1197 SMILES Strings for Tissue-type plasminogen activator

Compound Name
SMILES String
O=c1cc(C2CCNCC2)n2ncc(-c3ccccc3)c2[nH]1
O=c1cc(C2CCNCC2)n2ncc(-c3ccccn3)c2[nH]1
COCc1nn2c(cc(=O)[nH]c2c1-c1ccc(OC)cc1)C1CCNCC1
Fc1ccc(cc1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3cccnc3)c2[nH]1
COc1ccccc1-c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1 |(-.12,5.71,;-.12,4.17,;1.36,3.77,;2.45,4.86,;3.94,4.46,;4.34,2.97,;3.25,1.88,;1.76,2.28,;.67,1.19,;-.86,1.35,;-1.63,2.69,;-1.48,-.06,;-.34,-1.09,;-.34,-2.63,;.99,-3.4,;2.33,-2.63,;3.66,-3.4,;2.33,-1.09,;.99,-.32,;-1.67,-3.4,;-3.01,-2.63,;-4.34,-3.4,;-4.34,-4.94,;-3.01,-5.71,;-1.67,-4.94,)|
Cc1nn2c(cc(=O)[nH]c2c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C#N)C1CCNCC1
CCOC(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1ccc(Br)cc1)C1CCNCC1
COCc1nn2c(cc(=O)[nH]c2c1-c1ccccc1)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3cccc(OCc4ccccc4)c3)c2[nH]1
NC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(C#N)c2[nH]1
CCOC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
OC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(OCc1ccccc1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1nn2c(cc(=O)[nH]c2c1-c1ccc(Cl)cc1)C1CCNCC1
CC(C)CNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(NCc1ccccc1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(N1CCOCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1
O=c1cc(C2CCNCC2)n2nc(cc2[nH]1)-c1cccs1
O=c1cc(C2CCNCC2)n2nc(cc2[nH]1)C1CC1
Fc1ccc(cc1)-c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1
COC(=O)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1
Brc1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
O=c1cc(C2CCNCC2)n2nc3CCCc3c2[nH]1
Brc1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCCc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(no3)-c3ccccc3)c2[nH]1
Cc1ccc(cc1)S(C)(=O)=NC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(N=S1(=O)CCOCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCOC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
Cc1ccc(cc1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC1CC(CCN1)c1cc(=O)[nH]c2c(Cl)cnn12
NC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
O=C(NCc1ccccc1)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
O=C(N1CCOCC1)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
CC(C)CNC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
Cc1ccc(cc1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
OC(=O)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1
O=c1cc(C2CCNCC2)n2ncc(-c3ccc(cc3)C#N)c2[nH]1
Clc1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3ccccc3C#N)c2[nH]1
O=c1cc(C2CCNCC2)n2ncc(-c3cccc(c3)C#N)c2[nH]1
CC1CC(CCN1)c1cc(=O)[nH]c2c(cnn12)C(N)=O
Fc1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(cc1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(cc1OC)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CS(=O)(=O)c1ccc(cc1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1ccccc1-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(cc1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3cccs3)c2[nH]1
COc1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3ccc4OCCOc4c3)c2[nH]1
COc1ccc(OC)c(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccccc1-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1ccc(cc1)-c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
CC1CC(CCN1)c1cc(=O)[nH]c2c(cnn12)C#N
Cc1csc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccccc1-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3cc(cs3)C#N)c2[nH]1
COc1ccc(cn1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)Oc1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)Oc1ccccc1-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1ccc(cc1Cl)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(c2[nH]1)S(=O)(=O)c1ccccc1
Clc1ccc(c(Cl)c1)S(=O)(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(Nc1cccc2ccccc12)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(F)cc1NC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(NCC1CCCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CN(CC1CC1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCc1cccc(NC(=O)c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c1
Cc1cc(F)ccc1NC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(NC1CCOC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(NCCN1CCNC1=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCCn1ccnc1CNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(NC(=O)c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1C
Cc1ccccc1CNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1c(Cl)cccc1NC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COCCCNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
NC(=O)CCNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(NCCC1CCCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC1(CCC1)NC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(NCCN1CCOC1=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)(C)CNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(NC1(Cc2ccccc2)CC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
OC1CCN(CC1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCCN(CC)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CN(Cc1ccccc1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCC(=O)N1CCN(CC1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CN(CCC(N)=O)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(N1CCNC(=O)CC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC1(F)CCN(C1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CN(CC(F)(F)F)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC1CCCN(C1C)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COCC(C)(C)c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(Cc4ccccc4)no3)c2[nH]1
CCc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(no3)C3CCC3)c2[nH]1
Fc1ccc(s1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(no3)-c3ccco3)c2[nH]1
FC(F)(F)c1cccc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1cccc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)Oc1ccc(cc1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1cc(ccc1C)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(cc1F)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(cc1C(F)(F)F)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1cccc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1ccccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(cc1F)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(cc1Cl)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)Oc1cccc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1cccc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1ccc(cc1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(C)c1
Cc1ccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(c1)C(F)(F)F
Cc1ccc(cc1C)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(Cl)c1
Cc1ccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(F)c1
