69,3.1,;.4,4.19,;1.88,3.79,;2.28,2.3,;1.2,1.21,;-.29,1.6,)|
Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
[H][C@@]12CN(C(=O)c3ccccc3)[C@@]([H])(C1)C(=O)N[C@@H](Cc1cn(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)NC[C@H](C(C)C)C(=O)N[C@@H](Cc3cccc(c3)C(F)(F)F)C(=O)N2)nn1)C(N)=O |r|
[H][C@@]12CN(C(=O)c3ccccc3)[C@@]([H])(C1)C(=O)N[C@H](Cc1cn(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)NC[C@H](C(C)C)C(=O)N[C@@H](Cc3cccc(c3)C(F)(F)F)C(=O)N2)nn1)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@](C)(CCCCCC\C=C\CCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O |r,t:59|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CO)C(N)=O |t:39|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC2CCC2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r,c:39|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(N)=O |r,t:39|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O |c:39|
COc1ccc(cc1)S(=O)(=O)N(C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)c1ccc(Cl)cc1
CN(C)C1CCN(CC1)C(=O)CCC(=O)N(C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)c1ccc(Cl)cc1
CCN1CCN(CC1)C(=O)CCC(=O)N(C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)c1ccc(Cl)cc1
CC(=O)N1CCN(CC1)C(=O)CCC(=O)N(C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)c1ccc(Cl)cc1
OCCN1CCN(CC1)C(=O)CCC(=O)N(C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)c1ccc(Cl)cc1
Fc1ccc(C(N(C(=O)CCC(=O)NCCN2CCOCC2)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)c(Cl)c1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC(=O)N(C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)c1ccc(Cl)cc1
Fc1ccc(C(N(C(=O)CCC(=O)N2CCNCC2)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)c(Cl)c1
COC(=O)c1ccc(NC(=O)CCC(=O)N(C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)c2ccc(Cl)cc2)cc1
COC(=O)c1ccc(cc1)C(=O)N(C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)c1ccc(Cl)cc1
OC(=O)c1ccc(cc1)C(=O)N(C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)c1ccc(Cl)cc1
CCCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCOC)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(CC)CC)N(C)C1=O |r|
COCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](C)N(C)C1=O)C(C)(C)C |r|
CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](N)(N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1ccccc1Cl)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(Cl)c1Cl)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(C)c1)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cccc(c1)[C@H]1[C@@H](N[C@@H](CC(C)(C)C)[C@]1(CN)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1OC)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1ccccc1F)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(F)c1)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(F)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1ccccc1Cl)c1cc(Cl)ccc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1ccc(Cl)cc1)c1cc(Cl)ccc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CN)([C@H]1c1cccc(Cl)c1Cl)c1cc(Cl)ccc1F)C(O)=O |r|
CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1cccc(Cl)c1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1ccccc1Cl)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1cccc(Cl)c1)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1ccc(Cl)cc1)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1cccc(Cl)c1Cl)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1cccc(C)c1)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1cccc(c1)C(F)(F)F)C(O)=O |r|
