2160 SMILES Strings for Coagulation factor XII

Compound Name
SMILES String
Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccccc1
Cc1cc(C(=O)NCc2ccc(CN)cc2C)c(C)n1Cc1csc(n1)-c1ccccc1
NCc1ccc(CNC(=O)c2cn(Cc3csc(n3)-c3ccccc3)nc2C(F)(F)F)cc1
NCc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4c(C)cc(CN)cc4C)c3C)cc2)c1
Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(CN)c(F)c4C)c(n3)C(F)(F)F)cc2)c1
Cc1nn(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1c(C)cc(CN)cc1C
Cc1c(cnn1Cc1ccc2nc(C)ccc2c1)C(=O)NCc1c(C)cc(CN)cc1C
Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)ccc2n1
Cc1ccc2cc(Cn3ncc(C(=O)NCc4c(C)cc(CN)cc4C)c3C(F)(F)F)ccc2n1
O=C(C(=O)c1ccccc1)c1ccccc1
CC(=O)C(=O)c1ccccc1
CC(=O)C(=O)C
c1ccc(cc1)C(=O)c2ccccc2
O=C(CC(=O)c1ccccc1)c1ccccc1
OC(C(=O)c1ccccc1)c1ccccc1
OC(C(O)c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(=O)C(=O)c1ccc(F)cc1
Clc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
Clc1ccccc1C(=O)C(=O)c1ccccc1Cl
Brc1ccc(cc1)C(=O)C(=O)c1ccc(Br)cc1
Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1
Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
OC(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
Clc1ccc(cc1)C(=O)C(=O)c1ccccc1
Cc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
Cc1ccc(cc1)C(=O)C(=O)c1ccccc1
Cc1ccc(cc1)C(=O)C(=O)c1ccc(C)cc1
Cc1ccc(cc1C)C(=O)C(=O)c1ccccc1
COc1ccc(cc1)C(=O)C(=O)c1ccccc1
COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1
COc1cccc(c1)C(=O)C(=O)c1cccc(OC)c1
COc1ccc(cc1OC)C(=O)C(=O)c1ccccc1Cl
BrCc1ccc(cc1)C(=O)C(=O)c1ccccc1
[O-][N+](=O)c1cc(ccc1Br)C(=O)C(=O)c1ccc(Br)c(c1)[N+]([O-])=O
Cc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
[O-][N+](=O)c1ccc(C(=O)C(=O)c2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)[N+]([O-])=O
Oc1ccc(cc1)C(=O)C(=O)c1ccc(O)cc1
Oc1ccc(Br)cc1C(=O)C(=O)c1cc(Br)ccc1O
Oc1ccc(C(=O)C(=O)c2ccc(O)cc2O)c(O)c1
Oc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccc(O)c(c1)[N+]([O-])=O
COc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccc(OC)c(c1)[N+]([O-])=O
CN(C)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)N(C)C
Fc1c(F)c(F)c(C(=O)C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1F
O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1
COc1ccc(cc1)C(O)C(=O)c1ccc(OC)cc1
CN(C)c1ccc(cc1)C(=O)C(O)c1ccccc1
c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O
CC(=O)CCC(=O)c1ccccc1
COC(OC)(C(=O)c1ccccc1)c1ccccc1
CCC(=O)C(C)=O
CC(=O)CC(=O)C
CC1CCC(=O)C1=O
CC1C(=O)CCC1=O
CCCCC(=O)C(C)=O
O=C1CCCC(=O)C1
CC1CCCC(=O)C1=O
CC1C(=O)CCCC1=O
CC1CC(C)(C)CC(=O)C1=O
C1=CC(=O)C=CC1=O
CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C |c:10,t:4|
ClC1=C(Cl)C(=O)C(=O)C(Cl)=C1Cl |c:1,9|
ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O |c:1,t:7|
CC1NC(=O)C(=O)OC1C
Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
O=S(=O)(Cc1ccccc1)Cc1ccccc1
O=S(=O)(Cc1ccccc1)c1ccccc1
O=S(Cc1ccccc1)Cc1ccccc1
c1ccc2c(c1)C(=O)C(=O)N2
CN1c2ccccc2C(=O)C1=O
OCN1C(=O)C(=O)c2ccccc12
ClN1C(=O)C(=O)c2ccccc12
BrCCN1C(=O)C(=O)c2ccccc12
ICCN1C(=O)C(=O)c2ccccc12
CC(=O)N1C(=O)C(=O)c2ccccc12
ClCC(=O)N1C(=O)C(=O)c2ccccc12
CCC(=O)N1C(=O)C(=O)c2ccccc12
CCCC(=O)N1C(=O)C(=O)c2ccccc12
OC(=O)CN1C(=O)C(=O)c2ccccc12
NC(=O)CN1C(=O)C(=O)c2ccccc12
O=C1N(c2ccccc2C1=O)c1ccccc1
c1ccc(cc1)CN2c3ccccc3C(=O)C2=O
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
Cc1cc(C)c(NCN2C(=O)C(=O)c3ccccc23)cc1C
CCc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
CC(C)(C)c1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
COc1cc(NCN2C(=O)C(=O)c3ccccc23)cc(OC)c1OC
O=C1N(CNc2ccc3ccccc3c2)c2ccccc2C1=O
Clc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
Brc1ccccc1NCN1C(=O)C(=O)c2ccccc12
Brc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
Oc1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc23)cc1
Cc1cccc(NC(=O)CN2C(=O)C(=O)c3ccccc23)c1
CCc1cccc2NC(=O)C(=O)c12
Clc1cccc2NC(=O)C(=O)c12
Cc1ccc2NC(=O)C(=O)c2c1
COc1ccc2NC(=O)C(=O)c2c1
c1cc2c(cc1F)C(=O)C(=O)N2
c1cc2c(cc1Cl)C(=O)C(=O)N2
Brc1ccc2NC(=O)C(=O)c2c1
Ic1ccc2NC(=O)C(=O)c2c1
FC(F)(F)Oc1ccc2NC(=O)C(=O)c2c1
[O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1
CC(=C)CN1C(=O)C(=O)c2cc(Br)ccc12
CCc1ccc2C(=O)C(=O)Nc2c1
Clc1ccc2C(=O)C(=O)Nc2c1
Cc1cccc2c1NC(=O)C2=O
Fc1cccc2C(=O)C(=O)Nc12
Clc1cccc2C(=O)C(=O)Nc12
COc1cccc2C(=O)C(=O)Nc12
c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O
OC(=O)c1cccc2C(=O)C(=O)Nc12
Cc1ccc(C)c2C(=O)C(=O)Nc12
Cc1cc2C(=O)C(=O)Nc2c(C)c1
Clc1ccc2NC(=O)C(=O)c2c1Cl
Clc1cc2NC(=O)C(=O)c2c(Cl)c1
Clc1ccc(Cl)c2C(=O)C(=O)Nc12
Clc1cc2NC(=O)C(=O)c2cc1Cl
Clc1cc2C(=O)C(=O)Nc2c(Cl)c1
Clc1ccc2C(=O)C(=O)Nc2c1Cl
Cc1ccc(Cl)c2C(=O)C(=O)Nc12
Cc1cc(Cl)cc2C(=O)C(=O)Nc12
Cc1c2NC(=O)C(=O)c2ccc1Cl
Cc1cc2C(=O)C(=O)Nc2cc1Br
O=C1N(CN2CCSCC2)c2ccccc2C1=O
O=C1N(CN2CCCCC2)c2ccccc2C1=O
O=C1N(CN2CCOCC2)c2ccccc2C1=O
CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
CCCCCCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
O=C1N(CCN2C(=O)C(=O)c3ccccc23)c2ccccc2C1=O
O=C1N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc45)cc3)cc2)c2ccccc2C1=O
COc1ccccc1C(=O)C(=O)c1ccccc1OC
CCOc1ccc(cc1)C(=O)C(=O)c1ccc(OCC)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)[N+]([O-])=O
Cc1cc(C)c(C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1
O=C(C1CCCCC1)C(=O)C1CCCCC1
O=C1C=Cc2ccccc2C1=O |c:2|
O=C1Cc2ccccc2C1=O
O=c1c2cccc3cccc(c23)c1=O
[O-][N+](=O)c1ccc2c3c(ccc([N+]([O-])=O)c13)c(=O)c2=O
O=C1N2CCCc3cccc(C1=O)c23
O=C1N2CCCc3cccc(C(=O)C1=O)c23
O=C1C(=O)c2ccccc2-c2ccccc12
[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
O=c1c2cccc3cc4ccccc4c(c23)c1=O
O=C1C(=O)c2cccnc2-c2ncccc12
CC(C)NC(=O)c1cc2cc(C)ccc2oc1=O
Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCC1
Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1
Cc1ccc2oc(=O)c(cc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:19.20.24:23,18:19:17.22.16:23,20:19:16:22.23.21,20:21:16:18.19.24|
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1ccccc1
Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1ccccc1
Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cccc2ccccc12
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cnc2ccccc2c1
O=C(Nc1ccccc1)c1cc2ccccc2oc1=O
ClCc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Brc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Clc1cc(Cl)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Clc1cc(Br)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
COc1cc(Br)cc2cc(C(=O)Nc3ccccc3)c(=O)oc12
COc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12
O=C(Nc1ccccc1)c1cc2c(ccc3ccccc23)oc1=O
Oc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
COc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1Cl
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1C
Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1
O=C(Oc1ccccc1)c1cc2ccccc2oc1=O
Cc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1
ClCc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cc(C)cc(C)c1
Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-[#6]Cl
c1ccc2c(c1)c(c3c(n2)CCCC3)N
CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
COc1ccc2nc3cc(Cl)ccc3c(N)c2c1
O=C(NCc1ccccn1)c1cn(CCc2ccccc2)nn1
O=C(C1CCC1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2OCOc2c1
O=C(N1CCCC(C1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(C)cc1
CC1(C)N(C(=O)c2ccco2)c2ccccc2-c2c1ssc2=S
CC(C)C(=O)Nc1cc(C)c(NC(=O)Cc2ccccc2)cn1
O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccoc1
Clc1ccc(cc1)C1CC(c2ccc(Cl)cc2)n2nc(NC(=O)c3ccco3)nc2N1
FC(F)(F)c1cnc(Oc2ccc(cc2)-c2nnco2)c(Cl)c1
COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(Cl)cc1
COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1
Cc1ccc(cc1)-c1nc(N)n(n1)C(=O)Cc1ccccc1
Cc1onc(c1C(=O)n1nnc2ccccc12)-c1ccccc1
Cc1occc1C(=O)n1nnc2ccccc12
COc1ccccc1C(=O)n1nc(nc1N)-c1ccc(Cl)cc1
CSc1nc(nn1C(=O)c1cccs1)-c1ccco1
COc1ccccc1C(=O)n1nc(nc1N)-c1ccco1
CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12
COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
CCCC(=O)n1nc(nc1N)-c1ccc(OC)cc1
O=C(c1cn(nc1-c1ccncc1)-c1ccccc1)n1nnc2ccccc12
Nc1nc(nn1C(=O)Cc1ccccc1)-c1cccnc1
COc1ccc(cc1Br)C(=O)n1nnc2ccccc12
Nc1nc(nn1C(=O)Cc1ccccc1)-c1ccccc1
Cc1cc(C)cc(c1)C(=O)n1cnnc1N
Nc1nc(nn1C(=O)c1ccco1)-c1cccnc1
CC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1
CCOC(=O)N1CCN(C\C(C)=C\c2ccccc2)CC1
Cc1ccc(cc1S(=O)(=O)NCCO)-c1n[nH]c(=O)c2ccccc12
COc1cc(OC)cc(c1)C(=O)n1nc(C)cc1C
ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1 |c:1|
O=C(Oc1ccc2c3CCCc3c(=O)oc2c1)c1ccco1
O=C(Oc1cccc(c1)-n1cnnn1)c1ccco1
Cc1ccc(cc1)C(=O)n1nnc2ccccc12
CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1
Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1
Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1
Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1
Clc1ccc(OC(=O)c2ccco2)c2ncccc12
Cc1ccccc1CNCc1cccnc1
COc1ccc(cc1)C(=O)n1cnnc1N
COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1
O=C(c1ccccc1)n1nnc2ccccc12
COc1ccc(C=c2sc3=NC4(N(C)C(=O)N(C)C4(Nn3c2=O)c2ccccc2)c2ccccc2)cc1 |t:9|
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
Cc1ccccc1C(=O)N=c1sccn1C |w:9.9|
COc1cc(OC)c2c(N)c(C#N)c(nc2c1)C(F)(F)C(F)(F)F
Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1
Clc1ccccc1-c1nc2ccsc2c(=O)o1
CC(C)NC(=O)c1ccccc1-c1ccccc1
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C#N |w:11.13|
COc1cc(OC)cc(c1)-c1nnc(SCc2cccc(c2)C(O)=O)o1
Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
Cc1ccc(cc1)C(=O)n1cnnc1N
Cc1ccc(NC(=O)C2(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
Cc1ccc(CNC(=O)CS(=O)CC(O)=O)cc1
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccc(Cl)cc1
CCc1ccc(cc1)C(=O)COC(=O)c1cccs1
COc1ccc(cc1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#6]-1=O)=[#7]\[#8]-[#6](=O)-c1cccc(c1)-[#7+](-[#8-])=O |t:1,4|
COc1ccc(cc1)-c1nc(N)n(n1)C(=O)Cc1ccccc1
CCCC(=O)n1nc(nc1N)-c1cccnc1
CCOc1cc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)ccc1OCCOc1ccccc1
CSc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1
OC1(CSC2=C(C#N)C(CC(=O)N12)c1ccccc1F)c1ccccc1 |c:4|
O=C(Oc1nsnc1N1CCOCC1)c1ccccc1
O=C1N=C(S\C1=C/c1cccs1)c1ccccc1 |c:2|
Cc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)c(sc2n1)S(C)(=O)=O
COc1cccc(c1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1
COc1cc(ccc1O)C(=O)n1nc(C)cc1C
COc1cccc(c1)-c1nc2ccccc2c(=O)o1
CCn1c(C)c(C(C)=O)c(nc1=S)N1CCN(CC1)c1ccccc1
O=C(c1cn(nc1-c1ccccc1)-c1ccccc1)n1nnc2ccccc12
COc1cc(OC)cc(c1)C(=O)n1cnnc1N
CC(=O)Oc1oc(nc1\C=N\c1ccccc1)-c1ccccc1
Cc1ccc(cc1)C(=O)Oc1oc(nc1\C=N\c1ccc(Cl)cc1)-c1ccco1
COC(=O)[C@H](C)NC(=O)NC(C)CCc1ccccc1
CC(C)C(C)(NC(=O)CSc1nnc(n1C)C(F)(F)F)C#N
CC(\N=c1/ccccn1C(=O)Nc1cccc(c1)C(F)(F)F)c1ccco1
COC(=O)c1nnc(NC(=O)c2ccc(Br)cc2)[nH]1
Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)no1
COC(=O)c1nnc(NC(=O)c2ccccc2)[nH]1
Fc1ccc(NC(=O)CCSc2nnc3ccc4ccccc4n23)cc1
Cc1cccc(C)c1OCC(=O)N[N-][CH+]c1cc2OCOc2cc1[N+]([O-])=O
O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(cc1)C#N
CC(C)(C)NC(=O)CN(C(=O)C1CSC(=O)C1)c1ccc2OCCOc2c1
Fc1ccccc1N1CCN(CC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
COc1ccc(Cn2c(nc3ccc(NC(=O)C4CC4)cc3c2=O)C2CC2)cc1
NC(=O)Cn1cnc(c1)-c1ccccc1
CC(=O)Nc1nc(=O)c2ccccc2s1
CCOCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
CCC(N1CCN(CC1)c1ccc(F)cc1)c1nnnn1Cc1ccc2OCOc2c1
COCCn1nnnc1C(N(Cc1ccco1)Cc1cccs1)c1cc2ccc(C)cc2[nH]c1=O
CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1
CC(C)CC(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1ccco1
CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
Cc1ccc(NC(=O)CS(=O)CC(=O)NCC2CCCO2)cc1
CC(C)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
COc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1
Cc1nnc(NC(=O)C2CCN(CC2)c2cnccn2)s1
COC(=O)COc1cccc(c1)-n1cnnn1
CC(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2CCCCc2c1C#N
COc1ccccc1\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)N1CCOCC1
Cc1ccc2[nH]c3c(NCC=C)ncnc3c2c1
CCc1cc2cc(sc2s1)C(=O)Nc1ccccc1F
COc1ccc(cc1)-n1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2OCCOc2c1
CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N1CCOCC1)c1cccs1
COc1ccc(cc1OC)-c1nnc(SCC(=O)Nc2cc(C)on2)n1N
O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1 |c:8,t:28|
CC(=O)NCC(=O)OCC(=O)Nc1ccc(cc1)C(C)=O
CCc1ccc(OCc2nnc(SCC(=O)N(C)C3CCS(=O)(=O)C3)n2CC=C)cc1
COc1ccc(NC(=O)c2cc(ccc2N2CCCCC2)S(=O)(=O)N2CCCCC2)cn1
Cn1c(=O)c(C(=O)CN2CCCc3ccccc23)c(N)n(Cc2ccccc2)c1=O
Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
Cc1noc(C)c1COC(=O)Cc1ccc(Cl)cc1
Cc1ccc(C)c(c1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1SCC=C |(10.63,-4.78,;9.49,-3.74,;8.02,-4.22,;6.88,-3.19,;7.2,-1.68,;6.05,-.65,;8.66,-1.21,;9.81,-2.24,;8.98,.3,;10.39,.92,;11.72,.15,;13.06,.92,;13.06,2.46,;14.39,3.23,;14.39,4.78,;15.73,2.46,;15.73,.92,;17.06,.15,;14.39,.15,;10.23,2.46,;8.72,2.78,;7.95,1.44,;6.42,1.28,;5.52,2.53,;3.99,2.37,;3.08,3.61,)|
CCOC(=O)N1CCN(CC1)c1ncnc2sc(C(=O)OCC)c(C)c12
COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c(OC)c1
O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccco1
Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
CCOCC(=O)Nc1cc(ccc1C)-c1cn2cccnc2n1
[H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)NCCC2=CCCCC2)C1=O |c:5,t:20,TLB:24:7:2:6.5,THB:9:8:2:6.5|
COc1ccccc1-n1c(CNC(=O)COc2ccccc2)n[nH]c1=S |(10.76,-2.55,;12.1,-1.78,;13.43,-2.55,;13.43,-4.09,;14.76,-4.86,;16.1,-4.09,;16.1,-2.55,;14.76,-1.78,;14.76,-.24,;13.52,.66,;12.05,.19,;10.91,1.22,;9.44,.74,;9.12,-.77,;8.3,1.77,;6.83,1.3,;5.69,2.33,;6.01,3.83,;4.86,4.86,;3.4,4.39,;3.08,2.88,;4.22,1.85,;13.99,2.13,;15.53,2.13,;16.01,.66,;17.47,.19,)|
CC(C)NC(=O)CCCc1cn(C)c2ccccc12
COc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1
CCOC(=O)c1nnn(c1CNc1ccc(C)c(Br)c1)-c1nonc1N
COc1ccc(C)cc1NC(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(C)CC1
COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)c1cccc(Cl)c1)c1cccnc1
CC(C)CCn1c(=S)[nH]c2ncccc2c1=O
CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1
COc1ccc2-c3onc(C(=O)NCc4cccnc4)c3CCc2c1
O=C1CN(C2CCCCC2)C(=O)C(N1CCC1=CCCCC1)c1ccncc1 |t:18|
CCCCC1(CC)C(=O)NC(=O)N=C1Nc1ccc(OC)cc1 |c:12|
CCC1=C\C(=C/c2ccc3OCOc3c2)C(=O)S1 |t:2|
O=C(Cc1ccc(cc1)-n1cccc1)N1CCc2ccccc12
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O
CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C
CC(C)(C)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccccc1
CCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1Cl
CC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1
CC(=O)n1nc2nc(C)cc(C)c2c1N
Cc1cc(cc(C)c1S(=O)(=O)NCCOc1ccccc1)N1CCCC1=O
Fc1cccc(c1)C(=O)n1nnc2ccccc12
COC(=O)c1ccccc1NC(=O)N1CCN(CC1)C(=O)c1ccco1
O=C(CCC1COc2ccccc2O1)NCc1ccco1
O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
CCCS(=O)(=O)N1CCN(CC1)c1ccccc1F
FC(F)C(F)(F)COCc1ccc(cc1)C(=O)NCC1CCCO1
O=C(c1csc2ccccc12)n1cccn1
O=C(c1csc2CCCCc12)n1cccn1
CC(=O)c1c(C)nn(CC(O)COc2ccc3CCCc3c2)c1C
COc1cccc(C(=O)n2cnnc2N)c1OC
COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1
CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl
CC(NC(=O)c1c(C)noc1C)c1ccc2OCOc2c1
Nc1nc(nn1C(=O)c1cccnc1)-c1ccc(Cl)cc1
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)S(C)(=O)=O)cc1
Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccco1
Cc1ccc(cc1C)C(=O)n1cnnc1N
OC(=O)C1CCCCC1C(=O)NCCc1ccccc1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1c(C)onc1-c1ccccc1
CCOC(=O)N1CCN(CC1)C(=O)C1CC(=NO1)c1ccc(F)cc1 |c:16|
CC(C)OCCOC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C
CCCSc1nnc(-c2c[nH]c3ccccc23)n1C
COCCn1c(SCC(N)=O)nnc1-c1c[nH]c2ccccc12
CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O
COc1cccc(OCC(=O)Nc2cc(OC)cc(OC)c2)c1
CC1=NC(C)=C(C(C1C(=O)OCC=C)c1ccc(O)cc1)C(=O)OCC=C |c:4,t:1|
Clc1ccc(NC(=O)N2CCC=CC2)cc1Cl |c:11|
OC(=O)COc1ccc2OCCOc2c1
COc1ccc(cc1)C(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12
Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C
O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
CN1CCN(CC1)c1nc2c(C)cc(C)cc2cc1C#N
CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Cc1cc(C)n(n1)-c1nnc(C)n1NS(=O)(=O)c1ccc(F)cc1
COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nn1cnnc1
CCc1cccc(CC)c1N(COC)C(=O)Cn1c(CO)nc2ccccc12
Clc1coc2cc(OC(=O)c3ccncc3)ccc2c1=O
O=S(=O)(N1CCCC1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
CC1(C)CC(CC(C)(C)N1)NCc1cccnc1
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCOC)c1
COC(=O)c1nnc(NC(C)=O)[nH]1
Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
Cn1c(SCC(N)=O)ncc1-c1ccccc1
O=C(OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)C1CN(Cc2ccco2)C(=O)C1
O=C1N(C(=O)c2ncccc12)c1cccc(c1)-c1nc2ccccc2o1
Cc1ccc(C)c(c1)-c1nc2cc(N)ccc2o1
CCOC(=O)c1cc2sccc2n1CC(=O)N1C(C)Cc2ccccc12
CCc1c(C)nc2ncnn2c1N1CCC(CC1)C(=O)Nc1ccccc1
CCOc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(C)CC1)c1nnnn1C1CCCCC1
Cc1nc2nc[nH]n2c(=O)c1NS(C)(=O)=O
Cc1nc2ccccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1
Cc1ccn(CC(O)=O)c(=O)c1
Cc1ccc2oc(NC(=O)N3CCOCC3)cc(=O)c2c1
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCC1
CCNc1ccc2c(Cl)cc(=O)oc2c1
Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)Cc3nnnn3C3CCCCC3)cc12
CC1(C)Oc2ccc(cc2N(CC(=O)NC2CCCC2)C1=O)C(=O)NC1CCCC1
Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1
CCOc1cc(CO)ccc1OCC(=O)N1CCCCC1
COc1ccc(CN(C(C(=O)NC(C)(C)C)c2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1
COc1cc(COCC(O)CN2CCOCC2)cc(OC)c1OC
O=c1oc(nc2n(ncc12)-c1ccccc1)-c1ccco1
Oc1cn(Cc2ccccc2)\c(=N\Cc2ccco2)s1
COc1cccc(Cn2c(NCc3ccco3)nc3n(C)c(=O)n(C)c(=O)c23)c1
O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12
CC(=O)Oc1oc(nc1C=Nc1ccccn1)-c1ccccc1 |w:10.11|
CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F
Brc1cccc(NC(=O)CCN2CCCC2)c1
Cn1nccc1C(=O)Nc1ccccc1C(O)=O
COc1ccc(cc1OC)C1C(C(C)=O)C(=O)C(=O)N1c1nccs1
O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccco1
CC1=C(C(N2C(=O)CCSC2=N1)c1cccs1)C(=O)OCC=C |c:11,t:1|
Cc1nc(SCC=C)[nH]c(=O)c1CC=C
Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1cccs1
Cn1c2nc(Br)n(CCSc3ncccn3)c2c(=O)n(C)c1=O
COc1ccc(cc1)-n1ncc2c(NCc3ccccn3)ncnc12
CN(C)CCCN1C(C(C(=O)c2ccc3OCCOc3c2)C(=O)C1=O)c1ccc(C)o1
CN1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1ccco1
CN(C)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1
CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCN(C)C)C(=O)C2=O)c2cccc(OC)c2OC)c1C
COc1ccc(C=Nn2c(=O)[nH]c3c4cc(C)ccc4[nH]c3c2=O)cc1CN1CCOCC1 |w:7.7|
CCOCCCn1cnc2n(-c3ccccc3)c3nc4ccccc4nc3c2c1=O
CCC(C)[C@H](NC(=O)Nc1ccc(cc1)C(C)=O)C(=O)OC
CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(CC)cc1 |w:5.4|
CCCc1nc2n[nH]c(N)c2c2CCCc12
OCCCN1C(c2c(oc3ccccc3c2=O)C1=O)c1cccc(F)c1
Clc1cccc2[nH]c3c(ncn(CCN4CCCCC4)c3=O)c12
COC(=O)CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
CCOC(=O)C1C(=N)Oc2c(c(=O)oc3ccccc23)C11C(=O)N(C)c2ccccc12
CN(Cc1ccccc1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCCSc1ncccn1
COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1
Cc1cc2OC(=N)C(C#N)C(Cc3ccccc3)c2c(=O)n1C
COC(=O)Cc1c(C)nc2nc[nH]n2c1=O
Cn1c2nc(CN3CCc4ccccc4C3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
Fc1ccc(cc1)C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1
Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)nc12
COC(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)[nH]1
[H]C12CC([H])(C(C=Nn3cnnc3)=CC1)C2(C)C |w:7.7,c:13,THB:6:5:15:2|
COc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(cs2)-c2ccccc2)CC1
c1coc(c1)-c1nc2ccccc2nc1-c1ccco1
COCc1c(oc2ccccc12)C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1
Cc1cc(C)n(N=Cc2ccccc2)c(=O)c1C#N |w:6.5|
Clc1ccc(s1)-c1csc(NC(=O)c2cccs2)n1
O=C(Cn1nnc(n1)-c1ccccc1)OCc1csc(n1)-c1ccccc1
O=C(NCc1ccco1)c1c2CCCc2nc2ccccc12
CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCCc1ccc(cc1)S(N)(=O)=O
CN(C)c1cccc(c1)C(=O)n1cc(cn1)C(=O)c1cc(F)ccc1O
Cc1cc(C(=O)Nc2ccc(cc2)N2CCOCC2)c2ccccc2n1
CCOc1cc(C=Nn2cnnc2)cc(Br)c1O |w:7.7|
CCOC(=O)c1ccc2n(CC)c(nc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1
Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F |(4.02,.44,;4.34,1.94,;3.31,3.09,;4.08,4.42,;5.59,4.1,;6.73,5.13,;5.75,2.57,;7.08,1.8,;7.08,.26,;8.41,-.51,;9.75,.26,;11.08,-.51,;12.46,.31,;13.85,-.48,;13.85,-2.08,;12.46,-2.87,;11.08,-2.05,;9.75,-2.82,;9.75,-4.36,;8.41,-2.05,;7.08,-2.82,;7.08,-4.36,;5.75,-5.13,;4.41,-4.36,;3.08,-5.13,;4.41,-2.82,;5.75,-2.05,;5.75,-.51,)|
Cc1ccc(cc1)-n1c(O)c(sc1=O)N(CC(O)=O)c1cccc(C)c1
COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1
CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2OCOc2c1
Cn1cnnc1SCc1ccc(cc1)C(=O)n1ncc(C#N)c1N
Cc1noc(C)c1CSCC(=O)Nc1cccc(C)c1C
COc1ccc(cc1)C(=O)n1cnc(N)n1
COCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
CCOC(=O)CNC(=O)Cn1cnc2n(nnc2c1=O)-c1cccc(Cl)c1
CC(=O)Nc1nonc1NC(=O)CSc1ccccn1
OC1CCCN(C1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
COc1cccc(C(=O)Oc2cc(N)n(n2)S(=O)(=O)c2ccc(C)cc2)c1OC
Cn1c2c(CCSC2=O)c2ccccc12
O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(Oc2ccccc2)cc1
O=C(NCc1ccco1)c1scc2OCCOc12
CN(C)\C=C1/C=C(OC1=O)c1ccccc1 |c:5|
Cc1c(sc2ncnc(N3CCc4ccccc4C3)c12)C(=O)N1CCOCC1
Cc1ccc(c(C)c1)-n1ncc2c1nc[nH]c2=O
CCN1C(=O)c2[nH]nc(C(=O)OC)c2C1=O
CN(C)CC(N=O)C(=O)Nc1ccc(C)cc1
Cc1ccc2nc(NC(=O)C3CCCN(C3)S(=O)(=O)c3cccc4nsnc34)sc2c1
O=C(CSC1=NCCS1)Nc1nc2CCCCc2s1 |t:4|
[H]C12CC3([H])CC([H])(C1)CC(CC(=O)NC(C(C)C)C(O)=O)(C2)C3 |TLB:8:6:23:1.22.2,8:1:23:6.9.5,THB:5:6:22:3.23.2|
O=C(NCCN1CCc2ccccc2C1)C1CN(C2CCCC2)C(=O)C1
O=C(N1CCCCCC1)c1ccc(cc1)N1CCCC1=O
COc1ccc(cc1F)C1=CSC2=NCCN12 |t:10,13|
CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(COC)o1
Cc1cc(-c2nsc(=O)o2)c(s1)S(C)(=O)=O
COc1ccc(cc1Br)C1C(C(O)=O)c2ccccc2C(=O)N1C
Clc1ccc(cc1)-n1ncc2c1nc(SCC(=O)N1CCCc3ccccc13)[nH]c2=O
CC(C)c1ccc(O)c(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)c1
COc1ccc(cc1OC)C1=NOC(C1)C(=O)Nc1ccc(C)cc1 |t:11|
COC(=O)c1ccc(Nc2nc(C)cc(=O)[nH]2)cc1
CC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12
COC(=O)c1cccc(NC(=O)CSc2nnc[nH]2)c1
Nc1c(cnn1Cc1ccc(Cl)cc1)C#N
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC=C)c1ccc(F)cc1
CCSc1ccccc1C(=O)n1nnc2ccccc12
O=c1n(Cc2ccccc2)cnc2c(C#N)c3CCCCn3c12
CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1
Cc1ccc(NC(=O)CSCC(N)=O)cc1C
Cc1cnn(c1)C(=S)NCc1ccc(Cl)cc1
NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCc12
CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Cc1ccc(o1)C1C(C(=O)OCC2CCCO2)C(C)=NC2=C1C(=O)CC(C2)c1ccc(F)cc1 |c:20,22|
COc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1OC
Cc1ccc(C)c(c1)C(=O)n1cnnc1N
COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1
Cc1ccc(o1)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(C)cc1 |c:17,20|
Cc1cc(C)n(n1)C(=O)CNc1cccc(Cl)c1C
CNC(=O)c1ccc(cc1)N(Cc1ccccc1)S(C)(=O)=O
COc1ccc(cc1OC)N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O
CN(C)\C=C\c1c(C#N)c(=O)ncn1Cc1ccccc1
Cc1nnc(NC(=O)c2oc3cc(C)ccc3c2C)s1
O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2OCOc2c1
Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
COc1cc(Cl)c(C)cc1NC(=O)CSC
c1csc(c1)-c1nc2ccccc2[nH]1
COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2CCCc12
COc1ccccc1C(=O)n1nc(nc1N)-c1ccccc1
COc1cc(NC(=O)C2CC=CCC2C(O)=O)c(OC)cc1Cl |c:10|
COc1ccc(cc1OC)C(=O)n1nc(C)cc1C
Clc1ccc(cc1Cl)C1=NOC(C1)C(=O)N1CCC2(CC1)OCCO2 |t:9|
COc1cc(C)c(cc1C)S(=O)(=O)NCc1cccs1
COC(=O)CSc1nnc(-c2sc3cc(OC)ccc3c2Cl)n1C
CCOCCn1c(nc2ccccc12)-c1ccc(OC)cc1
[H]C12CC([H])(C=C1)C1C2C(=O)N(CCNC(=O)Nc2ccccc2)C1=O |c:5,TLB:24:7:2:6.5,THB:9:8:2:6.5|
CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1
COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1
CC(C)CC(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)Nc1nc(C)cs1
CSc1nc(nn1C(=O)c1ccco1)-c1ccco1
CCOc1ccc(cc1)N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)noc1C
COc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)nn(C)c1C
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 |t:24|
Cc1nc2nc(C)cc(Nc3ccc(C)c(C)c3)n2n1
COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1
COc1ccc2-c3onc(C(=O)NCc4ccc(F)cc4)c3CCc2c1
CC1CN(CCN1c1cccc(C)c1)C(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
Nc1nc(nn1C(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
Cc1oc(nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1)-c1ccc(C)cc1
COc1ccc(cc1)C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2ncnn12 |c:24|
Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1
Cc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(Br)cc1 |c:14|
CCOc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)noc1C
CC(=O)N1CCc2c(C1)sc(NC(=O)C1CC1)c2-c1nc2ccccc2s1
Clc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N2CCOCC2)cc1
COc1ccc(cc1)C1CC(n2nc(cc2N1)C(=O)Nc1ccc2OCOc2c1)C(F)(F)F
OC(=O)CC(Cc1ccc(Br)cc1)C(O)=O
CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2CCCCc12
CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
Cc1cc(C)cc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1
CS(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)C(=O)NC1CCCCC1O
CC(C)(C)SCCNS(=O)(=O)c1ccccc1
Cc1nc2scc(-c3cccs3)c2c(=O)o1
FC(F)C(F)(F)C(F)(F)C(F)(F)c1cc(n[nH]1)-c1ccccc1
CN(C)c1ccc(cc1)C(=S)N1CCOCC1
CN(C(=O)Oc1cccc2cccnc12)c1ccccc1
COc1ccccc1NC(=O)CSc1nnnn1C
COc1ccccc1N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1
Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O
COc1cc(OC)cc(c1)C(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
[#6]-[#6](-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]=O |w:4.3|
Nc1c(sc(=S)n1-c1ccccc1)C(=O)NCc1cccnc1
CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F
CCC(=O)OCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CCOC(=O)CC)c3=O
COc1cc(C=Nn2cnnc2)ccc1OC(=O)c1cccnc1 |w:6.6|
O=C(c1ccc2OCOc2c1)n1nnc2ccccc12
CCC(C)NC(=O)C1CN(CCN1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)S(=O)NC1CCCCC1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
CC(=O)c1sc2ccccc2c1OC(=O)c1ccco1
COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C
C(Nc1nc(cs1)-c1cccnc1)c1ccco1
Brc1ccc(o1)C(=O)NCc1ccncc1
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N
Cc1onc(c1C(=O)n1cc(Br)cn1)-c1ccccc1
Fc1ccc(OCc2ccc(o2)C(=O)n2cc(Br)cn2)cc1
Clc1cncc(OC(=O)c2ccco2)c1
COc1ccc(cc1OC)C(=O)n1nnc2ccccc12
COc1ccc(cc1OC)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O
Cc1ccc(OCc2nnc(SCC(O)=O)n2N)cc1
Fc1ccccc1N1CCN(CC1)S(=O)(=O)N1CCCCC1
O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1ccc2OCOc2c1
Cc1cc(-n2ccnc2)n2c(nc3ccccc23)c1C#N
CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1
COC(=O)C(C=Nc1ccccc1)[N+]([O-])=O |w:6.6|
CC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1
COC(Cn1c(C)c(C(C)=O)c(C(C)=O)c1C)OC
Cc1cc(C(C#N)c2cccc(Cl)c2)n2ncnc2n1
CCOC(=O)c1sc(nc1C)N(C)C(C)=O
CC(=O)Nc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1
COCCN(C(=O)C1CC1)c1nnc(s1)-c1ccc(C)cc1
Brc1ccc(o1)-c1nc2ccccc2c(=O)o1
CC(C)Cn1c(nc2ccccc2c1=O)-c1ccccc1
CC1(C)C2(C)CCC1(OC2=O)C(=O)NC(c1ccccc1)c1ccccc1 |TLB:10:9:1:5.6|
C[O+]=N[CH-]c1ccc(Sc2ccccc2N)c(c1)[N+]([O-])=O |w:1.0|
CC1=NC2=C(C(C1C(=O)OCC1CCCO1)c1cccc(c1)C(F)(F)F)C(=O)CC(C2)c1ccco1 |c:3,t:1|
CCOc1ccc(CNc2ncnc(N)n2)cc1
C[n+]1ccn(c1)C(=O)N(c1ccccc1)c1ccccc1
Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12
OC(=O)CC(=O)Nc1ccccc1C(O)=O
Cc1c(NC(=O)c2ccc(Br)o2)cccc1C(O)=O
CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)C2CC2)c(OC)cc1Cl
CCC(C)NC(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1
Cc1ccc(NC(=O)CCn2cccc2)cc1C
Cc1cc(Br)c2[nH]c3c(CCCC3=O)c2c1
CCOC(=O)CSc1snnc1-c1ccccc1
[#6]-[#8]-c1cc(\[#6]=[#6](\[#6](-[#6])=O)-[#6](-[#6])=O)ccc1-[#8]
CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
Cc1ccc(NC(=O)NCc2ccc3OCOc3c2)cc1
CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1 |w:13.12|
Cc1cccc(NC(=O)c2cc(ccc2Cl)-n2c(O)ccc2O)n1
COc1ccc(cc1)N1C(=O)C(Cl)=C(N2CCCC(C)C2)C1=O |t:13|
CCC(CC)c1nnc(NC(=O)Oc2ccccc2)s1
COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C
COc1ccc2c3ccc(OCC(=O)N4CCc5ccccc5C4)c(C)c3oc(=O)c2c1
Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
CCCCCOC(=O)Nc1nnc(CCCCC)s1
CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12
CC(C)N=CC1C(=O)Nc2ccccc12 |w:3.2|
COc1ccc2-c3nc(NC(=O)c4ccc(C)cc4)sc3CCc2c1
CC1CCCN(C1)C(=O)C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
CCCOc1ccc(cc1)C(=O)NC(C)C(O)=O
COc1ccc(\C=C2\SC(=S)N(C2=O)n2c(C)ccc2C)cc1
Cc1c(NC(=O)CSc2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C
CCc1c(C)nc(N)nc1N1N=C1SCC#N |c:12|
Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1
Cc1cc(C)c(O)c(c1)-c1cc([nH]n1)C(=O)NCc1ccc2OCOc2c1
COC(=O)Cc1c(C)nc2nc([nH]n2c1=O)-c1ccc(C)cc1
Fc1ccc(cc1)C(=O)Nc1ncnc2sc3CCCCCc3c12
[H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(=O)Nc1ccccc1 |c:4|
CCCCc1[nH]c(=O)c(C#N)c2CCCCc12
CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
COc1ccc(OC)c(NC(=O)CC2N(CCNC2=O)C(=O)Nc2cccc(Cl)c2)c1
O=C1OC(Nc2ncccn2)c2ccccc12
Cc1csc(NC(=O)Cc2c[nH]c3ccccc23)n1
CCOc1ccc(cc1)-n1c(SCC(=O)Nc2cc(C)on2)nnc1-c1c[nH]c2ccccc12
CCC(CO)n1c(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc2c1=O
Clc1cnc(C(=O)Nc2nc(cs2)-c2ccccn2)c(Cl)c1Cl
NC(=O)C(=NOC(=O)c1ccco1)c1nc(cs1)-c1ccc(Br)cc1 |w:4.4|
CC(C)(C)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O
Clc1cc(Cl)c(cc1C(=O)Nc1nnc(s1)-c1ccccc1)S(=O)(=O)N1CCOCC1
Cc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1
COC(=O)c1c(NC(=O)c2c(C)onc2-c2ccccc2Cl)sc2CCCc12
Oc1c(O)c(=O)cc[c-]1C=[NH+]NC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(cc1)[N+]([O-])=O |w:10.11,24.26|
COCCNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
Cc1cc(NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)c2c(Cl)cccc2Cl)no1
Cc1ccc(cc1)N=Cc1c(O)n(-c2ccc3OCOc3c2)c(=O)c2ccccc12 |w:7.7|
CN(CC(=O)Nc1cc(C)ccc1C)C(=O)CCN1C(=O)c2ccccc2C1=O
Clc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1
O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)N1CC(=O)Nc2ccccc12
Cc1sc(NC(=O)c2ccco2)c(CN2CCN(CC2)c2ccc(F)cc2)c1C
FC(F)Oc1ccccc1NC(=O)COC(=O)COc1ccccc1Cl
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1
COC(=O)c1sccc1NC(=O)\C=C\c1c(Cl)cccc1Cl
COC(=O)c1nnc(NC(=O)c2ccccc2Cl)[nH]1
COc1cccc(C=Nn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)c1OC |w:8.8|
CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1
CCOC(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)[nH]1
Cc1cccc(c1)C(=O)ON=C1CCS(=O)(=O)c2sccc12 |w:10.10|
CCOC(=O)C[n+]1c(C)sc2ccc(OC)cc12
Cc1ccc(CN=Nc2nc3ccc(Cl)cc3[nH]2)o1 |w:7.7|
Cc1ccc(o1)C(=O)NCCNc1ccc(Cl)cc1[N+]([O-])=O
O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1cccs1)Nc1nccs1
[O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
CN1C(=O)C(=NOC(=O)c2ccccc2)c2ccccc12 |w:5.5|
[O-][N+](=O)c1cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccccc2Cl)ccc1Cl
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1
Fc1ccccc1C(=O)NC1CCN(CC1)C(=O)N1c2ccccc2Sc2ccccc12
Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)nc(C)n1
CCOC(=O)CSc1nnc(NC(=O)c2ccccc2)[nH]1
COc1ccc(cc1)C(=O)Oc1cc(C)nn2cnnc12
CC1(C)CC(=O)C=C(C1)OC(=O)c1ccc(Cl)cc1 |c:6|
CCOC(=O)C(C(=O)NCc1cccc(OC)c1)c1ncc(cc1Cl)C(F)(F)F
CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1cccc(Cl)c1
Cc1ccc(cc1)C(=O)OC1=CC(=O)CC(C)(C)C1 |t:11|
Cc1ccccc1Cn1cnc2c(NS(C)(=O)=O)c(C)c(C)cc12
CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(Cl)c(Cl)c1
CC1(C)CC(=O)C=C(C1)NNC(=O)c1ccccc1O |c:6|
Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)c1ccccc1
Cc1cc(C)c(C)c(c1C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12
Cc1ccc(cc1)-c1nn(cc1C=NNS(=O)(=O)c1ccccc1)-c1ccccc1 |w:13.15|
Cc1ccc(cc1)C(=O)ONc1ccc(cc1)N=O
CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1
Cc1cc([nH]n1)C(=O)NN=Cc1cccc(OC(=O)c2ccco2)c1 |w:9.9|
C\C(=C/c1ccccc1)C(=O)n1nnc2ccccc12
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCC1=CCCCC1)Cc1ccccc1 |t:18|
CCN1C(C)=C(C(=O)OC)\C(=C\c2ccco2)C1=O |t:4|
COc1cc(cc(OC)c1OC)C(=O)ON=C1C=CC(=O)C(C)=C1 |w:15.15,c:18,23|
Clc1ccc(Cl)c(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1
Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccco1
CN1C(=O)C(=NOC(=O)c2cccc(C)c2)c2ccccc12 |w:5.5|
Fc1ccccc1C(=O)Nc1ccc(cc1)C1(CCCC1)C#N
Cc1nn2c(CN(C(=O)CN3CCOCC3)c3ccccc3)nnc2c2ccccc12
Cc1ccc(c(C)c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
Cc1ccc(C)c(c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
COC(=O)CC1N(CCNC1=O)C(=S)Nc1cccc(C)c1
Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1C
O=C1N(OS(=O)(=O)c2ccccc2)C(=O)c2ccccc12
Cc1ccc(cc1)C(=O)N\C(=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O)C(=O)NC(C)(C)C
COc1cc(cc(OC)c1OC)C(=O)ON=C1C=C(C)C(=O)C=C1C |w:15.15,c:23,t:18|
COc1cc(cc(OC)c1OC)C(=O)ON=C1C=CC(=O)C=C1C |w:15.15,c:18,22|
O=C(C[n+]1cc(-c2ccccc2)n2CCCc12)Nc1nc(cs1)-c1ccccc1
Cc1ccc(CSc2ncnc3n(ncc23)-c2ccc(C)cc2)cc1
ClCCCN1CCc2cc(\C=C3/C(=O)NC(=S)N(C4CC4)C3=O)ccc12
CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1ccccc1)c1ccccc1 |w:3.3,13.13|
Fc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
[O-][N+](=O)c1cccc(NC(=O)COC(=O)\C=C\c2ccco2)c1
Clc1ccc(cc1)-c1nnc(SCC(=O)Nc2cccnc2Cl)n1CC=C
NC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N
O=C(COc1ccccc1)NCC(=O)NN=Cc1ccccc1 |w:15.15|
COc1ccccc1CC(=O)NN1C(=O)c2ccccc2C1=O
[#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8]-[#6])-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:24,t:18|
CCc1nnc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)s1
O=C(Oc1ccc2ccc(=O)oc2c1)c1cccs1
COc1ccccc1OCC(=O)NNC(=O)c1cccs1
COc1cccc(NC(C(=O)Nc2cccc(c2)C(C)=O)c2ccccc2)c1
COc1ccc(C2=[N+](C)CCn3cccc23)c(OC)c1 |c:6|
Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCc2ccccc12
COc1ccc(cc1)[C@H]1C[C@@]11N=C(OC1=O)c1ccccc1 |c:13|
COC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N
CCN(CC)c1ccc([CH+][N-]NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1
Fc1ccc(NC(=O)Cn2c(\C=C\c3ccccc3)nc3ccccc23)cc1
C(Nc1ncnc2scc(-c3ccccc3)c12)C1COc2ccccc2O1
Nn1c(Cc2cccc3ccccc23)nnc1SCCOc1ccc(F)cc1
[H]C12CCC([H])(C1)C(CC(=O)OCc1nnc(o1)-c1cc(nc3ccccc13)-c1ccc(OC)c(OC)c1)C2 |TLB:8:7:6:3.2|
Nc1ccnn1Cc1cccs1
Clc1ccc(s1)C(=O)COC(=O)c1ccc2ccccc2n1
Clc1ccc(cn1)C(=O)OCC(=O)N1CCCc2ccccc12
Cc1ccsc1C(=O)NCCC(c1ccccc1)c1ccccc1
CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1
COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccccc1Cl
COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccc(C)cc1
O=C(Oc1cc(=O)n2ccccc2n1)c1ccccc1
CCCC(=O)NNC(=O)c1ccoc1C
Brc1ccc(C=NNC(=O)CCC(=O)NCc2ccccc2)s1 |w:6.6|
Cc1c(C)c2ccccc2n1CCC#N
Cc1ccc([CH+][N-]NC(=S)NCC=C)cc1[N+]([O-])=O
CCOC(=O)c1cn(Cc2ccccc2)nn1
CCOC(=O)C(C)C1=NC(C)(C)Cc2ccccc12 |t:7|
[H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)NC1CC(C)CC(C)(C)C1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
CCOC(=O)c1cnn(C(=O)c2ccccc2)c1N
CCN1CCN(CC1)C(=O)\C=C\c1c(F)cccc1Cl
CN(C)C(=O)c1sc(NC(=O)c2ccc(c(C)c2)[N+]([O-])=O)nc1C
COc1cc2nc(COc3ccccc3[N+]([O-])=O)oc(=O)c2cc1OC
COc1ccc(N2CCCn3c2nc2n(C)c(=O)n(Cc4ccc(C)cc4)c(=O)c32)c(OC)c1
CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccc(C)cc1
NC1=NC(=NNc2nc(cs2)-c2ccc(Cl)cc2)c2ccccc12 |w:4.4,t:1|
COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)CCCC(O)=O |t:9|
CN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1
Cc1cc(C)c(C#N)c(SCc2ccc(cc2)[N+]([O-])=O)n1
Cc1ccc(Cn2cc(C=NNC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c3ccccc23)cc1 |w:10.10|
CSc1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12 |c:13|
COc1cc(cc(Cl)c1OC)C(N)=O
CSc1ccccc1C(=O)C1CCCN(C1)S(=O)(=O)N(C)C
Cc1cccc(c1)C(=O)n1cnnc1N
COc1ccc(cc1O)C1N(CCN1c1ccccc1)c1ccccc1
Fc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
CCCCCCCCCC(=O)Nn1cnc2ccccc2c1=O
COC(=O)c1ccc(NC(=S)Nc2ccc(O)cc2)cc1
COc1ccc(cc1OC)C1N(CCc2cc(OC)c(OC)cc12)S(C)(=O)=O
COc1cccc(NC(=O)Nc2cccnc2)c1
COc1ccccc1C(=O)n1nc(nc1SC)-c1ccco1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCNc1ccccc1[N+]([O-])=O
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(ccc1C)C(O)=O
[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Fc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1
COc1ccc(cc1)C(=O)NN=Cc1cc2ccccc2[nH]c1=O |w:11.11|
Cc1nn(CC(=O)N2CCc3ccccc3C2)c(C)c1[N+]([O-])=O
Fc1cc(F)c2nc(sc2c1)N1CCCC1
FC(F)(F)c1cc(nc(SCC(=O)NCCN2CCOCC2)n1)-c1ccco1
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)S(=O)(=O)c1ccccc1 |t:8|
Nc1nnc(SCn2nnc3ccccc3c2=O)[nH]1
COc1ccc(Nc2nnc(SC(C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cc1
O=C(NCCc1ccccc1)c1cc(=O)c2ccccc2o1
S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1 |w:12.13,15.17|
COc1ccc(Cl)cc1NC(=S)NNC(=O)C1(C)CC1(Cl)Cl
Nc1nc(nn1C(=O)c1ccccc1Cl)-c1cccnc1
NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+]([O-])=O)cc1
COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccccc1
CCCCn1nnc(n1)N(C(=O)c1cccs1)C(=O)c1cccs1
CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1
FC(F)(F)c1ccccc1NC(=O)COc1ccc(C=O)cc1
COC(=O)c1ccccc1NC(=O)Nc1cc(C)ccn1
Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1cccnc1
COc1cccc(NC(=O)Nc2ccccc2SC)c1
[O-][N+](=O)c1ccccc1CC(=O)Nc1ccccc1C(=O)N1CCCC1
COc1cccc(CN2CCNC(=O)C2CC(=O)N2CCCC2(CC=C)CC=C)c1OC
CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1
O=C(C1CCCN(Cc2nc(no2)-c2cnccn2)C1)c1cccnc1
CCOC(=O)C1(Cc2cccc(F)c2)CCN(CC1)C(=O)Cn1cnnn1
CN(Cc1nc(no1)-c1ccc(Cl)cc1)Cc1ccccn1
CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)c1C
COc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1cnccn1
Cc1cc(CNC(=O)CC2N(CC(c3ccccc3)c3ccccc3)CCNC2=O)on1
COC(c1nnc(CCC(=O)N(C)Cc2cccc(c2)-n2cccn2)o1)c1ccccc1
CCCn1cc(CN2CCCC(C2)C(=O)c2cccc(OC)c2)c(C)n1
Cc1ncc(CN2CCCC(C2)C(=O)c2ccc(cc2)C(C)(C)C)s1
COc1cc(cc(OC)c1OC)-c1nnco1
COc1ccc(NC(NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1
CNS(=O)(=O)c1cc(ccc1OC)C(O)=O
[O-][N+](=O)c1cccc(Nc2nc(OCC#C)nc(OCC#C)n2)c1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccncc1
Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
Cc1cc(NC(=O)CCN2C(=S)S\C(=C/c3ccccc3F)C2=O)no1
NC(=O)c1c(N)sc2CCCc12
CN1CCN(CC1)c1ncnc(Cl)c1N
CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccc2OCOc2c1
Clc1ccccc1CN1CCN(CCCc2ccccc2)CC1
OC(=O)Cc1ccc(NC(=O)CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
CCCC(C)NC(=O)Cc1ccccc1
Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=S)NCCCN1CCOCC1
CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1
O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)NCc1cccnc1
Nc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1
COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1
Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1ccco1
CC(=O)NNC(=S)NC(=O)c1ccccc1
COC(=O)c1ccc(cc1)C(N(CCN1CCOCC1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1
CS(=O)(=O)c1nnc([nH]1)-c1ccc(Br)cc1
CN(N=Cc1ccc2OCOc2c1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1 |w:2.1|
CN(C)c1ccc(cc1)C(=O)NN1C(=O)c2ccccc2C1=O
CCCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1
[O-][N+](=O)c1cc(ccc1Cl)C(=O)O[N-]C(=[NH2+])c1ccccn1
COc1ccc(OC)c(CNc2ccc(cc2C)[N+]([O-])=O)c1
CC1CCOC2(O1)C(=O)Nc1ccccc21
Fc1ccccc1CN(Cc1ccccc1)C(=S)NCC(=O)NCCc1ccccc1
COc1ccc(CCNC(=O)CCn2c(=O)n(CC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1OC
Clc1c2CCCCc2nc2cc(ccc12)C(=O)NCCCN1CCCC1
CCOc1ccc(cc1)N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
O=C1N=C(Nc2ccccc2)SC1=Cc1cccs1 |w:13.15,t:2|
Fc1ccccc1NC(=S)NN=C1C(=O)N(CC=C)c2ccc(cc12)S(=O)(=O)N1CCOCC1 |w:11.11|
COc1ccc(\C=C\C(=O)Oc2cc(C)[nH]c(=O)c2[N+]([O-])=O)cc1OC
CCC1SC(CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O
Clc1ncc(COc2ccc(C=NNC(=O)c3ccncc3)cc2)s1 |w:12.12|
COc1ccc(C=C(C#N)c2nnc(Cn3cncn3)[nH]2)cc1 |w:6.5|
COCCNCC(=O)Nc1nc(C)cs1
Brc1cccc(CN=Nc2nnn[nH]2)c1 |w:8.8|
[O-][N+](=O)c1cncc(c1Nc1ccccc1Cl)[N+]([O-])=O
Cc1nc2cc(NC(=O)N(CC=C)c3ccccc3)ccc2n1C
Nn1c(nc2ccccc2c1=O)C1CCCCC1
CC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)c(cc2[nH]1)[N+]([O-])=O
Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1
COc1ccc(CN2CCN(CC2)C(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)c(OC)c1OC |(4.41,-3.85,;4.41,-2.31,;5.75,-1.54,;7.08,-2.31,;8.41,-1.54,;8.41,,;9.75,.77,;11.08,,;11.08,-1.54,;12.42,-2.31,;13.75,-1.54,;13.75,,;12.42,.77,;15.08,-2.31,;15.08,-3.85,;16.42,-1.54,;16.42,,;17.75,.77,;19.08,,;20.42,.77,;21.75,,;23.09,.77,;23.86,-.56,;22.32,2.1,;24.42,1.54,;25.75,.77,;27.09,1.54,;27.09,3.08,;25.75,3.85,;24.42,3.08,;19.08,-1.54,;17.75,-2.31,;7.08,.77,;7.08,2.31,;5.75,3.08,;5.75,,;4.41,.77,;3.08,,)|
CC(=O)Nc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1
CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
O=C(Nc1nc2cc3OCOc3cc2s1)c1ccco1
CCC(C)NC(=O)CSc1ncnc2sccc12
COc1ccc(cc1OC)-c1cc(C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2n1
Cc1nc(SCc2ccccc2)c2ccsc2n1
CCC(=NNC(=S)NC(C)C)c1ccc(OC(F)F)cc1 |w:3.3|
CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=S)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
Fc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1
CC(=O)NC(CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1
Clc1cccc(NC(=O)NNC2=NCCCCC2)c1 |t:11|
COC(=O)c1nnc(NC(=O)c2ccc(F)cc2)[nH]1
NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1
[H]C12CCC(C)(c3c1c(nn3-c1ccccc1)C(=O)N1CCOCC1)C2(C)C |TLB:10:6:25:3.2,THB:8:7:25:3.2|
Cc1ccc(cc1)C(=O)n1ncn(C)c1=S
COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1
Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)-c1ccc(Br)cc1
Cc1ccc2nc(NCc3ccccc3)c(\C=N\Cc3cccnc3)c(=O)n2c1
COc1ccc(CCn2c(C)cc(C(=O)CCl)c2C)cc1OC
COc1ccc(cc1)C(=O)n1ncc(C#N)c1N
COc1ccc(CN(C)C(=S)Nc2ccc(Cl)cc2)cc1
CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)Nc1cc(C)on1
Fc1ccccc1C(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
COc1ccc(cc1NC(=O)CN(C)C1CCCCC1)S(=O)(=O)N1CCCCC1
COc1ccc(O)c(C=NNC(=O)c2cc(=O)[nH]c3ccccc23)c1 |w:9.9|
CC(C)N(Cc1ccccc1)C(=S)NC1CCCCC1
Oc1ccc(cc1)C(=O)OCC(=O)NCCCc1ccccc1
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N1CC(=O)Nc2ccccc12 |c:9|
COC(=O)c1nnc(NC(=O)c2ccccc2Br)[nH]1
[H]C12CCC([H])(C1)C(C2)C(C)n1cc(O)c(c1N)-c1nc2ccccc2[nH]1 |TLB:9:7:6:3.2|
FC(F)(F)c1nnc(NC(=O)c2cccs2)[nH]1
CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Cc1ccsc1C(=O)Nc1nnc([nH]1)C(F)(F)F
FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)CNCc2ccccn2)c1
CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C
CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)C(N)=O
CN(C)c1ccc(cc1)C(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
OC(=O)[C@@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)c1ccccc1 |wU:3.3,(5.75,2.99,;7.08,2.22,;8.41,2.99,;7.08,.68,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,-.09,;12.42,.68,;13.75,-.09,;13.75,-1.63,;15.08,-2.4,;16.42,-1.63,;16.42,-.09,;17.75,.68,;19.08,-.09,;20.46,.73,;21.86,-.06,;21.86,-1.66,;20.46,-2.46,;19.08,-1.63,;17.75,-2.4,;17.75,-3.94,;12.42,-2.4,;11.08,-1.63,;5.75,-.09,;4.41,.68,;3.08,-.09,;3.08,-1.63,;4.41,-2.4,;5.75,-1.63,)|
CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(O)=O)c1cccc(Cl)c1Cl |w:9.8|
OC(=O)c1ccc(cc1)N=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |w:9.9|
CCOc1ccc(cc1)N=C(N)Nc1nc(CSc2nnc(C)s2)cc(=O)[nH]1 |w:9.9|
[H][C@]12C(C(=O)N(CCC(O)=O)C1=O)C1([H])c3ccccc3C2([H])c2ccccc12 |wU:1.0,TLB:19:20:2.1:28.23,24:23:2.1:15.20,3:2:15.20:28.23,THB:27:28:2.1:15.20,11:1:15.20:28.23,16:15:2.1:28.23,(11.83,-3.34,;11.2,-2.26,;10.46,-.98,;9.02,-1.28,;7.92,-.3,;8.87,-2.75,;7.59,-3.49,;6.31,-2.75,;5.03,-3.49,;3.75,-2.75,;5.03,-4.96,;10.21,-3.35,;10.52,-4.79,;14.14,.65,;14.16,-.27,;13.6,2.64,;13.62,4.18,;12.29,4.96,;10.96,4.19,;10.97,2.65,;12.32,1.91,;13.76,-.78,;13.82,-1.69,;16.47,-1.9,;17.54,-3.01,;19.03,-2.62,;19.43,-1.13,;18.33,-.05,;16.85,-.47,)|
OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)N2CCCCC2)C1=O
OC(=O)c1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1
CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21
Clc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1-n1cc[n+](Cc2ccccc2)c1
NNC(=O)CN1c2ccc(Br)cc2C(=NCC1=O)c1ccccc1 |c:14|
CCOc1ccc(cc1)-c1c(C)n(c2CCCCC[n+]12)-c1ccc(OCC)cc1
[#6]C1([#6])[#8]\[#6](-[#8]C1([#6])[#6])=[#6]\[#6]=[#7]\c1ccc(Cl)cc1
Cn1ncc(Oc2ccc(cc2)[N+]([O-])=O)c(Cl)c1=O
OC(=O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1
COc1ccc(OC)c(CN=Nc2cc(C)nc(n2)N2CCOCC2)c1 |w:11.11|
NC(=S)C(=NNc1ccccc1)C#N |w:4.4|
COc1ccc(cc1)C1CC(=O)C(C(C2C(=O)CC(CC2=O)c2ccc(OC)cc2)c2ccc(O)cc2)C(=O)C1 |(17.75,9.24,;17.75,7.7,;16.42,6.93,;16.42,5.39,;15.08,4.62,;13.75,5.39,;13.75,6.93,;15.08,7.7,;12.42,4.62,;11.08,5.39,;9.75,4.62,;8.41,5.39,;9.75,3.08,;8.41,2.31,;8.41,.77,;9.75,,;11.08,-.77,;9.75,-1.54,;8.41,-2.31,;7.08,-1.54,;7.08,,;5.75,.77,;8.41,-3.85,;7.08,-4.62,;7.08,-6.16,;8.41,-6.93,;8.41,-8.47,;7.08,-9.24,;9.75,-6.16,;9.75,-4.62,;7.08,3.08,;7.08,4.62,;5.75,5.39,;4.41,4.62,;3.08,5.39,;4.41,3.08,;5.75,2.31,;11.08,2.31,;12.42,1.54,;12.42,3.08,)|
Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3)c(=O)[nH]c2c1
CSc1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1
CCOC(=O)CNC(=O)Cc1ccc(OC)cc1
Cc1ccc(cc1)N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1
Clc1ccccc1NC(=O)C1CN(C(=O)C1)c1ccccc1
[O-][N+](=O)c1ccccc1C=NNC(=O)c1ccc2nc[nH]c2c1 |w:10.11|
O=C(NC1CCSC1=O)C(c1ccccc1)c1ccccc1
[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#7]\[#7]-c2ccc(Br)cc2)-[#6](=O)-[#6]1
Brc1c(C[n+]2ccccc2)nc2ccccn12
CCOC(=O)C1=C(C)NC(=S)N(C1c1ccc(OC)c(OC)c1)C(C)=O |c:5|
COc1ccc(cc1OC)C(=O)CSc1nc2ncccc2[nH]1
COc1ccc2nc3ccccc3nc2c1N
C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1
Cc1ccsc1C=NNC(=O)c1ccc2OCCOc2c1 |w:7.8|
COc1cccc(c1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
Cc1ccc(cc1N)C(=O)C(=O)c1ccc(C)c(N)c1
Cc1cc2c(nc(oc2=O)-c2ccccc2Br)s1
CC(CNCCNc1ccc(cc1)[N+]([O-])=O)Oc1nonc1C
CCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1
Fc1ccc(SCCc2cccc[nH+]2)cc1
CC(C)Oc1ccc(cc1)C(CC(=O)NCCCN(C)C)c1ccc(C)cc1
CCOC(=O)C(=C\N=c1/ccc(C)cn1C)\C#N
COc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1 |(14.45,5.6,;13.97,4.14,;12.46,3.82,;11.43,4.96,;9.93,4.64,;9.45,3.17,;10.48,2.03,;10.01,.57,;8.5,.25,;8.18,1.75,;8.82,-1.26,;6.99,-.07,;6.52,1.39,;4.98,1.39,;4.5,-.07,;5.75,-.98,;5.75,-2.52,;4.41,-3.29,;3.08,-2.52,;4.41,-4.83,;5.75,-5.6,;7.08,-4.83,;7.08,-3.29,;8.62,-3.29,;11.99,2.35,)|
NS(=O)(=O)c1ccc(Cl)cc1[N+]([O-])=O
COc1ccc(\C=C2/N=C(C)OC2=O)cc1[N+]([O-])=O |t:8|
CCOC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O
CC(=NNC(=O)CCn1nnc2ccccc12)c1cccs1 |w:2.2|
O=C(CSc1nc2ccccc2s1)NC1CCCC1
CCC1=NN(C(=O)Cc2ccc(cc2)[N+]([O-])=O)C(O)(C1)C(F)(F)F |t:2|
COc1ccc(C=NNC(=O)CCn2cnc3ccccc23)cc1 |w:7.7|
Cc1n[nH]c(C)c1CCC(=O)NN=Cc1cccs1 |w:12.12|
CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl |w:9.10|
O=C(NCc1ccc2NC(=O)c3cccc1c23)c1cccs1
COC(=O)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1
COc1ccc(cc1)-n1c(O)cc(Nc2cccc(c2)[N+]([O-])=O)c1O
CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N1CCOCC1
COCCCn1c(=O)c(=Cc2ccccc2OC(C)C)s\c1=C(\C#N)C(=O)Nc1ccc(cc1)C(O)=O
Clc1cc(Cl)c(NNC(=O)c2n[nH]c(=O)c3ccccc23)c(Cl)c1
OC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:8|
OC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 |w:8.7|
Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(CC1)C(=O)c1ccco1
OCCn1c2ccccc2c2cc(ccc12)[N+]([O-])=O
O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccco1
Clc1ccc(CN2CCN(CC2)C2CC(=O)N(CCc3ccccc3)C2=O)cc1
CC(C)C[C@H](N)C(=O)NN=Cc1c(C)[nH]c(=O)[nH]c1=O |w:9.8|
CCC(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:14|
Fc1cccc(Cl)c1C(=O)NNc1cc(Cl)ccc1Cl
O=C(NCc1ccco1)c1ccc2OCCc2c1
Cc1ccc(cc1)C(=O)NCCN1CCNC1=O
Cc1ccc(cc1)S(=O)(=O)CCN1CCN=C(C=C1)C(F)(F)F |c:16,18|
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N(Cc1cccs1)Cc1ccccc1
OC(=O)CC1(CC(=O)NCc2ccncc2)CCCCC1
COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccs2)cc1
Cc1onc(c1-c1nnc(o1)-c1ccc(cc1)C(F)(F)F)-c1c(F)cccc1Cl |(11.58,1.83,;12.49,.58,;14.03,.58,;14.5,-.88,;13.26,-1.79,;12.01,-.88,;10.5,-.56,;9.36,-1.59,;8.03,-.82,;8.35,.68,;9.88,.85,;7.32,1.83,;5.81,1.51,;4.78,2.65,;5.25,4.12,;6.76,4.44,;7.79,3.29,;4.22,5.26,;3.19,6.41,;3.08,4.23,;5.37,6.29,;13.26,-3.33,;14.59,-4.1,;15.92,-3.33,;14.59,-5.64,;13.26,-6.41,;11.92,-5.64,;11.92,-4.1,;10.38,-4.1,)|
C1CCN(CC1)c1ccccc1-n1cccc1
COc1cccc2sc(N=CN(C)C)nc12 |w:9.8|
CN(NC1OC(=O)c2ccccc12)c1ncc(Cl)cc1C(F)(F)F
COc1cccc(NC(=S)Nc2ccc(Br)cc2Cl)c1
Cc1ccc(cc1)S(=O)(=O)Nc1cccnc1Oc1ccc(Cl)cc1
CC(C)(C)C(=O)N1N=C(Nc2ccccc2)SC1(C)C |t:7|
COc1ccccc1CC(=O)NCc1csc(n1)-c1cccs1
Cc1cc(=O)n2COCSc2n1
CN1CCN(CC1)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(O)=O)cn2)cc1
O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1csnn1
NS(=O)(=O)c1ccc(NNC(=O)c2sccc2Cl)cc1
COc1ccc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 |w:7.7|
COC(C[C@H](O)C[C@@H](O)[C@H](C)OCc1ccccc1)OC
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|
CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
N=C(N)c4ccc(CNC(=O)[C@H](CCC1CCNCC1)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc3ccccc3)cc4
CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(cc1)[C@H](C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1)c1ccccc1
CCOc1ccc(C[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 |TLB:10:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:12.21.13|
CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)\C=C\c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)N[C@@H](Cc2cccs2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(C)c2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2[nH]ccc2C)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2cccc(C)c2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2[nH]c(C)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)c(C)c2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2ccsc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H]([C@H](O)c2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H]([C@H](O)c2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc(OCC(F)(F)F)cc2)NC(=O)c2ccccc2)cc1
CSCCC(=O)N1CN(CN(C1)C(=O)CCSC)C(=O)CCSC
CSCC(=O)N1CN(CN(C1)C(=O)CSC)C(=O)CSC
CSCc1nc(CSC)nc(CSC)n1
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
CN(C)CCC[C@H]1CCCN[C@H]1C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r|
Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H]2NCCC[C@@H]2CCC[N+](C)(C)C)c(Cl)c1C |r|
COc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
NCc1ccc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2ccccc2Cl)cc1 |r|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:14.17,wD:27.38,(-5.19,8.59,;-3.85,9.36,;-3.85,10.9,;-2.52,11.67,;-1.18,10.9,;-1.18,9.36,;-2.52,8.59,;-2.52,7.05,;-1.18,6.28,;.15,7.05,;-1.18,4.74,;-2.52,3.97,;-2.52,2.43,;-1.18,1.66,;.15,2.43,;.15,3.97,;1.48,1.66,;1.48,.12,;2.82,2.43,;4.15,1.66,;5.48,2.43,;6.95,1.95,;7.85,3.2,;6.95,4.45,;5.48,3.97,;-1.18,.12,;.15,-.65,;-2.52,-.65,;-3.85,.12,;-5.19,-.65,;-6.52,.12,;-7.85,-.65,;-7.85,-2.19,;-6.52,-2.96,;-5.19,-2.19,;-2.52,-2.19,;-1.18,-2.96,;-1.18,-4.5,;.15,-5.27,;1.48,-4.5,;2.95,-4.02,;3.85,-5.27,;2.95,-6.52,;3.35,-8,;2.26,-9.09,;.77,-8.69,;-.32,-9.78,;.08,-11.27,;1.57,-11.67,;2.66,-10.58,;1.48,-6.04,;1.48,-2.96,;.15,-2.19,)|
Oc1nnc(o1)C1CCC(CC1)N[C@H](CC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:28.32,wD:13.14,(6.73,-8.23,;5.19,-8.23,;4.28,-9.48,;2.82,-9,;2.82,-7.46,;4.28,-6.99,;1.48,-6.69,;.15,-7.46,;-1.18,-6.69,;-1.18,-5.15,;.15,-4.38,;1.48,-5.15,;-2.52,-4.38,;-2.52,-2.84,;-3.85,-2.07,;-5.19,-2.84,;-6.52,-2.07,;-7.85,-2.84,;-7.85,-4.38,;-6.52,-5.15,;-5.19,-4.38,;-1.18,-2.07,;.15,-2.84,;-1.18,-.53,;-2.52,.24,;-2.52,1.78,;-1.18,2.55,;.15,1.78,;.15,.24,;1.48,-.53,;1.48,-2.07,;2.82,.24,;4.15,-.53,;5.48,.24,;6.95,-.24,;7.85,1.01,;6.95,2.25,;5.48,1.78,;-1.18,4.09,;.15,4.86,;-2.52,4.86,;-2.52,6.4,;-1.18,7.17,;-1.18,8.71,;-2.52,9.48,;-3.85,8.71,;-3.85,7.17,;-5.19,6.4,)|
Brc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:31.35,5.5,(-2.02,-8.66,;-2.02,-7.12,;-.69,-6.35,;-.69,-4.81,;.64,-4.04,;.64,-2.5,;-.69,-1.73,;-2.02,-2.5,;-3.36,-1.73,;-4.69,-2.5,;-4.69,-4.04,;-6.15,-3.56,;-7.06,-4.81,;-6.15,-6.05,;-6.55,-7.54,;-8.04,-7.94,;-9.13,-6.85,;-10.62,-7.25,;-11.02,-8.74,;-9.93,-9.82,;-8.44,-9.43,;-4.69,-5.58,;-3.36,-4.81,;-2.02,-4.04,;1.98,-1.73,;3.31,-2.5,;1.98,-.19,;.64,.58,;.64,2.12,;1.98,2.89,;3.31,2.12,;3.31,.58,;4.65,-.19,;4.65,-1.73,;5.98,.58,;7.31,-.19,;8.65,.58,;8.65,2.12,;10.11,2.6,;11.02,1.35,;10.11,.11,;1.98,4.43,;.64,5.2,;3.31,5.2,;3.31,6.74,;1.98,7.51,;1.98,9.05,;3.31,9.82,;4.65,9.05,;4.65,7.51,;5.98,6.74,)|
Cc1cccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c1Cl |r|
CC1(CO)CCC(CC1)N[C@H](CC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:25.28,wD:10.10,(1.88,-7.29,;1.48,-5.8,;2.97,-5.4,;4.06,-6.49,;.15,-6.57,;-1.18,-5.8,;-1.18,-4.26,;.15,-3.49,;1.48,-4.26,;-2.52,-3.49,;-2.52,-1.95,;-3.85,-1.18,;-5.19,-1.95,;-6.52,-1.18,;-7.85,-1.95,;-7.85,-3.49,;-6.52,-4.26,;-5.19,-3.49,;-1.18,-1.18,;.15,-1.95,;-1.18,.36,;-2.52,1.13,;-2.52,2.67,;-1.18,3.44,;.15,2.67,;.15,1.13,;1.48,.36,;1.48,-1.18,;2.82,1.13,;4.15,.36,;5.48,1.13,;5.48,2.67,;6.95,3.14,;7.85,1.9,;6.95,.65,;-1.18,4.98,;.15,5.75,;-2.52,5.75,;-3.85,4.98,;-3.85,3.44,;-5.19,2.67,;-6.52,3.44,;-6.52,4.98,;-5.19,5.75,;-5.19,7.29,)|
OCC1CCC(CC1)N[C@H](CC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:24.27,wD:9.9,(2.82,-7.7,;2.82,-6.16,;1.48,-5.39,;.15,-6.16,;-1.18,-5.39,;-1.18,-3.85,;.15,-3.08,;1.48,-3.85,;-2.52,-3.08,;-2.52,-1.54,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-1.18,-.77,;.15,-1.54,;-1.18,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;.15,1.54,;1.48,.77,;1.48,-.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;-1.18,5.39,;.15,6.16,;-2.52,6.16,;-3.85,5.39,;-3.85,3.85,;-5.19,3.08,;-6.52,3.85,;-6.52,5.39,;-5.19,6.16,;-5.19,7.7,)|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)Oc1cccc2ccccc12 |r,wU:9.9,wD:17.27,(1.48,.12,;1.48,1.66,;2.82,2.43,;4.15,1.66,;5.48,2.43,;6.95,1.95,;7.85,3.2,;6.95,4.45,;5.48,3.97,;.15,2.43,;.15,3.97,;-1.18,4.74,;-2.52,3.97,;-2.52,2.43,;-1.18,1.66,;-1.18,.12,;.15,-.65,;-2.52,-.65,;-3.85,.12,;-5.19,-.65,;-6.52,.12,;-7.85,-.65,;-7.85,-2.19,;-6.52,-2.96,;-5.19,-2.19,;-2.52,-2.19,;-1.18,-2.96,;-1.18,-4.5,;.15,-5.27,;1.48,-4.5,;2.95,-4.02,;3.85,-5.27,;2.95,-6.52,;3.35,-8,;2.26,-9.09,;.77,-8.69,;-.32,-9.78,;.08,-11.27,;1.57,-11.67,;2.66,-10.58,;1.48,-6.04,;1.48,-2.96,;.15,-2.19,;-1.18,6.28,;.15,7.05,;-2.52,7.05,;-2.52,8.59,;-1.18,9.36,;-1.18,10.9,;-2.52,11.67,;-3.85,10.9,;-5.19,11.67,;-6.52,10.9,;-6.52,9.36,;-5.19,8.59,;-3.85,9.36,)|
NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc2ccccc12 |r,wU:31.35,5.5,(-2.02,-8.66,;-2.02,-7.12,;-.69,-6.35,;-.69,-4.81,;.64,-4.04,;.64,-2.5,;-.69,-1.73,;-2.02,-2.5,;-3.36,-1.73,;-4.69,-2.5,;-4.69,-4.04,;-6.15,-3.56,;-7.06,-4.81,;-6.15,-6.05,;-6.55,-7.54,;-8.04,-7.94,;-9.13,-6.85,;-10.62,-7.25,;-11.02,-8.74,;-9.93,-9.82,;-8.44,-9.43,;-4.69,-5.58,;-3.36,-4.81,;-2.02,-4.04,;1.98,-1.73,;3.31,-2.5,;1.98,-.19,;.64,.58,;.64,2.12,;1.98,2.89,;3.31,2.12,;3.31,.58,;4.65,-.19,;4.65,-1.73,;5.98,.58,;7.31,-.19,;8.65,.58,;8.65,2.12,;10.11,2.6,;11.02,1.35,;10.11,.11,;1.98,4.43,;.64,5.2,;3.31,5.2,;3.31,6.74,;4.65,7.51,;4.65,9.05,;3.31,9.82,;1.98,9.05,;.64,9.82,;-.69,9.05,;-.69,7.51,;.64,6.74,;1.98,7.51,)|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2cncnc12 |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1ccccc1C#N |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1ccc2ccncc2c1 |r|
NCc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c(Cl)c1 |r|
COc1cc(CC#N)ccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
NCc1cccc(C[C@@H](NC2CCCCC2)C(=O)N2CCN(C[C@H]2C(=O)NCc2cccs2)C(=O)Oc2cccc3ccccc23)c1 |r|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2cccc3ccccc23)ccc1CN |r|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)C(CC1CCNCC1)NC1CCCCC1 |r|