Fc1c(Cl)cccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1cccc(n1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1cc(ccc1C(F)(F)F)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1cc(ccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)C(F)(F)F
FC(F)(F)c1ccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(Cl)c1
Fc1ccc(Cl)cc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1cc(Cl)cc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1cc(ccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)C(F)(F)F
Cc1c(Cl)cccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(Cl)cc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(cc1Cl)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1cccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c1Cl
Fc1ccc(cc1Cl)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(Cl)cc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1cccc(n1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccnc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1ncccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)Oc1ccc(cc1Cl)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1cc(Cl)c(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(Cl)c1
Clc1cc(Cl)cc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(c1)C(F)(F)F
Clc1cccc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(C)c1
FC(F)(F)Oc1ccccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(cc1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1ccc(cc1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1ccc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(F)c1
Fc1ccccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(cc1)-c1ccc(cc1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(cc1)-c1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1cccc(c1)-c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)(C)c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(cc1)-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(o3)-c3ccc(cc3)C#N)c2[nH]1
Cn1cncc1-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1cccc(c1)-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(cc1)-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccccc1-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccccc1-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COCc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(o3)C3CC3)c2[nH]1
FC(F)(F)c1cccc(c1)-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(o3)C3CCCC3)c2[nH]1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(o3)-c3ccco3)c2[nH]1
CC(C)(C)c1ccc(cc1)-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(Cc4ccccc4)o3)c2[nH]1
Clc1ccc(cc1)-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC4CCCCC4)o3)c2[nH]1
Cc1cc(ccn1)-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccccc1-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(o3)-c3ccncc3)c2[nH]1
Fc1ccccc1-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nc(sc1-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
FC(F)(F)c1ccc(cn1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccncc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1cc(F)c(cc1F)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CS(=O)(=O)Cc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)CCCc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(no3)C3CCN(CC3)C3CC3)c2[nH]1
CC(C)(C)c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1ccc(Cc2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(Cl)c1
CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CN(C)c1ccc(cc1F)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccccc1Cc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
NC(=O)c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)S(=O)(=O)Cc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1cnc(-c2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(F)c1
CN1CCC(Cc2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)CC1
COC(=O)c1ccc(cc1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
[O-][N+](=O)c1cccc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COCCc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(no3)-c3ccncc3)c2[nH]1
Nc1cccc(c1)-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1ccccc1Cc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1ccc(Cc2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
CCOC(=O)c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
NCc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1ccc(Cc2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1Cl
Cc1ccc(Cc2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
CC(c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)c1ccccc1
Fc1ccccc1-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1cccc(Cc2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c1
Fc1c(Cl)cccc1-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccccc1-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(cc1)-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
OC(=O)c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1cccc(Cc2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c1
CC(C)(c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)c1ccccc1
Fc1ccc(Cc2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
Cc1ccccc1-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1cccc(c1)-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1cccc(c1)-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3noc(Cc4ccccc4)n3)c2[nH]1
Cc1c(Cl)cccc1-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(Cl)cc1-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(cc1)-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)c1ccc(-c2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(Cl)c1
Clc1ccc(cc1)-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1cc(Cl)cc(c1)-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1ccc(Cl)cc1-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)Oc1ccccc1-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(cc1Cl)-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
OC(c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)c1ccccc1
FC(F)(F)Oc1ccc(Cc2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
COc1c(F)cc(Cc2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1F
CCC(c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)c1ccc(OC)cc1
COc1ccc(cc1)C(C)(C)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3noc(n3)C3CCOCC3)c2[nH]1
FC(F)Oc1ccc(Cc2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
COc1ccc(cc1)C1(CC1)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(Cc2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(F)c1
COc1ccc(Cc2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1F
Cc1ccc(cc1Cl)-c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(-c2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(c1)C(F)(F)F
Cc1nc(C)c(s1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(Cc2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cn1
CC(C)Oc1ccc(Cc2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