COc1cccc(c1)[C@H]1[C@@H](N[C@@H](CC(C)(C)C)[C@@]11CNc2cc(Cl)ccc12)C(=O)Nc1ccc(cc1OC)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1ccccc1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1cccc(F)c1)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1ccc(F)cc1)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1cccc(F)c1F)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc23)[C@H]1c1ccccc1Cl)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc23)[C@H]1c1cccc(Cl)c1)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc23)[C@H]1c1ccc(Cl)cc1)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc23)[C@H]1c1cccc(Cl)c1Cl)C(O)=O |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]1c1cccc(Cl)c1F)C(N)=O |r|
CNC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@]3(CNc4cc(Cl)ccc34)[C@H]2c2cccc(Cl)c2F)c(OC)c1 |r|
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CN(C)c3cc(Cl)ccc23)[C@H]1c1cccc(Cl)c1F)C(O)=O |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(Cl)c1F |r|
COc1cc(ccc1NC(=O)[C@H]1[C@H](c2cccc(Cl)c2F)[C@]2(CNc3cc(Cl)ccc23)[C@H](CC(C)(C)C)N1C)C(O)=O |r|
CCCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(Cl)c1F |r|
CCCCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(Cl)c1F |r|
COc1cc(ccc1NC(=O)[C@H]1[C@H](c2cccc(F)c2F)[C@]2(CNc3cc(Cl)ccc23)[C@H](CC(C)(C)C)N1C)C(O)=O |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(F)c1F |r|
CCCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(F)c1F |r|
CCCCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(F)c1F |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1ccccc1Cl |r|
CCN1[C@H](CC(C)(C)C)[C@]2(CNc3cc(Cl)ccc23)[C@@H]([C@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(Cl)c1 |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1ccc(Cl)cc1 |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(Cl)c1Cl |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(C)c1 |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(OC)c1 |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1ccccc1F |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(F)c1 |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(Cl)c1Cl |r|
CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc23)[C@H]([C@@H]1C(=O)Nc1ccc(cc1OC)C(O)=O)c1cccc(Cl)c1 |r|
CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@H](C)O
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)O
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)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](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)C(C)C
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)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](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC#N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O
CN(C)C1CCN(C(=O)CCC(=O)C(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)CC1
O=C(CCC(=O)N1CCNCC1)C(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl
O=C1CN(C(=O)N2C(c3ccc4c(c3)NC(=O)CNC4=O)=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)CCN1
O=C1CN(C(=O)N2C(c3ccc4c(c3)N(c3ccccc3)C(=O)CNC4=O)=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)CCN1
CC(C)Oc1cc(N)ccc1C1=N[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCNC(=O)C1
CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC
CCOC(=O)C1=NN(C2CCCCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