NCc1ccc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2cccc3ccccc23)cc1 |r|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CC2CCCCC2)C(=O)Oc2cccc3ccccc23)ccc1CN |r|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2cccc3ccccc23)ccc1CN |r,wU:9.8,wD:17.26,(4,7.05,;5.33,6.28,;5.33,4.74,;4,3.97,;4,2.43,;2.67,1.66,;1.33,2.43,;,1.66,;,.12,;-1.33,2.43,;-1.33,3.97,;-2.67,4.74,;-4,3.97,;-4,2.43,;-2.67,1.66,;-2.67,.12,;-1.33,-.65,;-4,-.65,;-5.33,.12,;-6.67,-.65,;-8,.12,;-9.34,-.65,;-9.34,-2.19,;-8,-2.96,;-6.67,-2.19,;-4,-2.19,;-2.67,-2.96,;-2.67,-4.5,;-1.33,-5.27,;,-4.5,;1.46,-4.02,;2.37,-5.27,;1.46,-6.52,;1.86,-8,;.77,-9.09,;-.71,-8.69,;-1.8,-9.78,;-1.4,-11.27,;.08,-11.67,;1.17,-10.58,;,-6.04,;,-2.96,;-1.33,-2.19,;-2.67,6.28,;-1.33,7.05,;-4,7.05,;-4,8.59,;-2.67,9.36,;-2.67,10.9,;-4,11.67,;-5.33,10.9,;-6.67,11.67,;-8,10.9,;-8,9.36,;-6.67,8.59,;-5.33,9.36,;5.33,1.66,;6.67,2.43,;6.67,3.97,;8,4.74,;9.34,3.97,)|
Cc1ncnc2c(OC(=O)N3CCN([C@@H](C3)C(=O)NCc3cccs3)C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)cccc12 |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2cccnc12 |r|
Clc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c2ncccc12 |r|
Fc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c2ncccc12 |r|
Oc1ccc2cccc(OC(=O)N3CCN([C@@H](C3)C(=O)NCc3cccs3)C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)c2n1 |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2ncccc12 |r|
COc1cc(CN)ccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2CNCCc12 |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2CCNCc12 |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1ccc2CNCCc2c1 |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1ccc2CNCc2c1 |r|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
CC(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
CS(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2C(=O)NCCc12 |r|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r|
NCc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c2ccccc12 |r|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(Cc2ccccc2)CC1 |r|
CN([C@H](C1CCN(C)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl)C1CCCCC1 |r|
NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:31.35,wD:5.5,(-8.52,.12,;-7.19,-.65,;-5.85,.12,;-4.52,-.65,;-3.19,.12,;-1.85,-.65,;-1.85,-2.19,;-.52,-2.96,;-.52,-4.5,;.82,-5.27,;2.15,-4.5,;3.61,-4.02,;4.52,-5.27,;3.61,-6.52,;4.01,-8,;2.92,-9.09,;1.44,-8.69,;.35,-9.78,;.75,-11.27,;2.23,-11.67,;3.32,-10.58,;2.15,-6.04,;2.15,-2.96,;.82,-2.19,;-.52,.12,;.82,-.65,;-.52,1.66,;-1.85,2.43,;-1.85,3.97,;-.52,4.74,;.82,3.97,;.82,2.43,;2.15,1.66,;2.15,.12,;3.48,2.43,;4.82,1.66,;6.15,2.43,;7.62,1.95,;8.52,3.2,;7.62,4.45,;6.15,3.97,;-.52,6.28,;.82,7.05,;-1.85,7.05,;-1.85,8.59,;-.52,9.36,;-.52,10.9,;-1.85,11.67,;-3.19,10.9,;-3.19,9.36,;-4.52,8.59,)|
NCc1ccc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CC2CCCCC2)C(=O)Oc2ccccc2Cl)cc1Cl |r|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCC(N)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r,wU:9.8,wD:17.26,(4,2.69,;5.33,1.92,;5.33,.38,;4,-.39,;4,-1.93,;2.67,-2.7,;1.33,-1.93,;,-2.7,;,-4.24,;-1.33,-1.93,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.24,;-1.33,-5.01,;-4,-5.01,;-5.33,-4.23,;-6.67,-5,;-8,-4.23,;-9.34,-5,;-9.34,-6.54,;-8,-7.31,;-6.67,-6.54,;-4,-6.55,;-2.67,-7.32,;-2.67,-8.86,;-1.33,-9.63,;,-8.86,;1.33,-9.63,;,-7.32,;-1.33,-6.55,;-2.67,1.92,;-1.33,2.69,;-4,2.69,;-4,4.23,;-2.67,5,;-2.67,6.55,;-4,7.32,;-4,8.86,;-5.33,9.63,;-6.67,8.86,;-6.67,7.32,;-5.33,6.55,;-5.33,5,;-6.67,4.23,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;8,.38,;9.34,-.39,)|
FC(F)(F)CN1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
CS(=O)(=O)N1CCC(C[C@@H](NC2CCCCC2)C(=O)N2CCN(C[C@H]2C(=O)NCc2cccs2)C(=O)Oc2ccccc2Cl)CC1 |r|
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:35.39,wD:9.9,(-9.85,.12,;-8.52,-.65,;-9.29,-1.98,;-7.75,-1.98,;-7.19,.12,;-5.85,-.65,;-4.52,.12,;-3.19,-.65,;-1.85,.12,;-.52,-.65,;-.52,-2.19,;.82,-2.96,;.82,-4.5,;2.15,-5.27,;3.48,-4.5,;4.95,-4.02,;5.85,-5.27,;4.95,-6.52,;5.35,-8,;4.26,-9.09,;2.77,-8.69,;1.68,-9.78,;2.08,-11.27,;3.57,-11.67,;4.66,-10.58,;3.48,-6.04,;3.48,-2.96,;2.15,-2.19,;.82,.12,;2.15,-.65,;.82,1.66,;-.52,2.43,;-.52,3.97,;.82,4.74,;2.15,3.97,;2.15,2.43,;3.48,1.66,;3.48,.12,;4.82,2.43,;6.15,1.66,;7.48,2.43,;8.95,1.95,;9.85,3.2,;8.95,4.45,;7.48,3.97,;.82,6.28,;2.15,7.05,;-.52,7.05,;-.52,8.59,;.82,9.36,;.82,10.9,;-.52,11.67,;-1.85,10.9,;-1.85,9.36,;-3.19,8.59,)|
NCc1cccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c1Cl |r|
Clc1c(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)cccc1C#N |r|
NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl |r|
NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl |r,wU:31.35,wD:5.5,(-8.52,-1.04,;-7.19,-1.81,;-5.85,-1.04,;-4.52,-1.81,;-3.19,-1.04,;-1.85,-1.81,;-1.85,-3.35,;-.52,-4.12,;-.52,-5.66,;.82,-6.43,;2.15,-5.66,;3.61,-5.18,;4.52,-6.43,;3.61,-7.67,;4.01,-9.16,;2.92,-10.25,;1.44,-9.85,;.35,-10.94,;.75,-12.43,;2.23,-12.82,;3.32,-11.74,;2.15,-7.2,;2.15,-4.12,;.82,-3.35,;-.52,-1.04,;.82,-1.81,;-.52,.5,;-1.85,1.27,;-1.85,2.81,;-.52,3.58,;.82,2.81,;.82,1.27,;2.15,.5,;2.15,-1.04,;3.48,1.27,;4.82,.5,;6.15,1.27,;7.61,.8,;8.52,2.04,;7.61,3.29,;6.15,2.81,;-.52,5.12,;.82,5.89,;-1.85,5.89,;-1.85,7.43,;-.52,8.2,;-.52,9.74,;-1.85,10.51,;-1.85,12.05,;-3.19,12.82,;-4.52,12.05,;-4.52,10.51,;-3.19,9.74,;-3.19,8.2,;-4.52,7.43,)|
NCc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)c2ccccc12 |r,wU:13.15,wD:26.36,(-1.18,12.82,;-2.52,12.05,;-2.52,10.51,;-1.18,9.74,;-1.18,8.2,;-2.52,7.43,;-2.52,5.89,;-1.18,5.12,;.15,5.89,;-1.18,3.58,;-2.52,2.81,;-2.52,1.27,;-1.18,.5,;.15,1.27,;.15,2.81,;1.48,.5,;1.48,-1.04,;2.82,1.27,;4.15,.5,;5.48,1.27,;6.95,.8,;7.85,2.04,;6.95,3.29,;5.48,2.81,;-1.18,-1.04,;.15,-1.81,;-2.52,-1.81,;-3.85,-1.04,;-5.19,-1.81,;-6.52,-1.04,;-7.85,-1.81,;-7.85,-3.35,;-6.52,-4.12,;-5.19,-3.35,;-2.52,-3.35,;-1.18,-4.12,;-1.18,-5.66,;.15,-6.43,;1.48,-5.66,;2.95,-5.18,;3.85,-6.43,;2.95,-7.67,;3.35,-9.16,;2.26,-10.25,;.77,-9.85,;-.32,-10.94,;.08,-12.43,;1.57,-12.82,;2.66,-11.74,;1.48,-7.2,;1.48,-4.12,;.15,-3.35,;-3.85,8.2,;-5.19,7.43,;-6.52,8.2,;-6.52,9.74,;-5.19,10.51,;-3.85,9.74,)|
CC(C)CS(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
CCS(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(CC1)S(=O)(=O)C1CC1 |r|
CC(C)S(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(CC1)S(=O)(=O)c1cn[nH]c1 |r|
Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
CCC(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
CC(C)(C)CC(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(CC1)C(=O)c1cscn1 |r|
CC(C)(C)C(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl |r|
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl |r,wU:35.39,wD:9.9,(-8.52,-3.35,;-8.52,-1.81,;-9.85,-1.04,;-8.52,-.27,;-7.19,-1.04,;-5.85,-1.81,;-4.52,-1.04,;-3.19,-1.81,;-1.85,-1.04,;-.52,-1.81,;-.52,-3.35,;.82,-4.12,;.82,-5.66,;2.15,-6.43,;3.48,-5.66,;4.95,-5.18,;5.85,-6.43,;4.95,-7.67,;5.35,-9.16,;4.26,-10.25,;2.77,-9.85,;1.68,-10.94,;2.08,-12.43,;3.57,-12.82,;4.66,-11.74,;3.48,-7.2,;3.48,-4.12,;2.15,-3.35,;.82,-1.04,;2.15,-1.81,;.82,.5,;-.52,1.27,;-.52,2.81,;.82,3.58,;2.15,2.81,;2.15,1.27,;3.48,.5,;3.48,-1.04,;4.82,1.27,;6.15,.5,;7.48,1.27,;8.95,.8,;9.85,2.04,;8.95,3.29,;7.48,2.81,;.82,5.12,;2.15,5.89,;-.52,5.89,;-.52,7.43,;.82,8.2,;.82,9.74,;-.52,10.51,;-.52,12.05,;-1.85,12.82,;-3.19,12.05,;-3.19,10.51,;-1.85,9.74,;-1.85,8.2,;-3.19,7.43,)|
CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r,wU:9.8,wD:17.27,(8.67,5.89,;7.34,5.12,;7.34,3.58,;6,2.81,;6,1.27,;4.67,.5,;3.33,1.27,;2,.5,;2,-1.04,;.67,1.27,;.67,2.81,;-.67,3.58,;-2,2.81,;-2,1.27,;-.67,.5,;-.67,-1.04,;.67,-1.81,;-2,-1.81,;-3.33,-1.04,;-4.67,-1.81,;-6,-1.04,;-7.34,-1.81,;-8.67,-1.04,;-10,-1.81,;-10,-3.35,;-11.34,-1.04,;-10,-.27,;-2,-3.35,;-.67,-4.12,;-.67,-5.66,;.67,-6.43,;2,-5.66,;3.47,-5.18,;4.37,-6.43,;3.47,-7.67,;3.86,-9.16,;2.77,-10.25,;1.29,-9.85,;.2,-10.94,;.6,-12.43,;2.08,-12.82,;3.17,-11.74,;2,-7.2,;2,-4.12,;.67,-3.35,;-.67,5.12,;.67,5.89,;-2,5.89,;-2,7.43,;-.67,8.2,;-.67,9.74,;-2,10.51,;-2,12.05,;-3.33,12.82,;-4.67,12.05,;-4.67,10.51,;-3.33,9.74,;-3.33,8.2,;-4.67,7.43,;7.34,.5,;8.67,1.27,;8.67,2.81,;10,3.58,;11.34,2.81,)|
COC(N)c1cccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)c1 |r,wU:16.18,wD:29.40,(-4.52,10.25,;-3.19,9.48,;-3.19,7.94,;-4.52,7.17,;-1.85,7.17,;-.52,7.94,;.82,7.17,;.82,5.63,;-.52,4.86,;-.52,3.32,;.82,2.55,;2.15,3.32,;.82,1.01,;-.52,.24,;-.52,-1.3,;.82,-2.07,;2.15,-1.3,;2.15,.24,;3.48,-2.07,;3.48,-3.61,;4.82,-1.3,;6.15,-2.07,;7.48,-1.3,;7.48,.24,;8.95,.71,;9.85,-.53,;8.95,-1.78,;.82,-3.61,;2.15,-4.38,;-.52,-4.38,;-1.85,-3.61,;-3.19,-4.38,;-4.52,-3.61,;-5.85,-4.38,;-7.19,-3.61,;-8.52,-4.38,;-9.85,-5.15,;-9.29,-3.05,;-7.75,-5.72,;-.52,-5.92,;.82,-6.69,;.82,-8.23,;2.15,-9,;3.48,-8.23,;3.48,-9.77,;4.95,-10.25,;5.85,-9,;7.34,-8.6,;7.74,-7.12,;9.23,-6.72,;9.62,-5.23,;8.54,-4.14,;7.05,-4.54,;6.65,-6.03,;4.95,-7.76,;3.48,-6.69,;2.15,-5.92,;-1.85,5.63,)|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2cccc(CN)c2)ccc1CN |r,wU:9.8,wD:17.27,(11.34,.97,;10,.2,;8.67,.97,;7.34,.2,;6,.97,;4.67,.2,;3.33,.97,;2,.2,;2,-1.34,;.67,.97,;.67,2.51,;-.67,3.28,;-2,2.51,;-2,.97,;-.67,.2,;-.67,-1.34,;.67,-2.11,;-2,-2.11,;-3.33,-1.34,;-4.67,-2.11,;-6,-1.34,;-7.34,-2.11,;-8.67,-1.34,;-10,-2.11,;-10.77,-.78,;-11.34,-2.88,;-9.23,-3.44,;-2,-3.65,;-.67,-4.42,;-.67,-5.96,;.67,-6.73,;2,-5.96,;3.47,-5.49,;4.37,-6.73,;3.47,-7.98,;3.86,-9.46,;5.35,-9.86,;5.75,-11.35,;7.24,-11.75,;8.33,-10.66,;7.93,-9.17,;6.44,-8.77,;2,-7.5,;2,-4.42,;.67,-3.65,;-.67,4.82,;.67,5.59,;-2,5.59,;-2,7.13,;-.67,7.9,;-.67,9.44,;-2,10.21,;-3.33,9.44,;-4.67,10.21,;-4.67,11.75,;-3.33,7.9,;6,2.51,;7.34,3.28,;8.67,2.51,;10,3.28,;11.34,2.51,)|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCS1(=O)=O)NC1CCCCC1 |r|
CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:33.37,7.7,(-3.36,-9.43,;-2.02,-8.66,;-.69,-9.43,;-2.02,-7.12,;-.69,-6.35,;-.69,-4.81,;.64,-4.04,;.64,-2.5,;-.69,-1.73,;-2.02,-2.5,;-2.02,-4.04,;-3.36,-4.81,;-4.69,-4.04,;-6.15,-3.56,;-7.06,-4.81,;-6.15,-6.05,;-6.55,-7.54,;-8.04,-7.94,;-9.13,-6.85,;-10.62,-7.25,;-11.02,-8.74,;-9.93,-9.82,;-8.44,-9.43,;-4.69,-5.58,;-4.69,-2.5,;-3.36,-1.73,;1.98,-1.73,;3.31,-2.5,;1.98,-.19,;.64,.58,;.64,2.12,;1.98,2.89,;3.31,2.12,;3.31,.58,;4.65,-.19,;4.65,-1.73,;5.98,.58,;7.31,-.19,;8.65,.58,;8.65,2.12,;10.11,2.6,;11.02,1.35,;10.11,.11,;1.98,4.43,;.64,5.2,;3.31,5.2,;3.31,6.74,;1.98,7.51,;1.98,9.05,;3.31,9.82,;4.65,9.05,;4.65,7.51,;5.98,6.74,)|
CN(C)CCCC[C@@H](N(C)C1CCC2(CNC(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(CN)c2ccccc12 |r,wU:35.39,wD:9.9,(-8.52,-4.04,;-8.52,-2.5,;-9.85,-1.73,;-8.52,-.96,;-7.19,-1.73,;-5.85,-2.5,;-4.52,-1.73,;-3.19,-2.5,;-1.85,-1.73,;-.52,-2.5,;-.52,-4.04,;.82,-4.81,;.82,-6.35,;2.15,-7.12,;3.48,-6.35,;4.95,-5.87,;5.85,-7.12,;4.95,-8.36,;5.35,-9.85,;6.83,-10.25,;7.23,-11.74,;8.72,-12.13,;9.81,-11.04,;9.41,-9.56,;7.92,-9.16,;3.48,-7.89,;3.48,-4.81,;2.15,-4.04,;.82,-1.73,;2.15,-2.5,;.82,-.19,;-.52,.58,;-.52,2.12,;.82,2.89,;2.15,2.12,;2.15,.58,;3.48,-.19,;3.48,-1.73,;4.82,.58,;6.15,-.19,;7.48,.58,;8.95,.11,;9.85,1.35,;8.95,2.6,;7.48,2.12,;.82,4.43,;2.15,5.2,;-.52,5.2,;-.52,6.74,;.82,7.51,;.82,9.05,;-.52,9.82,;-.52,11.36,;.82,12.13,;-1.85,9.05,;-3.19,9.82,;-4.52,9.05,;-4.52,7.51,;-3.19,6.74,;-1.85,7.51,)|
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc2CNCCc12 |r,wD:35.39,9.9,(.14,-10.29,;.91,-8.96,;2.24,-9.73,;1.68,-7.62,;-.43,-8.19,;-.43,-6.65,;-1.76,-5.88,;-1.76,-4.34,;-3.09,-3.57,;-3.09,-2.03,;-1.76,-1.26,;-.43,-2.03,;-.43,-3.57,;.91,-4.34,;2.24,-3.57,;2.24,-5.11,;3.7,-5.58,;4.61,-4.34,;6.1,-3.94,;7.19,-5.03,;6.79,-6.52,;7.88,-7.6,;9.36,-7.21,;9.76,-5.72,;8.67,-4.63,;3.7,-3.09,;2.24,-2.03,;.91,-1.26,;-4.43,-1.26,;-5.76,-2.03,;-4.43,.28,;-3.09,1.05,;-3.09,2.59,;-4.43,3.36,;-5.76,2.59,;-5.76,1.05,;-7.1,.28,;-8.43,1.05,;-7.1,-1.26,;-8.43,-2.03,;-8.43,-3.57,;-7.18,-4.47,;-7.66,-5.94,;-9.2,-5.94,;-9.68,-4.47,;-4.43,4.9,;-3.09,5.67,;-5.76,5.67,;-5.76,7.21,;-4.43,7.98,;-4.43,9.52,;-5.76,10.29,;-7.1,9.52,;-8.43,10.29,;-9.76,9.52,;-9.76,7.98,;-8.43,7.21,;-7.1,7.98,)|
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc(CN)c1Cl |r,wU:35.39,wD:9.9,(-9.85,-4,;-8.52,-3.23,;-9.29,-1.89,;-7.75,-4.56,;-7.19,-2.46,;-5.85,-3.23,;-4.52,-2.46,;-3.19,-3.23,;-1.85,-2.46,;-.52,-3.23,;-.52,-4.77,;.82,-5.54,;.82,-7.08,;2.15,-7.85,;3.48,-7.08,;3.48,-8.62,;4.95,-9.09,;5.85,-7.85,;7.34,-7.45,;7.74,-5.96,;9.23,-5.56,;9.62,-4.07,;8.54,-2.99,;7.05,-3.38,;6.65,-4.87,;4.95,-6.6,;3.48,-5.54,;2.15,-4.77,;.82,-2.46,;2.15,-3.23,;.82,-.92,;-.52,-.15,;-.52,1.39,;.82,2.16,;2.15,1.39,;2.15,-.15,;3.48,-.92,;3.48,-2.46,;4.82,-.15,;6.15,-.92,;7.48,-.15,;7.48,1.39,;8.95,1.87,;9.85,.62,;8.95,-.62,;.82,3.7,;2.15,4.47,;-.52,4.47,;-.52,6.01,;.82,6.78,;.82,8.32,;-.52,9.09,;-1.85,8.32,;-3.19,9.09,;-4.52,8.32,;-1.85,6.78,;-3.19,6.01,)|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CCCCNS(C)(=O)=O)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC(CN)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r,wU:9.8,wD:17.27,(6,2.69,;7.34,1.92,;7.34,.39,;6,-.39,;6,-1.92,;4.67,-2.69,;3.33,-1.92,;2,-2.69,;2,-4.24,;.67,-1.92,;.67,-.39,;-.67,.39,;-2,-.39,;-2,-1.92,;-.67,-2.69,;-.67,-4.24,;.67,-5,;-2,-5,;-3.33,-4.24,;-4.67,-5,;-6,-4.24,;-7.34,-5,;-8.67,-4.24,;-10,-5,;-10,-6.54,;-11.34,-4.24,;-10,-3.46,;-2,-6.54,;-.67,-7.31,;-.67,-8.85,;.67,-9.62,;2,-8.85,;3.33,-9.62,;4.67,-8.85,;2,-7.31,;.67,-6.54,;-.67,1.92,;.67,2.69,;-2,2.69,;-2,4.24,;-.67,5,;-.67,6.54,;-2,7.31,;-2,8.85,;-3.33,9.62,;-4.67,8.85,;-4.67,7.31,;-3.33,6.54,;-3.33,5,;-4.67,4.24,;7.34,-2.69,;8.67,-1.92,;8.67,-.39,;10,.39,;11.34,-.39,)|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2ccccc2Cl)ccc1CN |r,wU:9.8,wD:17.27,(6,7.05,;7.34,6.28,;7.34,4.74,;6,3.97,;6,2.43,;4.67,1.66,;3.33,2.43,;2,1.66,;2,.12,;.67,2.43,;.67,3.97,;-.67,4.74,;-2,3.97,;-2,2.43,;-.67,1.66,;-.67,.12,;.67,-.65,;-2,-.65,;-3.33,.12,;-4.67,-.65,;-6,.12,;-7.34,-.65,;-8.67,.12,;-10,-.65,;-10,-2.19,;-11.34,.12,;-10,.89,;-2,-2.19,;-.67,-2.96,;-.67,-4.5,;.67,-5.27,;2,-4.5,;3.47,-4.02,;4.37,-5.27,;3.47,-6.52,;3.86,-8,;2.77,-9.09,;1.29,-8.69,;.2,-9.78,;.6,-11.27,;2.08,-11.67,;3.17,-10.58,;2,-6.04,;2,-2.96,;.67,-2.19,;-.67,6.28,;.67,7.05,;-2,7.05,;-2,8.59,;-.67,9.36,;-.67,10.9,;-2,11.67,;-3.33,10.9,;-3.33,9.36,;-4.67,8.59,;7.34,1.66,;8.67,2.43,;8.67,3.97,;10,4.74,;11.34,3.97,)|
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CNC(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc(CN)c1 |r,wU:35.39,wD:9.9,(-9.85,-4,;-8.52,-3.23,;-7.75,-4.56,;-9.29,-1.89,;-7.19,-2.46,;-5.85,-3.23,;-4.52,-2.46,;-3.19,-3.23,;-1.85,-2.46,;-.52,-3.23,;-.52,-4.77,;.82,-5.54,;.82,-7.08,;2.15,-7.85,;3.48,-7.08,;3.48,-8.62,;4.95,-9.09,;5.85,-7.85,;7.34,-7.45,;7.74,-5.96,;9.23,-5.56,;9.62,-4.07,;8.54,-2.99,;7.05,-3.38,;6.65,-4.87,;4.95,-6.6,;3.48,-5.54,;2.15,-4.77,;.82,-2.46,;2.15,-3.23,;.82,-.92,;-.52,-.15,;-.52,1.39,;.82,2.16,;2.15,1.39,;2.15,-.15,;3.48,-.92,;3.48,-2.46,;4.82,-.15,;6.15,-.92,;7.48,-.15,;7.48,1.39,;8.95,1.87,;9.85,.62,;8.95,-.62,;.82,3.7,;2.15,4.47,;-.52,4.47,;-.52,6.01,;.82,6.78,;.82,8.32,;-.52,9.09,;-1.85,8.32,;-3.19,9.09,;-4.52,8.32,;-1.85,6.78,)|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r,wU:9.8,wD:17.25,(5.33,5.89,;6.67,5.12,;6.67,3.58,;5.33,2.81,;5.33,1.27,;4,.5,;2.67,1.27,;1.33,.5,;1.33,-1.04,;,1.27,;,2.81,;-1.33,3.58,;-2.67,2.81,;-2.67,1.27,;-1.33,.5,;-1.33,-1.04,;,-1.81,;-2.67,-1.81,;-4,-1.04,;-5.33,-1.81,;-6.67,-1.04,;-8,-1.81,;-9.34,-1.04,;-10.67,-1.81,;-9.34,.5,;-2.67,-3.35,;-4,-4.12,;-1.33,-4.12,;-1.33,-5.66,;,-6.43,;1.33,-5.66,;2.8,-5.18,;3.7,-6.43,;2.8,-7.67,;3.2,-9.16,;2.11,-10.25,;.62,-9.85,;-.47,-10.94,;-.07,-12.43,;1.42,-12.82,;2.51,-11.74,;1.33,-7.2,;1.33,-4.12,;,-3.35,;-1.33,5.12,;,5.89,;-2.67,5.89,;-2.67,7.43,;-1.33,8.2,;-1.33,9.74,;-2.67,10.51,;-2.67,12.05,;-4,12.82,;-5.33,12.05,;-5.33,10.51,;-4,9.74,;-4,8.2,;-5.33,7.43,;6.67,.5,;8,1.27,;8,2.81,;9.34,3.58,;10.67,2.81,)|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:14.17,27.41,(5.98,7.7,;4.65,8.47,;4.65,10.01,;3.31,10.78,;1.98,10.01,;1.98,8.47,;3.31,7.7,;3.31,6.16,;1.98,5.39,;.64,6.16,;1.98,3.85,;.64,3.08,;.64,1.54,;1.98,.77,;3.31,1.54,;3.31,3.08,;4.65,.77,;4.65,-.77,;5.98,1.54,;7.31,.77,;8.65,1.54,;8.65,3.08,;10.11,3.56,;11.02,2.31,;10.11,1.06,;1.98,-.77,;3.31,-1.54,;.64,-1.54,;.64,-3.08,;-.69,-3.85,;-.69,-5.39,;-2.02,-6.16,;-2.02,-7.7,;-3.36,-8.47,;-3.36,-10.01,;-2.02,-10.78,;-.69,-10.01,;-.69,-8.47,;-.69,-.77,;-2.02,-1.54,;-2.02,-3.08,;-3.36,-3.85,;-4.69,-3.08,;-6.15,-2.6,;-7.06,-3.85,;-6.15,-5.1,;-6.55,-6.58,;-8.04,-6.98,;-9.13,-5.89,;-10.62,-6.29,;-11.02,-7.78,;-9.93,-8.87,;-8.44,-8.47,;-4.69,-4.62,;-4.69,-1.54,;-3.36,-.77,)|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CCCCN(C)C)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r|
CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:33.37,wD:7.7,(-9.19,-.65,;-7.85,.12,;-7.85,1.66,;-6.52,-.65,;-5.19,.12,;-3.85,-.65,;-2.52,.12,;-1.18,-.65,;-1.18,-2.19,;.15,-2.96,;.15,-4.5,;1.48,-5.27,;2.82,-4.5,;4.28,-4.02,;5.19,-5.27,;4.28,-6.52,;4.68,-8,;3.59,-9.09,;2.1,-8.69,;1.01,-9.78,;1.41,-11.27,;2.9,-11.67,;3.99,-10.58,;2.82,-6.04,;2.82,-2.96,;1.48,-2.19,;.15,.12,;1.48,-.65,;.15,1.66,;-1.18,2.43,;-1.18,3.97,;.15,4.74,;1.48,3.97,;1.48,2.43,;2.82,1.66,;2.82,.12,;4.15,2.43,;5.48,1.66,;6.82,2.43,;6.82,3.97,;8.28,4.45,;9.19,3.2,;8.28,1.95,;.15,6.28,;1.48,7.05,;-1.18,7.05,;-1.18,8.59,;.15,9.36,;.15,10.9,;-1.18,11.67,;-2.52,10.9,;-2.52,9.36,;-3.85,8.59,)|
CN(C)CCCC[C@@H](NC1CCC(CN)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r,wU:24.26,wD:7.7,(-9.19,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;-1.18,-5.39,;.15,-6.16,;.15,-7.7,;1.48,-8.47,;2.82,-7.7,;4.15,-8.47,;5.48,-7.7,;2.82,-6.16,;1.48,-5.39,;.15,-3.08,;1.48,-3.85,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;1.48,.77,;1.48,-.77,;2.82,-1.54,;2.82,-3.08,;4.15,-.77,;5.48,-1.54,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;6.82,.77,;.15,3.08,;1.48,3.85,;-1.18,3.85,;-1.18,5.39,;.15,6.16,;.15,7.7,;-1.18,8.47,;-2.52,7.7,;-2.52,6.16,;-3.85,5.39,)|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)NC2CCC(CN)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r,wU:9.8,wD:17.25,(5.33,2.7,;6.67,1.93,;6.67,.39,;5.33,-.38,;5.33,-1.92,;4,-2.69,;2.67,-1.92,;1.33,-2.69,;1.33,-4.23,;,-1.92,;,-.38,;-1.33,.39,;-2.67,-.38,;-2.67,-1.92,;-1.33,-2.69,;-1.33,-4.23,;,-5,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-6.67,-4.23,;-8,-5,;-9.34,-4.23,;-10.67,-5,;-9.34,-2.69,;-2.67,-6.54,;-1.33,-7.31,;-1.33,-8.85,;,-9.62,;1.33,-8.85,;2.67,-9.62,;4,-8.85,;1.33,-7.31,;,-6.54,;-1.33,1.93,;,2.7,;-2.67,2.7,;-2.67,4.24,;-1.33,5.01,;-1.33,6.54,;-2.67,7.31,;-2.67,8.85,;-4,9.62,;-5.33,8.85,;-5.33,7.31,;-4,6.54,;-4,5.01,;-5.33,4.24,;6.67,-2.69,;8,-1.92,;8,-.38,;9.34,.39,;10.67,-.38,)|
CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)CC1CCCC1 |r,wU:33.37,wD:7.7,(-9.19,-.3,;-7.85,.47,;-7.85,2.01,;-6.52,-.3,;-5.19,.47,;-3.85,-.3,;-2.52,.47,;-1.18,-.3,;-1.18,-1.84,;.15,-2.61,;.15,-4.15,;1.48,-4.92,;2.82,-4.15,;4.28,-3.67,;5.19,-4.92,;4.28,-6.16,;4.68,-7.65,;3.59,-8.74,;2.1,-8.34,;1.01,-9.43,;1.41,-10.92,;2.9,-11.31,;3.99,-10.23,;2.82,-5.69,;2.82,-2.61,;1.48,-1.84,;.15,.47,;1.48,-.3,;.15,2.01,;-1.18,2.78,;-1.18,4.32,;.15,5.09,;1.48,4.32,;1.48,2.78,;2.82,2.01,;2.82,.47,;4.15,2.78,;5.48,2.01,;6.82,2.78,;6.82,4.32,;8.28,4.8,;9.19,3.55,;8.28,2.31,;.15,6.63,;1.48,7.4,;-1.18,7.4,;-1.18,8.94,;-2.43,9.85,;-1.95,11.31,;-.41,11.31,;.06,9.85,)|
Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c(Cl)c1C |r|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCOCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:14.17,wD:27.41,(5.31,7.9,;3.98,8.67,;3.98,10.21,;2.64,10.98,;1.31,10.21,;1.31,8.67,;2.64,7.9,;2.64,6.36,;1.31,5.59,;-.02,6.36,;1.31,4.05,;-.02,3.28,;-.02,1.74,;1.31,.97,;2.64,1.74,;2.64,3.28,;3.98,.97,;3.98,-.57,;5.31,1.74,;6.65,.97,;7.98,1.74,;7.98,3.28,;9.44,3.75,;10.35,2.51,;9.44,1.26,;1.31,-.57,;2.64,-1.34,;-.02,-1.34,;-1.36,-.57,;-1.36,.97,;-2.69,1.74,;-2.69,3.28,;-4.02,4.05,;-4.02,5.59,;-5.36,6.36,;-6.69,5.59,;-6.69,4.05,;-5.36,3.28,;-.02,-2.88,;-1.36,-3.65,;-1.36,-5.19,;-2.69,-5.96,;-4.02,-5.19,;-5.49,-4.72,;-6.39,-5.96,;-5.49,-7.21,;-5.89,-8.69,;-7.37,-9.09,;-8.46,-8,;-9.95,-8.4,;-10.35,-9.89,;-9.26,-10.98,;-7.77,-10.58,;-4.02,-6.73,;-4.02,-3.65,;-2.69,-2.88,)|
CN(C)CCCC[C@@H](N(C)C1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Cc1cccc2CNCCc12 |r,wU:34.38,wD:7.7,(-9.19,-.65,;-7.85,.12,;-7.85,1.66,;-6.52,-.65,;-5.19,.12,;-3.85,-.65,;-2.52,.12,;-1.18,-.65,;-1.18,-2.19,;-2.52,-2.96,;.15,-2.96,;.15,-4.5,;1.48,-5.27,;2.82,-4.5,;4.28,-4.02,;5.19,-5.27,;4.28,-6.52,;4.68,-8,;3.59,-9.09,;2.1,-8.69,;1.01,-9.78,;1.41,-11.27,;2.9,-11.67,;3.99,-10.58,;2.82,-6.04,;2.82,-2.96,;1.48,-2.19,;.15,.12,;1.48,-.65,;.15,1.66,;-1.18,2.43,;-1.18,3.97,;.15,4.74,;1.48,3.97,;1.48,2.43,;2.82,1.66,;2.82,.12,;4.15,2.43,;5.48,1.66,;6.82,2.43,;8.28,1.95,;9.19,3.2,;8.28,4.45,;6.82,3.97,;.15,6.28,;1.48,7.05,;-1.18,7.05,;-1.18,8.59,;.15,9.36,;.15,10.9,;-1.18,11.67,;-2.52,10.9,;-3.85,11.67,;-5.19,10.9,;-5.19,9.36,;-3.85,8.59,;-2.52,9.36,)|
Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCCCC1 |r|
CN(C)CCCC[C@@H](N)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r|
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)CC1CCCC1 |r|
CN(C)CCCC[C@@H](N(C)C1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r,wU:34.38,wD:7.7,(-9.19,-1.42,;-7.85,-.65,;-7.85,.89,;-6.52,-1.42,;-5.19,-.65,;-3.85,-1.42,;-2.52,-.65,;-1.18,-1.42,;-1.18,-2.96,;-2.52,-3.73,;.15,-3.73,;.15,-5.27,;1.48,-6.04,;2.82,-5.27,;4.28,-4.79,;5.19,-6.04,;4.28,-7.29,;4.68,-8.77,;3.59,-9.86,;2.1,-9.46,;1.01,-10.55,;1.41,-12.04,;2.9,-12.44,;3.99,-11.35,;2.82,-6.81,;2.82,-3.73,;1.48,-2.96,;.15,-.65,;1.48,-1.42,;.15,.89,;-1.18,1.66,;-1.18,3.2,;.15,3.97,;1.48,3.2,;1.48,1.66,;2.82,.89,;2.82,-.65,;4.15,1.66,;5.48,.89,;6.82,1.66,;8.28,1.18,;9.19,2.43,;8.28,3.68,;6.82,3.2,;.15,5.51,;1.48,6.28,;-1.18,6.28,;-1.18,7.82,;.15,8.59,;.15,10.13,;-1.18,10.9,;-1.18,12.44,;-2.52,10.13,;-3.85,10.9,;-2.52,8.59,;-3.85,7.82,)|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r|
CC(C)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r|
CC(C)NCCCC[C@@H](NC(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r|
Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CCCCN2CCCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Cl)c1C |r,wU:12.14,wD:25.38,(2.15,9.86,;2.15,8.32,;3.48,7.55,;3.48,6.01,;2.15,5.24,;2.15,3.7,;.82,2.93,;-.52,3.7,;.82,1.39,;-.52,.62,;-.52,-.92,;.82,-1.69,;2.15,-.92,;2.15,.62,;3.48,-1.69,;3.48,-3.23,;4.82,-.92,;6.15,-1.69,;7.48,-.92,;7.48,.62,;8.95,1.1,;9.85,-.15,;8.95,-1.39,;.82,-3.23,;2.15,-4,;-.52,-4,;-1.85,-3.23,;-3.19,-4,;-4.52,-3.23,;-5.85,-4,;-7.19,-3.23,;-7.19,-1.69,;-8.52,-.92,;-9.85,-1.69,;-9.85,-3.23,;-8.52,-4,;-.52,-5.54,;.82,-6.31,;.82,-7.85,;2.15,-8.62,;3.48,-7.85,;3.48,-9.39,;4.95,-9.86,;5.85,-8.62,;7.34,-8.22,;7.74,-6.73,;9.23,-6.33,;9.62,-4.84,;8.54,-3.76,;7.05,-4.15,;6.65,-5.64,;4.95,-7.37,;3.48,-6.31,;2.15,-5.54,;.82,6.01,;-.52,5.24,;.82,7.55,;-.52,8.32,)|
CC(C)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r,wU:34.38,wD:8.8,(-8.02,.97,;-6.69,.2,;-5.36,.97,;-6.69,-1.34,;-5.36,-2.11,;-4.02,-1.34,;-2.69,-2.11,;-1.36,-1.34,;-.02,-2.11,;-.02,-3.65,;-1.36,-4.42,;-1.36,-5.96,;-2.69,-6.73,;-4.02,-5.96,;-5.49,-5.49,;-6.39,-6.73,;-5.49,-7.98,;-5.89,-9.46,;-7.37,-9.86,;-8.46,-8.77,;-9.95,-9.17,;-10.35,-10.66,;-9.26,-11.75,;-7.77,-11.35,;-4.02,-7.5,;-4.02,-4.42,;-2.69,-3.65,;1.31,-1.34,;2.64,-2.11,;1.31,.2,;-.02,.97,;-.02,2.51,;1.31,3.28,;2.64,2.51,;2.64,.97,;3.98,.2,;3.98,-1.34,;5.31,.97,;6.65,.2,;7.98,.97,;7.98,2.51,;9.44,2.98,;10.35,1.74,;9.44,.49,;1.31,4.82,;2.64,5.59,;-.02,5.59,;-.02,7.13,;1.31,7.9,;1.31,9.44,;-.02,10.21,;-.02,11.75,;-1.36,9.44,;-2.69,10.21,;-1.36,7.9,;-2.69,7.13,)|
CC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(OC)c1)C(=O)Oc1ccc(C)c(C)c1Cl |r|
CC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(OC)c1)C(=O)Oc1ccc(C)c(C)c1Cl |r,wU:28.32,wD:2.2,(-8,-1.42,;-6.67,-.65,;-5.33,-1.42,;-5.33,-2.96,;-4,-3.73,;-4,-5.27,;-2.67,-6.04,;-1.33,-5.27,;.13,-4.79,;1.04,-6.04,;.13,-7.29,;.53,-8.77,;-.56,-9.86,;-2.05,-9.46,;-3.14,-10.55,;-2.74,-12.04,;-1.25,-12.44,;-.16,-11.35,;-1.33,-6.81,;-1.33,-3.73,;-2.67,-2.96,;-4,-.65,;-2.67,-1.42,;-4,.89,;-5.33,1.66,;-5.33,3.2,;-4,3.97,;-2.67,3.2,;-2.67,1.66,;-1.33,.89,;-1.33,-.65,;,1.66,;1.33,.89,;2.67,1.66,;4,.89,;5.33,1.66,;5.33,3.2,;6.67,3.97,;8,3.2,;4,3.97,;4,5.51,;5.33,6.28,;2.67,3.2,;-4,5.51,;-2.67,6.28,;-5.33,6.28,;-5.33,7.82,;-4,8.59,;-4,10.13,;-5.33,10.9,;-5.33,12.44,;-6.67,10.13,;-8,10.9,;-6.67,8.59,;-8,7.82,)|
CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r,wU:33.37,wD:7.7,(-6.69,.2,;-6.69,-1.34,;-8.02,-2.11,;-5.36,-2.11,;-4.02,-1.34,;-2.69,-2.11,;-1.36,-1.34,;-.02,-2.11,;-.02,-3.65,;-1.36,-4.42,;-1.36,-5.96,;-2.69,-6.73,;-4.02,-5.96,;-5.49,-5.49,;-6.39,-6.73,;-5.49,-7.98,;-5.89,-9.46,;-7.37,-9.86,;-8.46,-8.77,;-9.95,-9.17,;-10.35,-10.66,;-9.26,-11.75,;-7.77,-11.35,;-4.02,-7.5,;-4.02,-4.42,;-2.69,-3.65,;1.31,-1.34,;2.64,-2.11,;1.31,.2,;-.02,.97,;-.02,2.51,;1.31,3.28,;2.64,2.51,;2.64,.97,;3.98,.2,;3.98,-1.34,;5.31,.97,;6.65,.2,;7.98,.97,;7.98,2.51,;9.44,2.98,;10.35,1.74,;9.44,.49,;1.31,4.82,;2.64,5.59,;-.02,5.59,;-.02,7.13,;1.31,7.9,;1.31,9.44,;-.02,10.21,;-.02,11.75,;-1.36,9.44,;-2.69,10.21,;-1.36,7.9,;-2.69,7.13,)|
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CC1CCCN1CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r,wU:36.41,wD:10.11,(-10.15,-4.03,;-9.38,-2.69,;-10.28,-1.45,;-9.38,-.2,;-7.91,-.68,;-7.91,-2.22,;-6.58,-2.99,;-5.24,-2.22,;-3.91,-2.99,;-2.58,-2.22,;-1.24,-2.99,;-1.24,-4.53,;.09,-5.3,;.09,-6.84,;1.42,-7.61,;2.76,-6.84,;2.76,-8.38,;4.22,-8.85,;5.13,-7.61,;6.62,-7.21,;7.7,-8.3,;7.31,-9.78,;8.39,-10.87,;9.88,-10.47,;10.28,-8.99,;9.19,-7.9,;4.22,-6.36,;2.76,-5.3,;1.42,-4.53,;.09,-2.22,;1.42,-2.99,;.09,-.68,;-1.24,.09,;-1.24,1.63,;.09,2.4,;1.42,1.63,;1.42,.09,;2.76,-.68,;2.76,-2.22,;4.09,.09,;5.43,-.68,;6.76,.09,;6.76,1.63,;8.22,2.11,;9.13,.86,;8.22,-.38,;.09,3.94,;-1.24,4.71,;1.42,4.71,;1.42,6.25,;2.76,7.02,;2.76,8.56,;1.42,9.33,;1.42,10.87,;.09,8.56,;-1.24,9.33,;.09,7.02,;-1.24,6.25,)|
Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@H](N)CCCCN2CCCCC2)c(Cl)c1C |r|
CS(=O)(=O)NCCCC[C@@H](NC1CCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl |r|
C[C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O)NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCCC5)c6ccccc6
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:35|
C[C@@H]1N=C(O[C@H]1c1cccc(c1)C#N)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1cccc(CN)c1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN2CCCCC2)NC(C)C)C2=N[C@@H](C)[C@@H](O2)c2ccccc2)ccc1CN |r,t:34|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCC(CC1)C(N)=O)[C@H]1CC[C@@H](CC1)N1CCCCC1 |r,wU:1.0,40.50,29.33,wD:5.6,43.51,16.20,c:2,(-1.65,7.11,;-.88,5.77,;-1.36,4.31,;-.11,3.4,;1.13,4.31,;.66,5.77,;1.43,7.11,;2.91,6.71,;4,7.8,;3.6,9.29,;2.12,9.69,;1.03,8.6,;-.11,1.86,;1.22,1.09,;1.22,-.45,;-.11,-1.22,;-1.45,-.45,;-1.45,1.09,;-2.78,-1.22,;-2.78,-2.76,;-4.12,-.45,;-5.45,-1.22,;-6.78,-.45,;-8.19,-1.07,;-9.22,.07,;-8.45,1.41,;-6.94,1.09,;-.11,-2.76,;-1.45,-3.53,;1.22,-3.53,;1.22,-5.07,;2.55,-5.84,;2.55,-7.38,;3.89,-8.15,;5.22,-7.38,;5.22,-5.84,;3.89,-5.07,;6.55,-8.15,;6.55,-9.69,;7.89,-7.38,;2.55,-2.76,;2.55,-1.22,;3.89,-.45,;5.22,-1.22,;5.22,-2.76,;3.89,-3.53,;6.55,-.45,;7.89,-1.22,;9.22,-.45,;9.22,1.09,;7.89,1.86,;6.55,1.09,)|
CC(C)N[C@H]([C@H]1CC[C@@H](CC1)NC(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,wU:34.37,22.24,5.10,wD:36.41,4.3,8.11,t:35,(-3.89,-6.22,;-2.55,-6.99,;-2.55,-8.53,;-1.22,-6.22,;-1.22,-4.68,;-2.55,-3.91,;-3.89,-4.68,;-5.22,-3.91,;-5.22,-2.37,;-3.89,-1.6,;-2.55,-2.37,;-6.55,-1.6,;-7.89,-2.37,;-9.22,-1.6,;-7.89,-3.91,;.11,-3.91,;1.45,-4.68,;.11,-2.37,;-1.22,-1.6,;-1.22,-.06,;.11,.71,;1.45,-.06,;1.45,-1.6,;2.78,-2.37,;2.78,-3.91,;4.12,-1.6,;5.45,-2.37,;6.78,-1.6,;6.94,-.07,;8.45,.25,;9.22,-1.08,;8.19,-2.23,;.11,2.25,;-1.13,3.16,;-.66,4.62,;-1.43,5.95,;.88,4.62,;1.36,3.16,;1.65,5.95,;3.14,5.56,;4.23,6.64,;3.83,8.13,;2.35,8.53,;1.26,7.44,)|
CC(C)N[C@H](CC1CCN(CC1)C(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:35|
C[C@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1cccc(Br)c1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)C(CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1cccc(Cl)c1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=NCC2(CCCCC2)O1 |r,t:37|
C[C@@H]1N=C(O[C@H]1c1ccccc1C#N)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:16.20,1.0,29.42,wD:5.6,c:2,(.69,8.16,;1.46,6.83,;.99,5.36,;2.23,4.46,;3.48,5.36,;3,6.83,;3.77,8.16,;5.26,7.76,;6.35,8.85,;5.95,10.34,;4.46,10.74,;3.37,9.65,;2.23,2.92,;.9,2.15,;.9,.61,;2.23,-.16,;3.56,.61,;3.56,2.15,;4.9,-.16,;4.9,-1.7,;6.23,.61,;7.57,-.16,;8.9,.61,;10.31,-.02,;11.34,1.12,;10.57,2.46,;9.06,2.14,;2.23,-1.7,;3.56,-2.47,;.9,-2.47,;.9,-4.01,;-.44,-4.78,;-.44,-6.32,;-1.77,-7.09,;-1.77,-8.63,;-3.1,-9.4,;-2.33,-10.74,;-4.44,-10.17,;-3.87,-8.07,;-.44,-1.7,;-1.77,-2.47,;-3.1,-1.7,;-4.44,-2.47,;-4.44,-4.01,;-5.84,-3.39,;-6.87,-4.53,;-6.1,-5.86,;-6.87,-7.2,;-8.36,-7.6,;-9.45,-6.51,;-10.94,-6.91,;-11.34,-8.39,;-10.25,-9.48,;-8.76,-9.08,;-4.6,-5.54,;-3.1,-4.78,;-1.77,-4.01,)|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:16.20,1.0,wD:5.6,29.38,c:2,(-2.53,8.17,;-1.76,6.83,;-2.24,5.37,;-.99,4.46,;.25,5.37,;-.22,6.83,;.55,8.17,;2.03,7.77,;3.12,8.86,;2.72,10.35,;1.24,10.74,;.15,9.66,;-.99,2.92,;-2.33,2.15,;-2.33,.61,;-.99,-.16,;.34,.61,;.34,2.15,;1.67,-.16,;1.67,-1.7,;3.01,.61,;4.34,-.16,;5.67,.61,;7.08,-.01,;8.11,1.13,;7.34,2.47,;5.83,2.15,;-.99,-1.7,;.34,-2.47,;-2.33,-2.47,;-3.66,-1.7,;-5,-2.47,;-6.33,-1.7,;-7.66,-2.47,;-9,-1.7,;-2.33,-4.01,;-.99,-4.78,;-.99,-6.32,;.34,-7.09,;1.67,-6.32,;1.83,-7.85,;3.34,-8.17,;4.11,-6.83,;5.65,-6.83,;6.42,-8.17,;6.02,-9.66,;7.11,-10.74,;8.6,-10.35,;9,-8.86,;7.91,-7.77,;3.08,-5.69,;1.67,-4.78,;.34,-4.01,)|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)N(C)C1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:16.20,1.0,wD:5.6,29.40,c:2,(-2,7.85,;-1.23,6.51,;-1.71,5.05,;-.46,4.14,;.78,5.05,;.31,6.51,;1.08,7.85,;2.57,7.45,;3.66,8.54,;3.26,10.02,;1.77,10.42,;.68,9.33,;-.46,2.6,;-1.79,1.83,;-1.79,.29,;-.46,-.48,;.87,.29,;.87,1.83,;2.21,-.48,;2.21,-2.02,;3.54,.29,;4.87,-.48,;6.21,.29,;7.61,-.33,;8.64,.81,;7.87,2.14,;6.37,1.82,;-.46,-2.02,;.87,-2.79,;-1.79,-2.79,;-3.13,-2.02,;-4.46,-2.79,;-5.8,-2.02,;-7.13,-2.79,;-8.46,-2.02,;-9.8,-2.79,;-8.46,-.48,;-1.79,-4.33,;-3.13,-5.1,;-.46,-5.1,;-.46,-6.64,;.87,-7.41,;2.21,-6.64,;2.37,-8.17,;3.87,-8.49,;4.64,-7.16,;6.13,-6.76,;7.22,-7.85,;6.82,-9.33,;7.91,-10.42,;9.4,-10.02,;9.8,-8.54,;8.71,-7.45,;3.61,-6.01,;2.21,-5.1,;.87,-4.33,)|
C[C@@H]1N=C(O[C@H]1c1ccc(cc1)C#N)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCC(CN)CC1 |r,wU:16.20,1.0,wD:5.6,29.40,c:2,(-1.43,6.34,;-.66,5,;-1.13,3.54,;.11,2.63,;1.36,3.54,;.88,5,;1.65,6.34,;3.14,5.94,;4.23,7.03,;3.83,8.52,;2.35,8.92,;1.26,7.83,;.11,1.09,;-1.22,.32,;-1.22,-1.22,;.11,-1.99,;1.45,-1.22,;1.45,.32,;2.78,-1.99,;2.78,-3.53,;4.12,-1.22,;5.45,-1.99,;6.78,-1.22,;8.19,-1.84,;9.22,-.7,;8.45,.64,;6.94,.32,;.11,-3.53,;1.45,-4.3,;-1.22,-4.3,;-2.55,-3.53,;-3.89,-4.3,;-5.22,-3.53,;-6.55,-4.3,;-7.89,-3.53,;-7.89,-1.99,;-9.22,-4.3,;-1.22,-5.84,;.11,-6.61,;.11,-8.15,;1.45,-8.92,;2.78,-8.15,;4.12,-8.92,;5.45,-8.15,;2.78,-6.61,;1.45,-5.84,)|
C[C@@H]1N=C(O[C@H]1c1cccc(C)c1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:16.20,1.0,wD:5.6,29.40,c:2,(-1.87,8.17,;-1.1,6.83,;-1.57,5.37,;-.33,4.46,;.92,5.37,;.44,6.83,;1.21,8.17,;2.7,7.77,;3.79,8.86,;3.39,10.35,;1.9,10.74,;.81,9.66,;-.33,2.92,;-1.66,2.15,;-1.66,.61,;-.33,-.16,;1.01,.61,;1.01,2.15,;2.34,-.16,;2.34,-1.7,;3.67,.61,;5.01,-.16,;6.49,.24,;7.69,-.73,;8.98,.11,;8.58,1.6,;7.05,1.68,;-.33,-1.7,;1.01,-2.47,;-1.66,-2.47,;-3,-1.7,;-4.33,-2.47,;-5.66,-1.7,;-7,-2.47,;-8.33,-1.7,;-9.66,-2.47,;-8.33,-.16,;-1.66,-4.01,;-.33,-4.78,;-.33,-6.32,;1.01,-7.09,;2.34,-6.32,;2.5,-7.85,;4.01,-8.17,;4.78,-6.83,;6.32,-6.83,;7.09,-8.17,;6.69,-9.66,;7.78,-10.74,;9.26,-10.35,;9.66,-8.86,;8.57,-7.77,;3.75,-5.69,;2.34,-4.78,;1.01,-4.01,)|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](CCCCN(C)C)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:16.20,1.0,29.40,wD:5.6,c:2,(-1.87,8.17,;-1.1,6.83,;-1.57,5.37,;-.33,4.46,;.92,5.37,;.44,6.83,;1.21,8.17,;2.7,7.77,;3.79,8.86,;3.39,10.35,;1.9,10.74,;.81,9.66,;-.33,2.92,;-1.66,2.15,;-1.66,.61,;-.33,-.16,;1.01,.61,;1.01,2.15,;2.34,-.16,;2.34,-1.7,;3.67,.61,;5.01,-.16,;6.49,.24,;7.69,-.73,;8.98,.11,;8.58,1.6,;7.05,1.68,;-.33,-1.7,;1.01,-2.47,;-1.66,-2.47,;-3,-1.7,;-4.33,-2.47,;-5.66,-1.7,;-7,-2.47,;-8.33,-1.7,;-9.66,-2.47,;-8.33,-.16,;-1.66,-4.01,;-.33,-4.78,;-.33,-6.32,;1.01,-7.09,;2.34,-6.32,;2.5,-7.85,;4.01,-8.17,;4.78,-6.83,;6.32,-6.83,;7.09,-8.17,;6.69,-9.66,;7.78,-10.74,;9.26,-10.35,;9.66,-8.86,;8.57,-7.77,;3.75,-5.69,;2.34,-4.78,;1.01,-4.01,)|
CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r,c:3|
C[C@@H]1N=C(O[C@H]1c1cccc(c1)C#N)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCCCC1 |r,c:2|
CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:32|
CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=NC(C)(C)CO1 |r,wU:33.37,wD:7.7,t:48,(-9.8,-1.6,;-8.46,-.83,;-8.46,.71,;-7.13,-1.6,;-5.8,-.83,;-4.46,-1.6,;-3.13,-.83,;-1.79,-1.6,;-1.79,-3.14,;-.46,-3.91,;-.46,-5.45,;.87,-6.22,;2.21,-5.45,;2.37,-6.98,;3.87,-7.3,;4.64,-5.97,;6.13,-5.57,;7.22,-6.66,;6.82,-8.15,;7.91,-9.24,;9.4,-8.84,;9.8,-7.35,;8.71,-6.26,;3.61,-4.83,;2.21,-3.91,;.87,-3.14,;-.46,-.83,;.87,-1.6,;-.46,.71,;-1.79,1.48,;-1.79,3.02,;-.46,3.79,;.87,3.02,;.87,1.48,;2.21,.71,;2.21,-.83,;3.54,1.48,;4.87,.71,;6.21,1.48,;6.37,3.01,;7.87,3.33,;8.64,2,;7.61,.85,;-.46,5.33,;.78,6.23,;.31,7.7,;.31,9.24,;1.64,8.47,;-1.23,7.7,;-1.71,6.23,)|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:1.0,16.20,wD:5.6,29.40,c:2,(-2,7.85,;-1.23,6.51,;-1.71,5.05,;-.46,4.14,;.78,5.05,;.31,6.51,;1.08,7.85,;2.57,7.45,;3.66,8.54,;3.26,10.02,;1.77,10.42,;.68,9.33,;-.46,2.6,;-1.79,1.83,;-1.79,.29,;-.46,-.48,;.87,.29,;.87,1.83,;2.21,-.48,;2.21,-2.02,;3.54,.29,;4.87,-.48,;6.21,.29,;7.61,-.33,;8.64,.81,;7.87,2.14,;6.37,1.82,;-.46,-2.02,;.87,-2.79,;-1.79,-2.79,;-3.13,-2.02,;-4.46,-2.79,;-5.8,-2.02,;-7.13,-2.79,;-8.46,-2.02,;-9.8,-2.79,;-8.46,-.48,;-1.79,-4.33,;-.46,-5.1,;-.46,-6.64,;.87,-7.41,;2.21,-6.64,;2.37,-8.17,;3.87,-8.49,;4.64,-7.16,;6.13,-6.76,;7.22,-7.85,;6.82,-9.33,;7.91,-10.42,;9.4,-10.02,;9.8,-8.54,;8.71,-7.45,;3.61,-6.01,;2.21,-5.1,;.87,-4.33,)|
C[C@H]1N=C(O[C@@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 |r,wU:5.6,16.20,wD:1.0,29.40,c:2,(-2,7.85,;-1.23,6.51,;-1.71,5.05,;-.46,4.14,;.78,5.05,;.31,6.51,;1.08,7.85,;2.57,7.45,;3.66,8.54,;3.26,10.02,;1.77,10.42,;.68,9.33,;-.46,2.6,;-1.79,1.83,;-1.79,.29,;-.46,-.48,;.87,.29,;.87,1.83,;2.21,-.48,;2.21,-2.02,;3.54,.29,;4.87,-.48,;6.21,.29,;7.61,-.33,;8.64,.81,;7.87,2.14,;6.37,1.82,;-.46,-2.02,;.87,-2.79,;-1.79,-2.79,;-3.13,-2.02,;-4.46,-2.79,;-5.8,-2.02,;-7.13,-2.79,;-8.46,-2.02,;-9.8,-2.79,;-8.46,-.48,;-1.79,-4.33,;-.46,-5.1,;-.46,-6.64,;.87,-7.41,;2.21,-6.64,;2.37,-8.17,;3.87,-8.49,;4.64,-7.16,;6.13,-6.76,;7.22,-7.85,;6.82,-9.33,;7.91,-10.42,;9.4,-10.02,;9.8,-8.54,;8.71,-7.45,;3.61,-6.01,;2.21,-5.1,;.87,-4.33,)|
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=NC(C)(C)CO1 |r,t:35|
CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:36|
CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc2cnccc2s1)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:35|
CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(F)c1)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:34|
CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(Cl)c1)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:34|
CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(CN)cs1)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:32|
C[C@@H]1N=C(O[C@@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 |r,c:2|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C)C2=NC(C)(C)[C@@H](O2)c2ccccc2)ccc1CN |r,t:29|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C)C2=NC(C)(C)[C@@H](O2)c2ccccc2)ccc1C(N)=O |r,t:29|
CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(cc1)C(N)=O)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:34|
CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccc(Cl)c1)C(=O)[C@H](N)CCCCN1CCCCC1 |r,c:3|
CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cc(Cl)ccc1-n1cnnn1)C(=O)[C@H](N)CCCCN1CCCCC1 |r,c:3|
CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@H](N)CCCCN1CCCCC1 |r,c:3|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc2cnccc2s1)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:40|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=NC(C)(C)C(O1)c1ccccc1 |r,t:37|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccc(Cl)c1)C(=O)[C@H](N)CCCCN1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C(=O)[C@H](N)CCCCN1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@H](N)CCCCN1CCCCC1 |r,c:2|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](N)CCCCN1CCCCC1 |r,c:2|
COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN2CCCCC2)NC2CCC(CN)CC2)C2=N[C@@H](C)[C@@H](O2)c2ccccc2)ccc1C(N)=O |r,wU:9.8,39.42,17.29,wD:41.46,t:40,(10.67,1.1,;9.34,.32,;8,1.1,;6.67,.32,;5.33,1.1,;4,.32,;2.67,1.1,;1.33,.32,;1.33,-1.22,;,1.1,;,2.64,;-1.33,3.41,;-2.67,2.64,;-2.67,1.1,;-1.33,.32,;-1.33,-1.22,;,-1.99,;-2.67,-1.99,;-2.67,-3.53,;-4,-4.3,;-4,-5.84,;-5.33,-6.61,;-5.33,-8.15,;-6.67,-8.92,;-6.67,-10.46,;-5.33,-11.23,;-4,-10.46,;-4,-8.92,;-4,-1.22,;-5.33,-1.99,;-6.67,-1.22,;-8,-1.99,;-8,-3.53,;-9.34,-4.3,;-10.67,-3.53,;-6.67,-4.3,;-5.33,-3.53,;-1.33,4.94,;-2.58,5.85,;-2.1,7.31,;-2.87,8.65,;-.56,7.31,;-.09,5.85,;.21,8.65,;1.69,8.25,;2.78,9.34,;2.38,10.83,;.9,11.23,;-.19,10.14,;5.33,2.64,;6.67,3.41,;8,2.64,;9.34,3.41,;10.67,2.64,;9.34,4.94,)|
CC(C)NCCCC[C@@H](NC(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:34|
C[C@@H]1N=C(O[C@H]1c1cccc(Br)c1)N1CCN([C@@H](C1)C(=O)NCc1cccc(Cl)c1)C(=O)[C@H](N)CCCCN1CCCCC1 |r,c:2|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1cccc(Br)c1 |r,t:37|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=NC(C)[C@@H](O1)c1cccc(c1)C#N |r,t:35|
CCC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:38|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:41|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC(CN)CC1 |r,wU:16.20,1.0,wD:5.6,34.50,c:2,(-2.06,7.06,;-1.29,5.73,;-1.76,4.26,;-.52,3.36,;.73,4.26,;.25,5.73,;1.02,7.06,;2.56,7.06,;3.33,8.4,;2.56,9.73,;1.02,9.73,;.25,8.4,;-.52,1.82,;-1.85,1.05,;-1.85,-.49,;-.52,-1.26,;.82,-.49,;.82,1.05,;2.15,-1.26,;2.15,-2.8,;3.48,-.49,;4.82,-1.26,;6.15,-.49,;6.15,1.05,;7.48,1.82,;8.82,1.05,;10.28,1.53,;11.19,.28,;10.28,-.97,;10.68,-2.45,;8.82,-.49,;7.48,-1.26,;-.52,-2.8,;.82,-3.57,;-1.85,-3.57,;-3.19,-2.8,;-4.52,-3.57,;-5.85,-2.8,;-7.19,-3.57,;-8.52,-2.8,;-8.52,-1.26,;-9.85,-.49,;-11.19,-1.26,;-11.19,-2.8,;-9.85,-3.57,;-1.85,-5.11,;-.52,-5.88,;-.52,-7.42,;.82,-8.19,;2.15,-7.42,;3.48,-8.19,;3.48,-9.73,;2.15,-5.88,;.82,-5.11,)|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc2cnccc2s1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:40|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC(CN)CC1 |r,wU:16.20,1.0,wD:5.6,33.49,c:2,(-1.91,7.06,;-1.14,5.73,;-1.62,4.26,;-.37,3.36,;.87,4.26,;.4,5.73,;1.17,7.06,;2.71,7.06,;3.48,8.4,;2.71,9.73,;1.17,9.73,;.4,8.4,;-.37,1.82,;-1.71,1.05,;-1.71,-.49,;-.37,-1.26,;.96,-.49,;.96,1.05,;2.29,-1.26,;2.29,-2.8,;3.63,-.49,;4.96,-1.26,;6.3,-.49,;6.46,1.04,;7.96,1.36,;8.73,2.69,;10.27,2.69,;11.04,1.36,;10.27,.03,;8.73,.03,;7.7,-1.12,;-.37,-2.8,;.96,-3.57,;-1.71,-3.57,;-3.04,-2.8,;-4.37,-3.57,;-5.71,-2.8,;-7.04,-3.57,;-8.38,-2.8,;-8.38,-1.26,;-9.71,-.49,;-11.04,-1.26,;-11.04,-2.8,;-9.71,-3.57,;-1.71,-5.11,;-.37,-5.88,;-.37,-7.42,;.96,-8.19,;2.29,-7.42,;3.63,-8.19,;3.63,-9.73,;2.29,-5.88,;.96,-5.11,)|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:37|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC(CN)CC1 |r,wU:16.20,1.0,wD:5.6,31.46,c:2,(-.87,6.29,;-.1,4.96,;-.58,3.49,;.67,2.59,;1.91,3.49,;1.44,4.96,;2.21,6.29,;3.75,6.29,;4.52,7.63,;3.75,8.96,;2.21,8.96,;1.44,7.63,;.67,1.05,;-.67,.28,;-.67,-1.26,;.67,-2.03,;2,-1.26,;2,.28,;3.33,-2.03,;3.33,-3.57,;4.67,-1.26,;6,-2.03,;7.34,-1.26,;8.67,-2.03,;10,-1.26,;10,.28,;8.67,1.05,;8.67,2.59,;7.34,.28,;.67,-3.57,;2,-4.34,;-.67,-4.34,;-2,-3.57,;-3.33,-4.34,;-4.67,-3.57,;-6,-4.34,;-7.34,-3.57,;-7.34,-2.03,;-8.67,-1.26,;-10,-2.03,;-10,-3.57,;-8.67,-4.34,;-.67,-5.88,;.67,-6.65,;.67,-8.19,;2,-8.96,;3.33,-8.19,;4.67,-8.96,;6,-8.19,;3.33,-6.65,;2,-5.88,)|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1ccc(s1)C(N)=O)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC(CN)CC1 |r,wU:16.20,1.0,wD:5.6,32.47,c:2,(-1.32,6.34,;-.55,5,;-1.02,3.54,;.22,2.63,;1.47,3.54,;.99,5,;1.76,6.34,;3.25,5.94,;4.34,7.03,;3.94,8.52,;2.45,8.92,;1.37,7.83,;.22,1.09,;-1.11,.32,;-1.11,-1.22,;.22,-1.99,;1.56,-1.22,;1.56,.32,;2.89,-1.99,;2.89,-3.53,;4.22,-1.22,;5.56,-1.99,;6.89,-1.22,;8.3,-1.84,;9.33,-.7,;8.56,.64,;7.05,.32,;8.96,2.12,;10.45,2.52,;7.87,3.21,;.22,-3.53,;1.56,-4.3,;-1.11,-4.3,;-2.44,-3.53,;-3.78,-4.3,;-5.11,-3.53,;-6.44,-4.3,;-7.78,-3.53,;-7.78,-1.99,;-9.11,-1.22,;-10.45,-1.99,;-10.45,-3.53,;-9.11,-4.3,;-1.11,-5.84,;.22,-6.61,;.22,-8.15,;1.56,-8.92,;2.89,-8.15,;4.22,-8.92,;5.56,-8.15,;2.89,-6.61,;1.56,-5.84,)|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(CN)cs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:37|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:39|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)cc1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:38|
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(F)c(CN)c(F)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:40|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCN(CC1)C1CCC(CC1)C(N)=O)NC1CCC(CC1)C(N)=O |r,wU:16.20,1.0,wD:5.6,29.51,c:2,(.58,7.11,;1.35,5.77,;.87,4.31,;2.12,3.4,;3.36,4.31,;2.89,5.77,;3.66,7.11,;5.14,6.71,;6.23,7.8,;5.83,9.29,;4.35,9.69,;3.26,8.6,;2.12,1.86,;.78,1.09,;.78,-.45,;2.12,-1.22,;3.45,-.45,;3.45,1.09,;4.78,-1.22,;4.78,-2.76,;6.12,-.45,;7.45,-1.22,;8.78,-.45,;8.94,1.09,;10.45,1.41,;11.22,.07,;10.19,-1.07,;2.12,-2.76,;3.45,-3.53,;.78,-3.53,;-.55,-2.76,;-1.89,-3.53,;-3.22,-2.76,;-4.55,-3.53,;-4.55,-5.07,;-3.22,-5.84,;-1.89,-5.07,;-5.89,-5.84,;-7.22,-5.07,;-8.55,-5.84,;-8.55,-7.38,;-7.22,-8.15,;-5.89,-7.38,;-9.89,-8.15,;-9.89,-9.69,;-11.22,-7.38,;.78,-5.07,;2.12,-5.84,;3.45,-5.07,;4.78,-5.84,;4.78,-7.38,;3.45,-8.15,;2.12,-7.38,;6.12,-8.15,;6.12,-9.69,;7.45,-7.38,)|
C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCN(CC1)C1CCCCC1)NC1CCCCC1 |r,c:2|
Cc1cnc(s1)C(=O)N[C@@H]1CCN(C[C@@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
Cc1cnc(s1)C(=O)NC1CCN(CC1C(=O)NCc1ccc(CN)cc1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
Cc1cnc(s1)C(=O)N[C@@H]1CCN(C[C@@H]1C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN)NC1CCCCC1 |r|
Cc1cnc(s1)C(=O)N[C@@H]1CCN(C[C@@H]1C(=O)NCc1ccnc(N)c1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](C1)C(=O)NCc1cccs1 |r|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H](C1)C(=O)NCc1cccs1 |r|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccccc2)[C@H](C1)C(=O)NCc1cccs1 |r|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](C1)C(=O)NCc1cccs1 |r|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@H](C1)C(=O)NCc1cccs1 |r|
NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
NCc1ccc(CNC(=O)[C@H]2CN(CC[C@H]2NC(=O)N2CCC3(CC3)CC2)C(=O)[C@@H](CC2CC2)NC2CCCCC2)cc1 |r|
NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1ccccc1 |r|
NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1ccc(CN)cc1 |r|
Cc1csc(CNC(=O)[C@H]2CN(CC[C@H]2NC(=O)N2CCC3(CC3)CC2)C(=O)[C@@H](CCCCN)NC2CCCCC2)c1 |r|
O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)C(CC1CCNCC1)NC1CCCCC1 |r|
O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)[C@@H](CCCCN1CCCS1(=O)=O)NC1CCCCC1 |r|
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r,wU:33.36,45.52,wD:9.9,(-9.85,-.55,;-8.52,-1.32,;-9.29,-2.65,;-7.75,-2.65,;-7.19,-.55,;-5.85,-1.32,;-4.52,-.55,;-3.19,-1.32,;-1.85,-.55,;-.52,-1.32,;-.52,-2.86,;.82,-3.63,;.82,-5.17,;2.15,-5.94,;3.48,-5.17,;4.95,-4.69,;5.85,-5.94,;4.95,-7.18,;5.35,-8.67,;4.26,-9.76,;2.77,-9.36,;1.68,-10.45,;2.08,-11.94,;3.57,-12.34,;4.66,-11.25,;3.48,-6.71,;3.48,-3.63,;2.15,-2.86,;.82,-.55,;2.15,-1.32,;.82,.99,;-.52,1.76,;-.52,3.3,;.82,4.07,;.82,5.61,;-.52,6.38,;-1.85,5.61,;-.52,7.92,;.82,8.69,;.82,10.23,;-.52,11,;.25,12.34,;-1.29,12.34,;-1.85,10.23,;-1.85,8.69,;2.15,3.3,;2.15,1.76,;3.48,4.07,;3.48,5.61,;4.82,3.3,;6.15,4.07,;7.48,3.3,;7.48,1.76,;8.95,1.29,;9.85,2.53,;8.95,3.78,)|
O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)[C@@H](CCCCNS(=O)(=O)C1CC1)NC1CCCCC1 |r|
O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)[C@@H](CC1CCNCC1)NC1CCCCC1 |r|
CCS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
FC(F)(F)CNCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
CC(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
C[N+](C)(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1ccccc1 |r|
CC(=O)OCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCCc3ccccc23)[C@H](C1)C(=O)NCc1cccs1 |r|
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCCc3ccccc23)[C@H](C1)C(=O)NCc1cccs1 |r|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(C)cc2F)[C@H](C1)C(=O)NCc1cccs1 |r|
CN([C@H](CCCCNS(C)(=O)=O)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1)C1CCCCC1 |r|
CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r,wU:31.34,43.50,wD:7.7,(-9.19,-1.32,;-7.85,-.55,;-7.85,.99,;-6.52,-1.32,;-5.19,-.55,;-3.85,-1.32,;-2.52,-.55,;-1.18,-1.32,;-1.18,-2.86,;.15,-3.63,;.15,-5.17,;1.48,-5.94,;2.82,-5.17,;4.28,-4.69,;5.19,-5.94,;4.28,-7.18,;4.68,-8.67,;3.59,-9.76,;2.1,-9.36,;1.01,-10.45,;1.41,-11.94,;2.9,-12.34,;3.99,-11.25,;2.82,-6.71,;2.82,-3.63,;1.48,-2.86,;.15,-.55,;1.48,-1.32,;.15,.99,;-1.18,1.76,;-1.18,3.3,;.15,4.07,;.15,5.61,;-1.18,6.38,;-2.52,5.61,;-1.18,7.92,;.15,8.69,;.15,10.23,;-1.18,11,;-.41,12.34,;-1.95,12.34,;-2.52,10.23,;-2.52,8.69,;1.48,3.3,;1.48,1.76,;2.82,4.07,;2.82,5.61,;4.15,3.3,;5.48,4.07,;6.82,3.3,;6.82,1.76,;8.28,1.29,;9.19,2.53,;8.28,3.78,)|
CN(CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1)S(C)(=O)=O |r|
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
CS(=O)(=O)N(CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1)CC(F)(F)F |r|
O=C(Nc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCCC2(CCNC2=O)C1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)cccc1-n1cnnn1
COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1cccc(Cl)c1
COc1ccc(Cl)c(CNC(=O)c2cn(Cc3ccc4nc(C)ccc4c3)nn2)c1F
COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1cccc(Cl)c1F
COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1nccc(OC)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ncn1
COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F
COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N(C)C)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ncc1C#N
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)n1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(C)c(OC)c1C
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncccc1C#N
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(Cl)cc1C#N
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(Cl)cc1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)c(C)cn1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(F)cc1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nc(C)ccc1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(C)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(C)c1Cl
COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)n(C)n1
COc1ccc(F)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C#N
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(OC)c1C#N
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C(N)=O
COc1ccc(C#N)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N(C)C)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(F)ccc1-n1cnnn1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cn2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
COCc1nn(Cc2ccc(Cn3ccccc3=O)nc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
COCc1nn(Cc2ccc(CN3CCCCC3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
Fc1cccc(c1CNC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nc1C(F)(F)F)-n1cnnn1
Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(Cl)cccc1-n1cnnn1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ccccc1-n1cnnn1
COCc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
COc1ccc(c(CNC(=O)c2cn(Cc3ccc(nc3)N3CCCC3)nc2C(F)(F)F)c1F)-n1cnnn1
COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
COCc1nn(Cc2ccc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CCN(Cc2c1N)C(=O)OC(C)(C)C
Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CCNCc2c1N
CN1CCc2nn(C(=O)C3CCCc4[nH]c(Cl)cc34)c(N)c2C1
CCc1cc2C(CCCc2[nH]1)C(=O)n1nc2CCN(Cc2c1N)C(=O)OCc1ccccc1
CCc1cc2C(CCCc2[nH]1)C(=O)n1nc(N)c2CN(CCc12)C(=O)OCc1ccccc1
CCc1cc2C(CCCc2[nH]1)C(=O)n1nc2CCNCc2c1N
Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CN(CCc2c1N)C(=O)OC(C)(C)C
Cc1cc2c(cccc2[nH]1)C(=O)n1nc(N)c2CCN(Cc12)C(=O)OC(C)(C)C
Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CNCCc2c1N
Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CN(Cc3ccccc3)CCc2c1N
Cc1cc2c(cccc2[nH]1)C(=O)n1nc(N)c2CCN(Cc3ccccc3)Cc12
Cc1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1
Cc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(Cl)cc13)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(Cl)cc34)c2C1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCNc3ccc(F)cc13)c2N |r|
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3ccc(F)cc13)c2N |r|
CCN1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CCN1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
COc1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1
COc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(cc13)C(F)(F)F)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(cc34)C(F)(F)F)c2C1
Cn1cc2CCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1
Cn1cc2CCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)c1ccccc1
Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)c1ccccc1
CCc1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1
CCc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1
CCc1ccc2NCC[C@H](C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 |r|
CCc1ccc2NCC[C@@H](C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 |r|
Cc1cccc2C(CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O
Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O |r|
Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O |r|
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3c(F)cccc13)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c(F)cccc34)c2C1
CC1(C)CC(C(=O)n2nc3CN(CCc3c2N)S(C)(=O)=O)c2ccccc2N1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ncccc13)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ncccc34)c2C1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CC(=O)Nc3ccc(F)cc13)c2N
CC(C)c1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1
CC(C)c1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1
CC(=O)Nc1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1
CC(=O)Nc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(cc13)-c1ccccc1)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(cc34)-c3ccccc3)c2C1
Cc1cc(F)cc2C(CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O
Cc1cc(F)cc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O
Cc1cc(F)cc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O |r|
Cc1cc(F)cc2[C@@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O |r|
CCc1cc(C)c2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1
CCc1cc(C)c2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3c(Cl)cccc13)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c(Cl)cccc34)c2C1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCNc3c(Cl)cccc13)c2N |r|
COc1cccc2C(CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O
COc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O
COc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O |r|
CCc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c3cccc4C(F)(F)F)c2C1
CCc1cc(C)c2NCC[C@H](C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 |r|
CCc1cc(C)c2NCC[C@@H](C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 |r|
Nc1nn(C(=O)C2CCNc3c(Cl)cccc23)c2CNCCc12
Nc1nn(C(=O)[C@H]2CCNc3c(Cl)cccc23)c2CNCCc12 |r|
Nc1nn(C(=O)[C@@H]2CCNc3c(Cl)cccc23)c2CNCCc12 |r|
Nc1c2COCCc2nn1C(=O)C1CCNc2ccc(F)cc12
Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CCOCc12
Cc1cc(F)cc2[C@H](CCNc12)C(=O)n1nc2COCCc2c1N |r|
Cc1cc(F)cc2[C@@H](CCNc12)C(=O)n1nc2COCCc2c1N |r|
CC1N(CCc2c(N)n(nc12)C(=O)C1CCNc2c(C)cccc12)S(C)(=O)=O
Cc1cc(F)cc2[C@H](CCNc12)C(=O)n1nc2CCNCc2c1N |r|
CN1CCc2nn(C(=O)c3cccc4[nH]c(C)cc34)c(N)c2C1
CN1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1
COC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1
COC(=O)N1CCc2c(C1)c(N)nn2C(=O)C1CCNc2ccccc12
CNC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1
CNC(=O)N1CCc2c(C1)c(N)nn2C(=O)C1CCNc2ccccc12
CS(=O)(=O)N1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1
CCN1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1
CCN1CCc2c(C1)c(N)nn2C(=O)C1CCNc2ccccc12
CC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1
CN1CCc2nn(C(=O)C3CCCc4[nH]ccc34)c(N)c2C1
CN1CCc2c(C1)c(N)nn2C(=O)C1CCCc2[nH]ccc12
CC(=O)N1CCc2c(C1)nn(C(=O)c1cccc3[nH]c(C)cc13)c2N
Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O
Cc1cc2c(cccc2[nH]1)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccccc12)S(=O)(=O)c1ccccc1
Nc1nn(C(=O)C2CCNc3ccccc23)c2CN(CCc12)S(=O)(=O)c1ccccc1
CC(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccccc12)C(=O)c1ccccc1
Nc1nn(C(=O)C2CCNc3ccccc23)c2CN(CCc12)C(=O)c1ccccc1
CNS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CNS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
CNC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
COC(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
COC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccccc12)C(=O)OCc1ccccc1
Nc1nn(C(=O)C2CCNc3ccccc23)c2CN(CCc12)C(=O)OCc1ccccc1
Nc1c2CCNCc2nn1C(=O)C1CCNc2ccccc12
CCC(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CCC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
CC(C)C(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CN(C)C(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CCS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CCS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
CC(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CC(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1
CN(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCCc3[nH]c(Cl)cc13)c2N |r|
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCCc3[nH]c(Cl)cc13)c2N
CS(=O)(=O)N1CCc2c(N)cn(C(=O)C3CCCc4[nH]c(Cl)cc34)c2C1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3ccccc13)c2N |r|
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCNc3ccccc13)c2N |r|
CC(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N
CC(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1
CC(C)(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N
CC(C)(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)CF
Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)CF
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)CC(F)F
Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)CC(F)F
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)C1CC1
Nc1c2CCNCc2nn1C(=O)[C@H]1CCNc2ccc(F)cc12 |r|
Nc1c2CCNCc2nn1C(=O)[C@@H]1CCNc2ccc(F)cc12 |r|
Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CNCCc12
CCCN1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N
CCCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1
CC(C)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N
CC(C)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1
CC(C)CN1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N
CC(C)CN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)c1ccncc1
Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)c1ccncc1
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)c1cccnc1
Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)c1cccnc1
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)C(F)F
Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)C(F)F
CCN1CCc2c(C1)nn(C(=O)C1CCNc3ccc(Cl)cc13)c2N
CCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(Cl)cc34)c2C1
CCN1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N
CCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1
CCN1CCc2c(C1)nn(C(=O)[C@H]1CCNc3ccc(F)cc13)c2N |r|
CCN1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3ccc(F)cc13)c2N |r|
Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)c1ccccn1
CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(cc13)-c1ccncc1)c2N
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(cc34)-c3ccncc3)c2C1
CCN1CCc2c(C1)nn(C(=O)[C@H]1CCNc3c(C)cc(F)cc13)c2N |r|
CCN1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3c(C)cc(F)cc13)c2N |r|
CCN1CCc2c(N)nn(C(=O)C3CCNc4c(C)cc(F)cc34)c2C1
CCN1CCc2c(C1)nn(C(=O)[C@H]1CCNc3c(C)cccc13)c2N |r|
CCN1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3c(C)cccc13)c2N |r|
CCN1CCc2c(N)nn(C(=O)C3CCNc4c(C)cccc34)c2C1
Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CNCCc2c1N |r|
Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CNCCc2c1N |r|
Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCNCc12
CN(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCNc3c(C)cccc13)c2N |r|
Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(=O)(=O)C1CCC1 |r|
Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(=O)(=O)C1CCC1 |r|
Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(=O)(=O)C1CCC1
Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(=O)(=O)C1COC1 |r|
Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(=O)(=O)C1COC1 |r|
Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(=O)(=O)C1COC1
Cc1cccc2C(CCNc12)C(=O)n1nc2CCOCc2c1N
Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2COCCc12
Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CCOCc2c1N |r|
Cc1cc(F)cc2[C@@H](CCNc12)C(=O)n1nc2CCOCc2c1N |r|
Cc1cc(F)cc2[C@H](CCNc12)C(=O)n1nc2CCOCc2c1N |r|
Nc1c2CCOCc2nn1C(=O)C1CCNc2ccc(F)cc12
Nc1c2CCOCc2nn1C(=O)[C@H]1CCNc2ccc(F)cc12 |r|
Nc1c2CCOCc2nn1C(=O)[C@@H]1CCNc2ccc(F)cc12 |r|
Cc1cccc2[C@H](CCNc12)C(=O)n1nc2COCCc2c1N |r|
Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2COCCc2c1N |r|
Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCOCc12
Nc1c2CCOCc2nn1C(=O)[C@@H]1CCNc2c(Cl)cccc12 |r|
Nc1c2CCOCc2nn1C(=O)[C@H]1CCNc2c(Cl)cccc12 |r|
Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCO)CCc2c1N |r|
Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CN(CCO)CCc2c1N |r|
CN1CCC(CC1)Oc1ccc(CNc2ccc3c(N)nccc3c2)cn1
CN1CCC(CC1)Oc1ccc(CNc2cccc3c(N)nccc23)cc1
CN1CCC(CC1)Oc1ccc(CNc2ccc3ccnc(N)c3c2)cc1
CN1CCC(CC1)Oc1ccc(CNc2cnc3[nH]cc(Cl)c3c2)cc1
CN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
Nc1nccc2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12
CN1CCN(Cc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1
CN1CCC(COc2ccc(CNc3ccc4cnccc4c3)cn2)CC1
CN1CCC(COc2ccc(CNc3cccc4c(N)nccc34)cn2)CC1
CCN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
CN1CCC(CC1)OCc1ccc(COc2ccc3c(N)nccc3c2)cc1
CC(C)N1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
CN1CCC(COc2ncc(CNc3ccc4c(N)nccc4c3)cn2)CC1
Nc1nccc2cc(NCc3ccc(OCc4ccncc4)nc3)ccc12
CN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1=O
Nc1nccc2cc(NCc3ccc(OCC4CCNCC4)nc3)ccc12
CC(C)(O)CN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
CN1CCC(COc2ccc(CCc3ccc4c(N)nccc4c3)cn2)CC1
CN1CCC(COc2ccc(CCc3cccc4c(N)nccc34)cn2)CC1
CN1CCC(COc2ccc(CNc3cnc4[nH]cc(Cl)c4c3)cn2)CC1
CN1CCC(COc2ccc(CNc3ccc4c(N)ncnc4c3)cn2)CC1
CN1CCC(COc2ccc(CNc3cccc4c(N)ncnc34)cn2)CC1
Cn1ccnc1CCCOc1ccc(CNc2ccc3c(N)nccc3c2)cn1
CN1CCC(COc2ccc(CNc3ccc4cncc(CO)c4c3)cn2)CC1
COc1nc(OCC2CCN(C)CC2)ccc1CNc1ccc2c(N)nccc2c1
Nc1nccc2cc(NCc3ccc(OCC4CCn5cc(nc5C4)C(F)(F)F)nc3)ccc12
Nc1nccc2c(NCc3ccc(OCC4CCn5ccnc5C4)nc3)cccc12
Nc1nccc2cc(NCc3ccc(OCCCn4ccnc4)nc3)ccc12
CN1CCC(CCOc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
Nc1nccc2c(NCc3ccc(CN4CCOCC4)cc3F)cccc12
Cn1ccnc1CCCOc1ncc(CNc2cccc3c(N)nccc23)cn1
CC(C)N1CC2(CN(Cc3ccc(CNc4cccc5c(N)nccc45)c(F)c3)C2)C1
CC(C)N1CC2(CN(Cc3ccc(CNc4ccc5c(N)nccc5c4)c(F)c3)C2)C1
Cn1ccnc1CCCNc1ncc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1
Nc1nccc2c(NCc3cnc(NCCC(=O)N4CCCC4)nc3)cccc12
Nc1ncc(Cl)c2cc(NCc3cnc(NCCC(=O)N4CCCC4)nc3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12
Nc1nccc2c(NCc3cnc(OCC4CCn5ccnc5C4)nc3)cccc12
Nc1ncc(Cl)c2cc(NCc3cnc(NCC4CCn5ccnc5C4)nc3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccc(NCC4CCn5ccnc5C4)nc3)ccc12
Nc1nccc2c(NCc3ccc(OC4CCn5ccnc5C4)nc3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccc(OC4CCn5ccnc5C4)nc3)ccc12
Nc1ncc(Cl)c2cc(NCc3cnc(OCC4CCn5ccnc5C4)nc3)ccc12
CN1CCC(CNc2ccc(CNc3ccnc(N)c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(C)c4cnccc4c3)cn2)CC1
COc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)cc2ccncc12
Cc1n[nH]c2C(CCc12)Nc1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1
Cc1n[nH]c2C(CCc12)Nc1ccc(CNc2cccc3c(N)nccc23)cn1
Nc1nccc2c(NCc3ccc(nc3)N3CCn4ccnc4C3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCn4ccnc4C3)ccc12
CC(C)(O)[C@@H]1CCN(C1)c1ccc(CNc2cccc3c(N)nccc23)cn1
CC(C)(O)[C@H]1CCN(C1)c1ccc(CNc2cccc3c(N)nccc23)cn1
Nc1nccc2c(NCc3ccc(nc3)N3CC(CO)n4ccnc4C3)cccc12
CC(C)(O)C1CN(Cc2nccn12)c1ccc(CNc2cccc3c(N)nccc23)cn1
Nc1nccc2c(NCc3ccc(nc3)N3Cc4nccn4CC3CO)cccc12
Nc1nccc2c(NCc3ccc(nc3)N3CCn4ccnc4C3CO)cccc12
CC1N(CCn2ccnc12)c1ccc(CNc2cccc3c(N)nccc23)cn1
Nc1nccc2c(NCc3ccc(nc3)N3CCn4nccc4C3)cccc12
CC(C)(O)c1cn2CCN(Cc2n1)c1ccc(CNc2cccc3c(N)nccc23)cn1
CC(C)(O)c1cnc2CN(CCn12)c1ccc(CNc2cccc3c(N)nccc23)cn1
CN1C[C@H]2[C@@H](COc3ccc(CNc4ccc5c(N)nccc5c4)cn3)[C@H]2C1
CC(C)(O)[C@H]1CCN(C1)c1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1
Nc1nccc2c(NCc3ccc(NCCc4nccn4C(F)F)nc3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccc(NCCc4nccn4C(F)F)nc3)ccc12
CN1CCC(CNc2ccc(CNc3ccc4cccnc4c3)cn2)CC1
CN(c1nccn1C(F)F)c1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1
CN1CCC(CNc2ccc(CNc3ccc4cncc(Cl)c4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3cnc4nccnc4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccc4c(N)ncc(Cl)c4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3cccc4c(N)ncc(F)c34)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccc4c(N)ncc(F)c4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc4ccnc(N)c4cn3)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccnc4[nH]ccc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccc4cncc(N5CCCCC5)c4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccc4c[nH]c(=O)cc4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccnc4[nH]c(C)cc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3c(C)cnc4[nH]ccc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3c(F)cnc4[nH]ccc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(F)c4cnccc4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(Cl)c4cnccc4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccc4cnccc4c3Cl)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(CO)c4cnccc4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3cncc4[nH]ccc34)cn2)CC1
COc1ccc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2c1
CNc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)ccn1
CN1CCC(CNc2ccc(CNc3nccc4[nH]ccc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccc4cnccc4c3F)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccnc4[nH]cc(C)c34)cn2)CC1
CN1CCC(CNc2ccc(CNc3cncc4[nH]c(C)cc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(cc4[nH]ccc34)C(F)(F)F)cn2)CC1
CCc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2[nH]1
CN1CCC(CNc2ccc(CNc3cc(Cl)cc4[nH]ccc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccnc4[nH]c(Cl)cc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(F)c4c(N)nccc4c3)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(C)nc4[nH]ccc34)cn2)CC1
COC(=O)c1c[nH]c2nccc(NCc3ccc(NCC4CCN(C)CC4)nc3)c12
CN1CCC(COc2ccc(CNc3ccnc4[nH]c(C)cc34)cn2)CC1
COc1nnc2CN(CCn12)c1ccc(CNc2cccc3c(N)nccc23)cn1
CN1CCC(CNc2ccc(CNc3cncc4[nH]c(Cl)cc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3ccnc4[nH]c(cc34)C(N)=O)cn2)CC1
CN1CCC(CNc2ccc(CNc3ncnc4[nH]c(C)cc34)cn2)CC1
CN1CCC(CNc2ccc(CNc3c(C)cnc4[nH]c(Cl)cc34)cn2)CC1
CN(c1ccc(NCC2CCN(C)CC2)nc1)c1cc(cc2[nH]ccc12)C#N
CN1CCC(CNc2ccc(CNc3ccncc3)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(cc4[nH]c(Cl)cc34)C(F)(F)F)cn2)CC1
CN1CCC(CNc2ccc(CNc3cc(nc4[nH]ccc34)C(O)=O)cn2)CC1
Nc1nccc2c(NCc3ccc(nc3)N3CCC(CC(F)F)C3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCC(CC(F)F)C3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCn4ncc(O)c4C3)ccc12
Nc1nccc2c(NCc3ccc(nc3)N3CCn4nccc4C3CO)cccc12
Nc1nccc2c(NCc3ccc(nc3)N3CCn4ncc(CO)c4C3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CC4(C3)CC(O)c3nccn43)ccc12
Nc1nccc2c(NCc3ccc(nc3)N3CCc4nccn4CC3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCc4nccn4CC3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCn4nccc4C3CO)ccc12
Nc1nccc2c(NCc3ccc(nc3)N3CCn4c(C3)nnc4C(F)F)cccc12
Nc1nccc2c(NCc3ccc(nc3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1nccc2c(NCc3ccc(nc3)N3CCn4cnnc4C3)cccc12
FC(F)c1nnc2CN(CCn12)c1ccc(CNc2ccnc3[nH]c(Cl)cc23)cn1
Cc1cc2c(NCc3ccc(nc3)N3CCn4c(C3)nnc4C(F)F)ccnc2[nH]1
Cc1nnc2CN(CCn12)c1ccc(CNc2cccc3c(N)nccc23)cn1
FC(F)(F)c1nnc2CN(CCn12)c1ccc(CNc2ccnc3[nH]c(Cl)cc23)cn1
CNc1cc(NCc2ccc(nc2)N2CCn3c(C2)nnc3C(F)F)ccn1
Cc1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
FC(F)(F)c1nnc2CN(CCn12)c1ccc(CNc2ccc3cnccc3c2)cn1
Cc1nc(ccc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
CC1N(CCn2c1nnc2C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1
Cn1ncc2CN(CCc12)c1ccc(CNc2cccc3c(N)nccc23)cn1
CC1CN(Cc2nnc(n12)C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1
CC(C)(O)c1cn(nn1)-c1ccc(CNc2cccc3c(N)nccc23)cn1
C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1
C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1
C[C@H]1CN(Cc2nnc(n12)C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1
Nc1nccc2c(NCc3ccc(nc3C(F)(F)F)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1nccc2c(NCc3cnc(cc3Cl)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1nccc2c(NCc3ccc(cc3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1nccc2c(NCc3cnc(cc3C(F)(F)F)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Cc1cc(CNc2cccc3c(N)nccc23)cnc1N1CCn2c(C1)nnc2C(F)(F)F
CC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
Nc1nccc2c(NCc3cnc(cc3C3CC3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
CC(C)c1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
CCc1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
Cc1nnc2CCN(CCn12)c1ccc(CNc2cccc3c(N)nccc23)cn1
CC1Cn2c(CN1c1ccc(CNc3cccc4c(N)nccc34)cn1)nnc2C(F)(F)F
Nc1nccc2c(NCc3ccc(nc3)N3CCn4ncc(O)c4C3)cccc12
Cc1cc(ncc1CNc1ccnc2[nH]c(Cl)cc12)N1CCn2c(C1)nnc2C(F)(F)F
CC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2ccnc3[nH]c(Cl)cc23)cn1
C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2ccnc3[nH]c(Cl)cc23)cn1
C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2ccnc3[nH]c(Cl)cc23)cn1
Nc1nccc2c(NCc3ccc(nc3)N3CCn4c(C3)nnc4C(F)(F)F)nccc12
COCC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
CC[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
CC[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
Cc1cc(ncc1CNc1ccc2nccn2c1)N1CCn2c(C1)nnc2C(F)(F)F
Cc1cc(ncc1CNc1ccnc(N)c1)N1CCn2c(C1)nnc2C(F)(F)F
CCC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
CN(Cc1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F)c1cccc2c(N)nccc12
Cc1cc(ncc1CNc1ccc2c(N)nccc2c1)N1CCn2c(C1)nnc2C(F)(F)F
Cc1cc(ncc1CNc1ccc2c(N)ncc(Cl)c2c1)N1CCn2c(C1)nnc2C(F)(F)F
Nc1nccc2c(NCc3cnc(N4CCn5c(C4)nnc5C(F)(F)F)c(CO)c3)cccc12
CCc1nc(ccc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
Nc1nccc2c(NS(=O)(=O)c3ccc(nc3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Cc1cc(ncc1CNc1ccnc2NCCc12)N1CCn2c(C1)nnc2C(F)(F)F
Cc1cc2c(NCc3cnc(cc3C)N3CCn4c(C3)nnc4C(F)(F)F)cncc2[nH]1
C[C@@H]1Cn2c(CN1c1cc(C)c(CNc3cccc4c(N)nccc34)cn1)nnc2C(F)(F)F
COC[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
COC[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cnc(CNc2cccc3c(N)nccc23)c(C)c1
C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cnc(CNc2cccc3c(N)nccc23)c(C)c1
CN1CCC(CCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1
CN1CCC(CCc2ccc(CNc3cccc4c(N)nccc34)cc2)CC1
CN1CCN(CC1)C(=O)Cc1ccc(CNc2ccc3c(N)nccc3c2)cc1
CN1CCN(CCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1
CN1CCN(CCc2ccc(CNc3ccc4c(N)nccc4c3)c(F)c2)CC1
CN1CCN(CCc2ccc(CNc3cccc4c(N)nccc34)c(F)c2)CC1
Nc1nccc2c(NCc3ccc(CCN4CCOCC4)cc3F)cccc12
CN1CCN(CCc2ccc(CNc3ccc4c(N)ncc(Cl)c4c3)c(F)c2)CC1
CN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)cc1
CN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)cc1
CN1CCC(CC1)OCc1ccc(CNc2ccc3nc(N)ccc3c2)cc1
CN1CCC(CC1)OCc1ccc(CNc2ccc3cc(N)ncc3c2)cc1
CN1CCC(CC1)OCc1ccc(CNc2ccc3cnc(N)cc3c2)cc1
CN(Cc1ccc(COC2CCN(C)CC2)cc1)c1ccc2c(N)nccc2c1
CN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
CN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(Cl)c1
CN1CCC(CC1)OCc1ccc(CNc2ccc3cnccc3c2)cc1
CN1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)C(F)(F)C1
Nc1nccc2cc(NCc3ccc(COC4CCN(CC4)C4CC4)cc3)ccc12
Nc1nccc2cc(NCc3ccc(COC4CCN(CC(F)F)CC4)cc3)ccc12
CN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
CN1C[C@H]2CC1C[C@H]2OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
CN1C[C@H]2CC1C[C@@H]2OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
CC(=O)N1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
CCN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
CCN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
CN(Cc1ccc(COC2CCN(C)CC2)cc1Cl)c1cccc2c(N)nccc12
CN(Cc1ccc(COC2CCN(C)CC2)cc1)c1ccc2cnccc2c1
CN1CCC(CC11COC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
CN1CC2(CC(C2)OCc2ccc(CNc3cccc4c(N)nccc34)c(F)c2)C1
Cn1ccnc1COCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
Cn1ccnc1CCOCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
CN1CC(CCC1=O)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
CN1CCC(CC1)OCc1ccc(cc1)S(=O)(=O)Nc1ccc2c(N)nccc2c1
Cn1ccnc1CC(=O)NCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)c(F)c1
Nc1ncc(Cl)c2cc(NCc3ccc(CCN4CCOCC4)cc3F)ccc12
CC(C)N1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
CN1CC2(C1)CC(CS2)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
Nc1nccc2c(NCc3ccc(cc3)N3CC4(C3)CC(O)c3nccn43)cccc12
CN1[C@H]2COC[C@@H]1CC(C2)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 |TLB:0:1:3.4.5:7.8.9|
Nc1nccc2c(NCc3ccc(cc3F)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Cc1cc(ccc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
CN1CCC(Cn2cc(CNc3ccc4c(N)nccc4c3)cn2)CC1
CN1CCC(CCn2cc(CNc3ccc4c(N)nccc4c3)cn2)CC1
CN1CCC(CCn2cc(CNc3cccc4c(N)nccc34)cn2)CC1
CN1CCC(CC1)Oc1cc(CNc2ccc3c(N)nccc3c2)ccn1
CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
CN1CCC(COc2cc(CNc3ccc4cnccc4c3)ccn2)CC1
CN1CCC(COc2cc(CNc3ccc4c(N)ncnc4c3)ccn2)CC1
CN1CCC(COc2cc(CNc3cnc4[nH]cc(Cl)c4c3)ccn2)CC1
CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)cc(n2)C(F)(F)F)CC1
Nc1nccc2cc(NCc3ccnc(OCC4CCn5cc(nc5C4)C(F)(F)F)c3)ccc12
Nc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
CN1CCC(COc2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1
CN1CC2C(COc3cc(CNc4ccc5c(N)nccc5c4)ccn3)C2C1
CN1CC2CCC(C1)C2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1
CN1CCC(COc2cc(CNc3cc4ccnc(N)c4cn3)ccn2)CC1
CN1CCC(COc2cc(CNc3ccnc4c(N)nccc34)ccn2)CC1
CN1CCC(COc2cc(CNc3nccc4c(N)ccnc34)ccn2)CC1
CC(=O)N1CC2CC1CC2COc1cc(CNc2cccc3c(N)nccc23)ccn1
CC(=O)N1CC2CC1CC2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1
CN1CC2CC1CC2COc1cc(CNc2cccc3c(N)nccc23)ccn1
CN1CC2CC1CC2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1
CN1CC2CCC(C1)C2COc1cc(CNc2cccc3c(N)nccc23)ccn1
CN1C[C@@H](COc2cc(CNc3cccc4c(N)nccc34)ccn2)OC1=O
CN1C[C@H](COc2cc(CNc3cccc4c(N)nccc34)ccn2)OC1=O
CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)cc(n2)C(F)(F)F)CC1
Cn1ccnc1CCOc1cc(CNc2cccc3c(N)nccc23)ccn1
Cn1ccnc1CCOc1cc(CNc2ccc3c(N)nccc3c2)ccn1
CN1CCC(CNc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
CN1CCC(CNc2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1
CN1CCC(CNc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
Nc1nccc2cc(NCc3cccc(CN4CCCC4)c3)ccc12
CN1CCN(CCc2cccc(CNc3ccc4c(N)nccc4c3)c2)CC1
CN1CCC(CC1)NC(=O)c1cc(CNc2cccc3c(N)nccc23)ccn1
CN1CCC(COc2cc(CNc3cnc4c(N)nccc4c3)ccn2)CC1
CC(C)N1C[C@H]2C[C@@H]1CN2Cc1cc(CNc2cccc3c(N)nccc23)ccn1
CC(C)N1CCC(CC1)OCc1cc(CNc2ccc3c(N)ncc(Cl)c3c2)ccn1
CC(C)N1CC2CCC(C1)C2COc1cc(CNc2cccc3c(N)nccc23)ccn1
Nc1nccc2c(NCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12
CC(C)N1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
Cn1ccc(COc2cc(CNc3cccc4c(N)nccc34)ccn2)cc1=O
Nc1nccc2c(NCc3ccnc(NCCC(=O)N4CCCC4)c3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(NCC4CCn5ccnc5C4)c3)ccc12
Nc1nccc2c(NCc3ccnc(OC4CCn5ccnc5C4)c3)cccc12
Nc1ncc(F)c2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
Nc1ncc(F)c2c(NCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12
Cc1cn2CCC(COc3cc(CNc4ccc5c(N)ncc(Cl)c5c4)ccn3)Cc2n1
Cc1cn2CCC(COc3cc(CNc4cccc5c(N)nccc45)ccn3)Cc2n1
Cc1cnc2CC(COc3cc(CNc4cccc5c(N)nccc45)ccn3)CCn12
CN1CCC(CCc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
CN1CCC(CCc2cccc(CNc3ccc4c(N)nccc4c3)c2)CC1
Nc1nccc2cc(NCc3ccnc(OCC4CCn5cnnc5C4)c3)ccc12
Nc1nccc2cc(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)ccc12
Cc1nnc2CC(COc3cc(CNc4ccc5c(N)nccc5c4)ccn3)CCn12