O=C(Nc1cccc(-n2ccc(-c3ccccc3)n2)c1)C1=NN(c2ccc(Cl)cc2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(O)c1
O=C(Nc1cccc(-n2cccn2)c1)C1=NN(c2ccc(Cl)cc2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(O)c1
COc1cc(Cc2c(-c3ccccc3)[nH]c3cc(C)ccc23)cc(OC)c1OC
COc1cc(C(O)c2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC
COc1cc(Cc2c(-c3ccn(S(=O)(=O)c4ccccc4)c3)[nH]c3ccccc23)cc(OC)c1OC
COc1cccc2c1NCC2C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1
N#Cc1c2ccc(N)cc2nc2cc(N)ccc12
CC(C)C(=O)Nc1ccccc1SC(=O)C(C)C
C[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2cscn2)C(=O)N1C
CCCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](CC(CC)CC)N(C)C1=O
Cc1ccnc(NC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=CCCC[C@@](C)(C(=O)NCOCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N2CC(O)CC2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCC(C)C)C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 |r,wU:33.34,8.7,wD:19.18,(-8.46,-26.11,;-8.38,-27.65,;-9.67,-28.49,;-9.72,-26.87,;-7.01,-28.34,;-5.72,-27.5,;-5.69,-26.03,;-4.34,-28.2,;-3.06,-27.36,;-3.14,-25.82,;-1.85,-24.97,;-1.94,-23.43,;-.65,-22.59,;-.74,-21.05,;-2.12,-20.36,;.55,-20.21,;-1.68,-28.05,;-1.59,-29.58,;-.39,-27.2,;.98,-27.89,;1.07,-29.44,;2.45,-30.13,;3.81,-29.42,;4.9,-30.5,;4.21,-31.88,;4.77,-33.31,;3.81,-34.52,;2.29,-34.28,;1.73,-32.84,;2.69,-31.65,;2.27,-27.05,;2.18,-25.51,;3.65,-27.74,;4.93,-26.9,;4.85,-25.36,;3.68,-24.35,;3.97,-22.85,;2.81,-21.83,;1.35,-22.34,;1.06,-23.85,;2.22,-24.86,;6.31,-27.59,;6.4,-29.13,;7.6,-26.75,;8.96,-27.45,;10.25,-26.62,;10.17,-25.08,;8.8,-24.38,;7.5,-25.22,)|
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 |r,wU:4.4,27.26,41.42,wD:16.15,(-4.51,4.31,;-4.51,2.77,;-3.18,2,;-5.84,2,;-5.84,.46,;-7.18,-.31,;-8.51,.46,;-9.84,-.31,;-8.51,2,;-9.84,2.77,;-9.84,4.31,;-10.37,1.33,;-11.36,3.04,;-4.51,-.31,;-4.51,-1.85,;-3.18,.46,;-1.84,-.31,;-1.84,-1.85,;-.51,-2.62,;-.51,-4.16,;.83,-4.93,;.83,-6.47,;-.51,-7.24,;2.16,-7.24,;-.51,.46,;-.51,2,;.83,-.31,;2.16,.46,;2.16,2,;3.49,2.77,;4.9,2.15,;5.93,3.29,;5.16,4.63,;5.64,6.09,;4.61,7.24,;3.1,6.92,;2.62,5.45,;3.65,4.31,;3.89,-.54,;3.89,-2.08,;5.63,.46,;7.36,-.54,;8.69,.23,;8.69,1.77,;7.36,2.54,;7.36,4.08,;8.69,4.85,;10.03,4.08,;10.03,2.54,;7.36,-2.08,;6.03,-2.85,;8.69,-2.85,;10.03,-2.08,;11.36,-2.85,;11.36,-4.39,;10.03,-5.16,;8.69,-4.39,)|
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r,wU:33.34,8.7,wD:19.18,(-13.47,-29.02,;-12.14,-28.24,;-12.14,-26.68,;-13.48,-27.46,;-10.77,-29,;-9.43,-28.22,;-9.45,-26.66,;-8.04,-29.01,;-6.72,-28.22,;-6.74,-26.69,;-5.42,-25.9,;-5.43,-24.36,;-4.12,-23.57,;-4.13,-22.04,;-5.47,-21.28,;-2.8,-21.24,;-5.38,-28.98,;-5.36,-30.52,;-4.06,-28.19,;-2.71,-28.95,;-2.69,-30.48,;-1.35,-31.23,;.05,-30.6,;1.09,-31.73,;.34,-33.07,;.83,-34.53,;-.19,-35.68,;-1.7,-35.37,;-2.2,-33.92,;-1.17,-32.77,;-1.39,-28.16,;-1.41,-26.62,;-.05,-28.91,;1.28,-28.13,;1.25,-26.59,;.19,-25.47,;.6,-24,;-.46,-22.89,;-1.95,-23.26,;-2.37,-24.74,;-1.31,-25.85,;2.67,-28.91,;2.68,-30.51,;4.03,-28.1,;5.42,-28.88,;6.78,-28.07,;8.15,-28.86,;9.51,-28.06,;9.5,-26.48,;8.12,-25.7,;6.76,-26.5,)|