CC(Oc1cc(CNc2ccc3c(N)nccc3c2)ccn1)C1CCN(C)CC1
CN1CCC(F)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1=O
CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1=O
CN1C[C@H]2C(COc3cc(CNc4cccc5c(N)nccc45)ccn3)[C@H]2C1
CN(Cc1ccnc(OCC2CCN(C)CC2)c1)c1cccc2c(N)nccc12
Cn1ccnc1CCCOc1cc(CNc2ccc3c(N)nccc3c2)ccn1
Cn1ccnc1CCCOc1cc(CNc2cccc3c(N)nccc23)ccn1
Cn1ccnc1COc1cc(CNc2ccc3c(N)nccc3c2)ccn1
Cn1ccnc1COc1cc(CNc2cccc3c(N)nccc23)ccn1
CN1CCC(C)(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
CN1CCC(C)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
CN1CCN(CC1)c1cc(CNc2cccc3c(N)nccc23)ccn1
CN1CCN(CC1)c1cc(CNc2ccc3c(N)ncc(Cl)c3c2)ccn1
Nc1ncc(Cl)c2cc(NCc3ccnc(NCCC(=O)N4CCCC4)c3)ccc12
Nc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ncc12
Nc1nccc2c(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)cccc12
Nc1nccc2c(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(OC4CCn5ccnc5C4)c3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(OCc4ccn5ccnc5c4)c3)ccc12
Nc1nccc2cc(NCc3ccnc(c3)-c3cccc(CN4CCCC4)c3)ccc12
CN1CC(C1)C1CN(C1)c1cc(CNc2ccc3c(N)nccc3c2)ccn1
Nc1nccc2c(NCc3ccnc(c3)N3CCn4ccnc4C3)cccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(c3)N3CCn4ccnc4C3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)ccc12
Cc1n[nH]c2C(CCc12)Nc1cc(CNc2ccc3c(N)ncc(Cl)c3c2)ccn1
CC(C)N1CCC(CN(CCCO)C(=O)c2cccc(CNc3cccc4c(N)nccc34)c2)CC1
Cc1cn2CC[C@@H](COc3cc(CNc4ccc5c(N)ncc(Cl)c5c4)ccn3)Cc2n1
Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCCn5ccnc45)c3)ccc12
Cc1cnc2C[C@@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)CCn12
Cc1cnc2C[C@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)CCn12
Cc1cn2CC[C@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)Cc2n1
Cc1cn2CC[C@@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)Cc2n1
Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5c(CO)cnc5C4)c3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5cc(CO)nc5C4)c3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@H]4CCCn5ccnc45)c3)ccc12
Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@@H]4CCCn5ccnc45)c3)ccc12
Nc1nccc2c(CCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12
CN(c1ccnc(OCC2CCN(C)CC2)c1)c1ccc2ncc(=O)[nH]c2c1
CN1CCC(COc2cc(CNc3ccnc4[nH]ccc34)ccn2)CC1
CN(c1ccnc(OCC2CCN(C)CC2)c1)c1cnc2[nH]cc(C#N)c2c1
CN1CCC(COc2cc(CNc3cccc4c(N)ncc(F)c34)ccn2)CC1
COc1cc(NCc2ccnc(OCC3CCN(C)CC3)c2)cc2ccncc12
CNC(=O)c1cc(cc2ccncc12)N(C)c1ccnc(OCC2CCN(C)CC2)c1
CN1CCC(COc2cc(CNc3cc(C)c4cnccc4c3)ccn2)CC1
CN1CCC(COc2cc(CNc3ccnc4[nH]c(C)cc34)ccn2)CC1
CN1CCC(COc2cc(CNc3ccc4cnccc4c3F)ccn2)CC1
Nc1nccc2c(NCc3ccnc(OCC4CCn5c(C4)nnc5C(F)F)c3)cccc12
Cn1c(COc2cc(CNc3cccc4c(N)nccc34)ccn2)nnc1C1CC1
CN1CCC(COc2cc(CNc3ccc(F)c4c(N)nccc34)ccn2)CC1
COc1ccc(NCc2ccnc(OCC3CCN(C)CC3)c2)c2ccnc(N)c12
Nc1nccc2cc(NCc3ccnc(c3)N3CCn4c(C3)nnc4C(F)(F)F)ccc12
Nc1nccc2c(NCc3ccnc(c3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1ncc(Cl)c2cc(NCc3cccc(CC(=O)N4CCn5ccnc5C4)c3)ccc12
Nc1nccc2c(NCc3cc(cs3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1nccc2c(NCc3ccc(cn3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1nccc2c(NCc3cnc(cn3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1nccc2c(NCc3cnc(nc3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Nc1nccc2c(NCc3ccc(nn3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12
Cc1cc(cnc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
Cc1cc(nc(C)c1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
CC1N(CCn2c1nnc2C(F)(F)F)c1cnc(CNc2cccc3c(N)nccc23)c(C)c1
CC1N(CCn2c1nnc2C(F)(F)F)c1cnc(CNc2cccc3c(N)nccc23)c(F)c1
Nc1nccc2c(cccc12)N1CCCC1c1ccc(nc1)N1CCn2c(C1)nnc2C(F)F
Nc1nccc2c(cccc12)N1CCCC1c1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F
Nc1nccc2c(cccc12)N1CCC[C@H]1c1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F
Nc1nccc2c(cccc12)N1CCC[C@@H]1c1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F
CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3)C(C)C |r|
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 |r|
CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC[C@H](C)NC(=O)[C@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r|
[O-]S(=O)(=O)Oc1cc(OCc2ccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)cc2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O
COc1ccc(cc1)C(=O)n1nnc2ccccc12
COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1cccnc1
Nc1nc(nn1C(=O)c1ccccc1)-c1cccnc1
Nc1nc(nn1C(=O)c1cccc(c1)[N+]([O-])=O)-c1cccnc1
Brc1ccc(cc1)C(=O)n1nnc2ccccc12
COc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
COc1cccc(\C=C(/C#N)c2nc3ccccc3[nH]2)c1
COC(=O)c1ccc(\C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1
N#C\C(=C/c1ccccc1)c1nc2ccccc2[nH]1
Cc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1
Cc1cc(C)n(n1)C(=O)c1ccco1
[O-][N+](=O)c1cccc(c1)C(=O)n1nnc2ccccc12
O=C(c1ccco1)n1nnc2ccccc12
COc1cc(OC)cc(c1)C(=O)n1nnc2ccccc12
COc1ccccc1C(=O)n1nnc2ccccc12
Nc1nc(nn1C(=O)c1cccc(c1)[N+]([O-])=O)-c1ccccc1
Cc1ccc2nc([nH]c2c1)C(=C\c1ccccc1)\C#N
COc1ccc(\C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1
COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC
Clc1ccc(cc1)C(=O)n1nnc2ccccc12
Brc1ccc(o1)C(=O)n1nnc2ccccc12
[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/OCC1(C)COC1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:3.2.1:6|
[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/OCc1ccsc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:1.2.3:6|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3ncn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(cc3)[N+]([O-])=O)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
Cc1ccc(C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N3)cc1 |r|
NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(I)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](CC1=O)c1cccc(Cl)c1 |r,t:17|
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cccc(Cl)c1 |r,t:17|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r|
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CCCCN |r|
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22|
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NC1CCC(F)(F)CC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](C)(C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C#N |r|
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@](C)(C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C#N |r|
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NC(C)C(F)F)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
Nc1nc(nn1C(=O)C1CCOCC1)-c1ccccn1
Nc1nc(nn1C(=O)C1CCCCC1)-c1ccccn1
Nc1nc(nn1C(=O)\C=C\c1ccccc1)-c1ccccn1
Nc1nc(nn1C(=O)CNC(=O)c1ccccc1)-c1ccccn1
Nc1nc(nn1C(=O)Cc1ccccc1I)-c1ccccn1
Nc1nc(nn1C(=O)Cc1ccccc1)-c1ccccn1
Nc1nc(nn1C(=O)c1ccco1)-c1ccccn1
Nc1nc(nn1C(=O)c1ccc(NC(=O)c2ccccc2)cc1)-c1ccccn1
Nc1nc(nn1C(=O)c1ccc(NC(=O)C(F)(F)F)cc1)-c1ccccn1
Nc1nc(nn1C(=O)[C@H]1CCCc2ccccc12)-c1ccccn1 |r|
Nc1nc(nn1C(=O)c1ccc2ccccc2c1)-c1ccccn1
Nc1nc(nn1C(=O)c1cccc2ccccc12)-c1ccccn1
Nc1nc(nn1C(=O)c1cccnc1)-c1ccccn1
Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1ccccn1
Nc1nc(nn1C(=O)c1ccc(Br)cc1)-c1ccccn1
Nc1nc(nn1C(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccccn1
Nc1nc(nn1C(=O)c1ccccc1[N+]([O-])=O)-c1ccccn1
Nc1nc(nn1C(=O)c1ccc(cc1)C(F)(F)F)-c1ccccn1
CCc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccccn1
COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccccn1
Cc1ccc(cc1C)C(=O)n1nc(nc1N)-c1ccccn1
Cc1cccc(c1)C(=O)n1nc(nc1N)-c1ccccn1
Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N
CCOc1ccc(Nc2n[nH]c(NC(=O)c3ccccc3)n2)cc1
O=C(Nc1nc(Nc2ccccc2)n[nH]1)c1ccccc1
O=C(Nc1nc(Nc2cccnc2)n[nH]1)c1ccccc1
O=C(Nc1nc(n[nH]1)-c1ccncc1)C1CCCCC1
O=C(Nc1nc(n[nH]1)-c1ccccn1)Oc1ccccc1
Cc1ccc(cc1)S(=O)(=O)Nc1nc(n[nH]1)-c1ccncc1
O=C(Nc1nc(n[nH]1)-c1ccncc1)c1ccccc1
O=C(Nc1nc(n[nH]1)-c1cccnc1)c1ccccc1
O=C(Nc1nc(n[nH]1)-c1ccccn1)c1ccccc1
O=C(Nc1nnc([nH]1)-c1ccccc1)c1ccccc1
Nc1n[nH]c(n1)-c1ccncc1
Nc1n[nH]c(n1)-c1ccccn1
Nc1n[nH]c(n1)-c1ccccc1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(N)cc1
[#7]\[#6](-[#7])=[#7]\c1ccc(-[#8]-[#6](=O)-c2cc3cc(-[#6]Cl)ccc3oc2=O)cc1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(NC(N)=N)cc1
NC(=N)Nc1ccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)cc1
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-c1nccs1
[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N
CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
[#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 |t:17|
NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
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[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC2=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC1=O)C(N)=O)[C@@H](C)O |r|
Oc1ccc(Cl)cc1NC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
NC(=N)c1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1
CC(O)C1NC(=O)C2CSCc3cc(CSCC(NC(=O)C(C)N)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)N4CCCC4C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)N2)cc(CSC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NC1=O)C(=O)NC(C)C(N)=O)c3
CC(C)CC1NC(=O)C(CC(O)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NCC(C)NC(=O)C2CSCc3cc(CSCC(NC(C)=O)C(=O)NC(CO)C(=O)NC(Cc4ccccc4)C(=O)N4CCC4C(=O)NC(Cc4ccc(O)cc4)C(=O)NC(CCCNC(N)=N)C(=O)N2)cc(CSC(NC1=O)C(N)=O)c3
CC(C)C1NC(=O)C(CC(N)=O)NC(=O)C2CSCc3cc(CSCC(NC(=O)C(CCCNC(N)=N)NC1=O)C(=O)NC(C)C(N)=O)cc(CSCC(NC(=O)C(C)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)N2)c3
Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Nc1nccc2cc(ccc12)-c1cccc(c1)B(O)O
CC1(C)OB(OC1(C)C)C(N)c1cccc(Cl)c1
CC1(C)OB(OC1(C)C)C(NC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1
Cc1ccc(C(NC(=O)c2cnn(Cc3ccccc3)c2)B2OC(C)(C)C(C)(C)O2)c(F)c1
OB(O)C(NC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1
[O-]S(=O)(=O)Oc1cc(OS([O-])(=O)=O)cc(c1)C(=O)O[C@H]1[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@@H]1OC(=O)c1cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c1 |r|
COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccccn1
CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccc[nH]c1=O
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1
CN1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)cc2)CC1
CN1CCN(c2ccc(C(=O)n3nc(-c4ccncc4)nc3N)cc2)CC1
CN(C)CCN(C)c1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)cc2)CC1
Cc1cc(C(=O)n2nc(-c3ccccn3)nc2N)ccc1N1CCN(C(C)C)CC1
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccc(F)cn4)nc3N)cc2)CC1
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccc(Cl)cn4)nc3N)cc2)CC1
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3c2OCCO3)CC1
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CC3)CC2)c2ccccc12
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3COC3)CC2)c2ccccc12
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CCCC3)CC2)c2ccccc12
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CCCCC3)CC2)c2ccccc12
CN(C)C(=O)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
CC(C)S(=O)(=O)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
CC(C)N1CCCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
Nc1nccc2c(NCC34COC(COc5ccn6ccnc6c5)(C3)C4)cccc12
N=C(N)c1ccc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2c1
Nc1nccc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc12
N=C(N)c1ccc2cc(OC(=O)c3cc4cc(CCl)ccc4oc3=O)ccc2c1
N=C(N)c1ccc2cc(OC(=O)c3cc4cc(Br)ccc4oc3=O)ccc2c1
Cc1ccc2oc(=O)c(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)cc2c1
N=C(N)c1ccc2cc(OC(=O)c3cc4cc(CO)ccc4oc3=O)ccc2c1
COc1ccc2oc(=O)c(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)cc2c1
COc1ccc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)oc2c1
COc1ccc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)oc2c1
COc1cc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)oc2cc1OC
COc1cc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)oc2cc1OC
N=C(N)c1ccc2cc(OC(=O)c3cc4ccccc4sc3=O)ccc2c1
COc1cc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)sc2cc1OC
COc1cc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)sc2cc1OC
c1ccc(cc1)C(=N)N
[H]/N=C(\c1ccc2cc(ccc2c1)O)/N
c1ccc2c(c1)ccnc2N
Cn1c(=N)sc2ccccc21
[#7]\[#6](-[#7])=[#7]\c1ccccc1
C[C@@H](O)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N |r|
CSCC[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N |r|
CC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2 |TLB:37:36:1:5.4|
NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)|
[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccc(-[#8])cc4)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-2)c3 |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:49.53,39.41,15.18,4.4,67.69,78.79,wD:44.46,28.37,21.21,8.7,60.61,61.64,72.73,(35.87,-21.17,;35.39,-22.64,;36.42,-23.78,;33.89,-22.96,;33.41,-24.43,;31.91,-24.74,;30.88,-23.61,;31.35,-22.14,;29.38,-23.93,;28.98,-25.42,;27.31,-25.23,;26.98,-23.59,;28.43,-22.76,;28.71,-21.25,;30.13,-20.65,;27.49,-20.32,;27.67,-18.79,;29.09,-18.19,;26.07,-20.92,;24.84,-19.99,;25.03,-18.46,;23.43,-20.59,;23.32,-22.14,;21.64,-22.27,;21.01,-20.72,;22.26,-19.63,;22.26,-18.08,;23.6,-17.31,;20.94,-17.31,;19.6,-18.08,;18.27,-17.31,;16.94,-18.07,;15.6,-17.3,;14.28,-18.06,;14.28,-19.59,;12.94,-17.29,;20.94,-15.78,;19.58,-15,;18.27,-15.75,;19.58,-13.48,;20.93,-12.7,;18.23,-12.71,;18.23,-11.16,;19.56,-10.39,;16.91,-10.39,;15.57,-11.17,;16.91,-8.84,;15.59,-8.08,;14.25,-8.85,;15.59,-6.53,;16.91,-5.77,;18.26,-6.54,;14.26,-5.77,;14.26,-4.23,;15.59,-3.46,;12.93,-3.46,;12.93,-1.91,;34.45,-25.56,;33.97,-27.03,;35.96,-25.24,;36.98,-26.38,;36.51,-27.85,;35,-28.17,;37.54,-28.99,;38.49,-26.06,;38.96,-24.6,;39.52,-27.2,;41.02,-26.88,;41.49,-25.42,;42.06,-28.03,;41.58,-29.49,;43.56,-27.7,;44.59,-28.85,;44.12,-30.31,;45.15,-31.45,;46.09,-28.52,;46.57,-27.06,;47.13,-29.67,;48.63,-29.34,;49.11,-27.88,;50.61,-27.56,;51.75,-28.58,;53.08,-27.81,;52.76,-26.32,;53.66,-25.07,;53.03,-23.67,;51.5,-23.51,;50.6,-24.75,;51.23,-26.16,;49.66,-30.49,;51.16,-30.17,;49.18,-31.95,)|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:43.52,21.21,4.4,73.75,91.94,wD:53.58,28.37,15.18,8.7,64.66,85.88,(34.21,-17.42,;34.19,-18.94,;35.53,-19.73,;32.84,-19.7,;32.82,-21.23,;31.48,-21.98,;30.16,-21.2,;30.17,-19.66,;28.82,-21.95,;28.87,-23.49,;27.22,-23.79,;26.43,-22.32,;27.57,-21.09,;27.4,-19.56,;28.64,-18.65,;25.99,-18.95,;24.75,-19.86,;23.34,-19.25,;25.82,-17.42,;24.41,-16.81,;23.17,-17.71,;24.16,-15.28,;25.41,-14.36,;24.62,-12.88,;22.97,-13.17,;22.73,-14.83,;21.43,-15.65,;21.48,-17.19,;20.07,-14.93,;18.76,-15.75,;18.81,-17.28,;17.51,-18.1,;17.57,-19.64,;16.26,-20.45,;14.9,-19.74,;16.31,-21.99,;20,-13.39,;18.65,-12.67,;18.59,-11.13,;17.35,-13.49,;15.98,-12.77,;14.68,-13.58,;14.73,-15.12,;13.32,-12.86,;13.27,-11.32,;14.57,-10.51,;14.68,-8.97,;16.16,-8.6,;16.98,-9.91,;15.99,-11.08,;12.01,-13.68,;10.66,-12.96,;10.6,-11.42,;9.35,-13.77,;9.41,-15.31,;8.1,-16.13,;7.99,-13.05,;7.93,-11.52,;9.24,-10.7,;6.58,-10.79,;6.52,-9.25,;34.15,-22.02,;34.13,-23.57,;35.48,-21.28,;36.82,-22.07,;36.8,-23.62,;38.11,-24.4,;38.09,-25.96,;36.74,-26.72,;39.4,-26.73,;38.14,-21.32,;38.16,-19.8,;39.48,-22.11,;40.81,-21.37,;40.82,-19.85,;42.18,-19.08,;42.22,-17.57,;43.57,-16.83,;44.88,-17.63,;46.23,-16.87,;44.85,-19.16,;43.51,-19.9,;42.15,-22.16,;42.13,-23.72,;43.47,-21.42,;44.81,-22.21,;44.8,-23.78,;43.43,-24.53,;46.14,-21.47,;46.15,-19.95,;47.48,-22.26,;48.8,-21.51,;48.82,-20,;50.18,-19.24,;50.19,-17.72,;51.55,-16.95,;51.57,-15.43,;50.15,-22.31,;51.47,-21.57,;50.14,-23.88,)|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:57.71,41.50,34.34,13.17,4.4,88.91,wD:71.77,52.54,28.31,21.20,8.8,82.85,(43.75,-11.47,;44.15,-12.95,;45.63,-13.35,;43.06,-14.04,;43.46,-15.52,;42.37,-16.61,;40.89,-16.22,;40.49,-14.73,;39.79,-17.31,;40.19,-18.8,;38.31,-16.92,;37.22,-18.01,;37.62,-19.49,;35.73,-17.61,;35.33,-16.12,;36.42,-15.03,;36.02,-13.54,;37.91,-15.43,;34.65,-18.7,;33.16,-18.3,;32.76,-16.81,;32.07,-19.39,;32.55,-20.87,;31.05,-21.61,;29.88,-20.42,;30.64,-18.93,;30.05,-17.5,;30.99,-16.28,;28.52,-17.31,;27.59,-18.52,;26.07,-18.32,;27.94,-15.88,;26.41,-15.68,;25.47,-16.9,;25.82,-14.25,;26.84,-13.08,;25.73,-11.81,;24.19,-12.47,;24.33,-14.14,;23.24,-15.23,;23.64,-16.72,;21.75,-14.83,;21.35,-13.35,;19.86,-12.95,;19.46,-11.47,;17.97,-11.06,;17.57,-9.57,;18.66,-8.48,;16.08,-9.18,;20.66,-15.92,;19.17,-15.52,;18.77,-14.04,;18.08,-16.61,;18.49,-18.1,;16.6,-16.22,;15.51,-17.31,;15.91,-18.8,;14.03,-16.92,;13.62,-15.43,;14.71,-14.34,;16.23,-14.57,;16.92,-13.2,;15.84,-12.12,;15.91,-10.59,;14.63,-9.75,;13.26,-10.45,;13.18,-11.98,;14.47,-12.82,;12.94,-18.01,;11.45,-17.61,;11.04,-16.12,;10.36,-18.7,;10.76,-20.18,;12.25,-20.58,;8.87,-18.3,;7.78,-19.39,;8.18,-20.88,;6.3,-18.99,;5.21,-20.08,;44.95,-15.93,;45.35,-17.41,;46.04,-14.83,;47.53,-15.23,;47.92,-16.72,;49.41,-17.11,;48.61,-14.14,;48.21,-12.65,;50.1,-14.53,;51.19,-13.45,;50.79,-11.95,;51.88,-10.87,;51.48,-9.38,;49.99,-8.98,;52.56,-8.29,;52.67,-13.84,;53.76,-12.75,;53.08,-15.33,)|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](-[#8])=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3 |r|
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CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r|
CC(C)(C)[C@@H](O)C(=O)N1CCSC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r|
CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r|
CN1CCN([C@@H](C1)C(=O)NCc1cc(Cl)ccc1CN)C(=O)[C@H](O)C(C)(C)C |r|
CC(C)(C)[C@@H](O)C(=O)N1CCNC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r|
CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r|
CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r|
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1
CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 |r|
OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r|
CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r|
c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O
Oc1cc(Cl)ccc1NC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
Oc1ccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)cc1
Oc1cccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
Oc1ccccc1NC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5
Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)Cc3ccc(NC(N)=N)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(cc3)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(cc3)-c3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3csc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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