CC(C)COC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C |r,wU:33.34,8.7,wD:19.18,(25.68,-40.37,;27.03,-41.13,;27.05,-42.69,;28.37,-40.35,;29.72,-41.11,;31.06,-40.32,;31.05,-38.77,;32.45,-41.12,;33.78,-40.33,;33.76,-38.79,;35.08,-38.01,;35.06,-36.46,;36.38,-35.68,;36.36,-34.14,;35.02,-33.39,;37.69,-33.36,;35.11,-41.09,;35.14,-42.62,;36.44,-40.3,;37.79,-41.06,;37.8,-42.59,;39.14,-43.34,;40.55,-42.71,;41.59,-43.84,;40.83,-45.18,;41.33,-46.64,;40.31,-47.79,;38.8,-47.48,;38.3,-46.03,;39.32,-44.88,;39.1,-40.27,;39.09,-38.73,;40.44,-41.02,;41.78,-40.24,;41.75,-38.7,;40.68,-37.58,;41.1,-36.1,;40.04,-35,;38.55,-35.37,;38.13,-36.85,;39.19,-37.96,;43.16,-41.02,;43.18,-42.62,;44.53,-40.21,;45.92,-40.98,;47.28,-40.18,;45.93,-42.54,;47.41,-41.38,)|
CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OC(C)(C)C |r,wU:7.15,32.42,wD:18.31,(7.43,-28.91,;6.06,-29.72,;6.08,-31.27,;7.4,-30.48,;4.68,-28.94,;3.31,-29.75,;3.33,-31.35,;1.92,-28.97,;1.89,-27.43,;.83,-26.31,;1.25,-24.84,;.19,-23.73,;-1.31,-24.1,;-1.72,-25.58,;-.66,-26.69,;.59,-29.75,;-.75,-29,;-.77,-27.46,;-2.07,-29.79,;-2.05,-31.32,;-.71,-32.07,;.69,-31.44,;1.74,-32.57,;.98,-33.91,;1.47,-35.37,;.45,-36.52,;-1.06,-36.21,;-1.56,-34.76,;-.53,-33.61,;-3.42,-29.03,;-4.74,-29.82,;-4.72,-31.36,;-6.07,-29.06,;-6.1,-27.53,;-4.77,-26.74,;-4.79,-25.2,;-3.47,-24.41,;-3.49,-22.88,;-4.83,-22.12,;-2.15,-22.08,;-7.4,-29.85,;-8.79,-29.06,;-8.8,-27.5,;-10.13,-29.84,;-11.49,-29.08,;-12.82,-29.86,;-11.5,-27.52,;-12.84,-28.3,)|
CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1 |r,wU:7.15,32.42,wD:18.31,(63.42,-49.02,;62.06,-49.83,;62.07,-51.38,;63.39,-50.59,;60.67,-49.05,;59.3,-49.86,;59.32,-51.46,;57.92,-49.08,;57.88,-47.54,;56.82,-46.42,;57.24,-44.95,;56.18,-43.84,;54.69,-44.21,;54.27,-45.69,;55.33,-46.8,;56.58,-49.86,;55.24,-49.11,;55.23,-47.57,;53.93,-49.9,;53.94,-51.43,;55.28,-52.18,;56.68,-51.55,;57.73,-52.68,;56.97,-54.02,;57.47,-55.48,;56.45,-56.63,;54.94,-56.32,;54.44,-54.87,;55.46,-53.72,;52.58,-49.14,;51.25,-49.93,;51.28,-51.47,;49.92,-49.17,;49.89,-47.64,;51.22,-46.85,;51.2,-45.31,;52.52,-44.52,;52.5,-42.99,;51.16,-42.23,;53.83,-42.2,;48.59,-49.96,;47.2,-49.17,;47.19,-47.61,;45.86,-49.95,;44.51,-49.19,;43.17,-49.97,;41.83,-49.2,;40.49,-49.99,;40.5,-51.55,;41.86,-52.31,;43.2,-51.52,)|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
COc1ccc(cc1)N1N=C2CC1(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCCNC2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:10|
COC1=CC=C(C=C1)N1N=NC(=N1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:4,6,10,12,31,34,36,49,59,84,86,t:2,28,44,46,57,82|
COC1=CC=C(C=C1)N1N=NC(=N1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(N)=O |r,c:4,6,10,12,31,34,36,49,59,84,86,t:2,28,44,46,57,82|
COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:74.86,48.62,32.41,20.22,113.124,98.112,wD:84.100,62.75,43.45,24.30,128.134,109.116,122.130,(45.65,16.47,;44.12,16.62,;43.22,15.38,;43.85,13.98,;42.95,12.74,;41.43,12.9,;40.79,14.29,;41.69,15.54,;40.52,11.65,;38.99,11.65,;38.51,10.19,;39.76,9.29,;41,10.19,;39.76,7.76,;41.09,6.97,;38.43,6.97,;38.43,5.43,;37.1,4.66,;37.1,3.13,;35.77,2.36,;35.78,.82,;34.44,.05,;33.11,.81,;33.11,2.36,;31.77,.04,;31.77,-1.5,;33.11,-2.27,;33.11,-3.81,;34.45,-1.5,;30.43,.81,;29.09,.04,;29.09,-1.5,;27.76,.81,;27.76,2.35,;29.09,3.13,;29.09,4.66,;30.42,5.44,;30.41,6.97,;31.74,7.75,;29.08,7.74,;26.43,.03,;25.09,.81,;25.09,2.35,;23.75,.03,;23.75,-1.51,;22.42,.8,;21.08,.03,;21.08,-1.51,;19.75,.8,;19.75,2.35,;21.08,3.11,;22.49,2.49,;23.52,3.64,;22.74,4.97,;23.22,6.44,;22.19,7.59,;20.68,7.27,;20.2,5.8,;21.24,4.65,;18.41,.02,;17.08,.8,;17.08,2.34,;15.74,.02,;15.74,-1.52,;17.08,-2.29,;18.41,-1.52,;19.75,-2.28,;19.75,-3.83,;21.09,-4.59,;18.42,-4.6,;17.08,-3.83,;14.4,.79,;13.07,.02,;13.07,-1.52,;11.74,.79,;11.74,2.33,;13.07,3.1,;14.48,2.48,;15.5,3.63,;14.73,4.97,;13.22,4.64,;10.4,.02,;9.07,.78,;9.07,2.33,;7.73,.01,;7.73,-1.53,;6.4,-2.3,;6.4,-3.83,;5.07,-4.6,;5.07,-6.14,;3.74,-6.91,;2.41,-6.14,;3.75,-8.45,;2.42,-9.22,;5.08,-9.21,;6.39,.78,;5.05,.01,;5.05,-1.53,;3.72,.78,;3.72,2.32,;5.05,3.1,;6.39,2.33,;7.73,3.1,;7.72,4.64,;6.39,5.41,;5.05,4.64,;2.38,0,;1.05,.78,;1.05,2.32,;-.29,.01,;-1.62,.77,;-2.96,.01,;-2.96,-1.54,;-4.3,.77,;-4.3,2.32,;-2.97,3.08,;-2.97,4.63,;-1.63,2.32,;-5.63,0,;-6.96,.77,;-8.29,0,;-6.96,2.31,;-.29,-1.54,;-1.62,-2.31,;1.05,-2.31,;37.11,.05,;37.11,-1.49,;38.45,.82,;39.78,.05,;39.78,-1.49,;41.12,-2.26,;41.12,.83,;42.46,.05,;41.12,2.37,)|
COC1=CC=C(C=C1)N1N=NC(=N1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:4,6,10,12,59,62,64,77,87,112,114,t:2,56,72,74,85,110|
COC1=CC=C(C=C1)N1N=NC(=N1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:4,6,10,12,55,58,60,73,108,110,t:2,52,68,70,106|
COC1=CC=C(C=C1)N1N=NC(=N1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:4,6,10,12,59,62,64,77,112,114,t:2,56,72,74,110|
COC1=CC=C(C=C1)N1N=NC(=N1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CNC2=C1C=CC(Cl)=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:4,6,10,12,59,62,65,78,113,115,t:2,56,73,75,111|
COC1=CC=C(C=C1)N1N=C(CC1C(N)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:4,6,10,62,65,67,80,113,115,t:2,59,75,77,111|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CO)C(N)=O |r|
COc1ccc(Cn2c(C)nc(Cc3ccc(N)cc3)c2Cc2ccc(Cl)cc2)cc1
CC(C)CCn1cnc(c1-c1c[nH]c2cc(Cl)ccc12)-c1ccccc1 |(26.69,2.13,;27.47,.8,;26.7,-.54,;29.01,.81,;29.78,-.52,;31.32,-.52,;32.22,.74,;33.69,.27,;33.7,-1.27,;32.24,-1.76,;31.77,-3.23,;32.69,-4.48,;31.78,-5.74,;30.31,-5.27,;28.96,-6.04,;27.63,-5.27,;26.3,-6.04,;27.63,-3.73,;28.96,-2.95,;30.3,-3.72,;34.95,-2.17,;34.8,-3.7,;36.05,-4.59,;37.45,-3.95,;37.6,-2.41,;36.35,-1.52,)|
Clc1ccc(Cn2cnc(c2-c2c[nH]c3cc(Cl)ccc23)-c2ccccc2)cc1 |(-5.67,-10.82,;-4.9,-12.15,;-3.35,-12.14,;-2.58,-13.47,;-3.35,-14.81,;-2.57,-16.14,;-1.03,-16.13,;-.13,-14.88,;1.33,-15.35,;1.34,-16.89,;-.12,-17.38,;-.59,-18.85,;.33,-20.1,;-.57,-21.36,;-2.05,-20.89,;-3.39,-21.66,;-4.73,-20.89,;-6.06,-21.66,;-4.72,-19.34,;-3.39,-18.57,;-2.06,-19.34,;2.6,-17.79,;2.44,-19.31,;3.7,-20.21,;5.1,-19.57,;5.24,-18.03,;3.99,-17.14,;-4.88,-14.82,;-5.66,-13.5,)|
Clc1ccc(Cn2cnc(c2-c2c([nH]c3cc(Cl)ccc23)C(=O)NCCN2CCOCC2)-c2ccccc2)cc1 |(10.77,-10.99,;11.55,-12.32,;13.09,-12.32,;13.86,-13.64,;13.1,-14.98,;13.87,-16.31,;15.41,-16.3,;16.31,-15.05,;17.78,-15.52,;17.79,-17.06,;16.33,-17.55,;15.55,-18.88,;16.18,-20.3,;15.02,-21.33,;13.68,-20.55,;12.21,-21.02,;11.07,-19.97,;9.6,-20.44,;11.41,-18.47,;12.87,-18,;14.01,-19.04,;17.68,-20.62,;18.72,-19.48,;18.16,-22.09,;19.66,-22.41,;20.13,-23.88,;21.64,-24.21,;22.1,-25.67,;23.6,-26,;24.64,-24.87,;24.17,-23.4,;22.66,-23.06,;19.13,-17.81,;19.14,-19.35,;20.48,-20.11,;21.81,-19.32,;21.79,-17.77,;20.45,-17.02,;11.56,-14.99,;10.78,-13.67,)|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl
C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O
CCCCCNC(c1nnnn1Cc1ccc(OCc2ccccc2F)cc1)c1c([nH]c2cc(Cl)ccc12)C(O)=O
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(cc1)C(C)C
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(NC1CCCC1)c1nnnn1-c1cccc(OCc2ccccc2)c1
OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(Cl)cc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(Cl)cc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(OCc2ccccc2F)cc1