Cc1ncc(s1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(Nc1cnn2c(cc(=O)[nH]c12)C1CCNCC1)c1ccccc1
CC(C)(c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)c1ccc(F)cc1
CC(C)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)(C)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCC1=[S]C(=C(C)N1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1 |t:2,4|
CC(C)C1=[S]C(=C(C)N1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1 |t:3,5|
FC(F)(F)c1ccccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3noc(n3)C34CCC(CC3)CC4)c2[nH]1
CCc1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3cc(no3)-c3ccccc3)c2[nH]1
CC(C)N1CCC(CC1)c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCc1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(cs3)-c3ccccc3)c2[nH]1
Fc1ccccc1-c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1c(Cl)cccc1-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)Oc1ccc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
FC(F)(F)Oc1ccc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
CC(C)(C)c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1sc(nc1-c1ccccc1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccccc1-c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1cccc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c1
CC(C)(c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)n1cncn1
Clc1ccccc1Cc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1cnc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)s1
Clc1ccc(cc1)C1(CC1)c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Fc1cccc(Cl)c1Cc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccccc1Cc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(CN1CCOCC1)c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CCN4CCOCC4)o3)c2[nH]1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CCc4ccccc4)o3)c2[nH]1
Clc1ccc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(Cc4ccccn4)o3)c2[nH]1
Oc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
NC(=S)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(o3)-c3cccs3)c2[nH]1
FC(F)(F)Cc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Clc1ccccc1-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CN4CCCCC4)o3)c2[nH]1
O=C1CCCN1Cc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(o3)C3CCCCC3)c2[nH]1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(o3)C3CCC3)c2[nH]1
CCCCc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)C(C)(C)C)C1CCNCC1
COCCc1noc(n1)-c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(Cc2ccc(F)cc2)no1)C1CCNCC1
CCc1noc(n1)-c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)c1noc(n1)-c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(CCOC(C)(C)C)no1)C1CCNCC1
CC(C)(C)CC1CC(CCN1)c1cc(=O)[nH]c2c(cnn12)-c1nc(no1)C(C)(C)C
CC(C)CCc1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccc(cc1)C1(CC1)c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)-c1ccc(C)cc1)C1CCNCC1
CC(CF)(CF)c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCc1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(cc1)-c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(cs3)C3CC3)c2[nH]1
Cc1ccc(-c2csc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(C)c1
CC(C)OC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CN(Cc1cc(C)on1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCNC(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CN(Cc1cccnc1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CN(C)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
O[C@@H]1CCN(C1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1 |r|
C[C@@H]1CCN(C1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1 |r|
O=C(N1CCCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(O)=O)C1CCNCC1
CC1(C)CCN(Cc2cnn3c(cc(=O)[nH]c23)C2CCNCC2)C1
C[C@H]1CCCN1C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1 |r|
FC1(F)CN(C1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(N1CCCCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nc(sc1C)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1ccc(C)c(c1)-c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC1(C)CN(Cc2cnn3c(cc(=O)[nH]c23)C2CCNCC2)CCO1
O=c1cc(C2CCNCC2)n2ncc(-c3nnc(Cc4cccnc4)o3)c2[nH]1
CC(C)(C)c1cnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2nc3CCCCc3c2[nH]1
Cc1sc(nc1C(F)(F)F)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3nc(cs3)C3CCCCC3)c2[nH]1
ClC1(CC1)c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)Oc1ccccc1-c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nnc(o1)C(C)(C)C)C1CCNCC1
Cc1noc(n1)-c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nnc(o1)C1CCC1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)C(F)(F)F)C1CCNCC1
CN(C)Cc1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(CN3CCCC3)c2[nH]1
O=c1cc(C2CCNCC2)n2ncc(C3CC3)c2[nH]1
O=c1cc(C2CCNCC2)n2ncc(CN3CCS(=O)(=O)CC3)c2[nH]1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)C1CC1(C)C)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)-c1ccccc1OC(F)(F)F)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(CN3CCOCC3)c2[nH]1
CC(C)(C)C[C@@H]1C[C@@H](CCN1)c1cc(=O)[nH]c2c(cnn12)-c1nc(no1)-c1ccccc1F |r|
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)C1CCCCC1)C1CCNCC1
FC(F)(F)c1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FCCCOC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)COC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)COC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)CCOC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(OC1CCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCCOC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(N1CCC11CCOCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
C[C@H](N(C)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)c1ccccc1 |r|
CN(Cc1ccccn1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC1(F)CCN(CC1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
C[C@H]1CCCN1Cc1cnn2c(cc(=O)[nH]c12)C1CCNCC1 |r|
Cc1nn2c(cc(=O)[nH]c2c1C(=O)OC1CCC1)C1CCNCC1
CCCOC(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)OC(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)OCC(F)(F)F)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C1CC1)C1CCNCC1
Cc1nc(sc1-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccc(cc1)C(F)(F)F
CC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3coc(n3)-c3ccccc3)c2[nH]1
O=c1cc(C2CCNCC2)n2ncc(-c3ccns3)c2[nH]1
Brc1nn2c(cc(=O)[nH]c2c1C#N)C1CCNCC1
Cn1nccc1-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3cnc(s3)N3CCOCC3)c2[nH]1
CCC(C)(C)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)Cc1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCCCCCc1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3noc(n3)C3CC3)c2[nH]1
CC1(CC1)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC1CC1c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)=Cc1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1 |(5.75,5.52,;4.26,5.12,;3.17,6.21,;3.86,3.64,;2.37,3.24,;1.9,1.77,;.36,1.77,;-.12,3.24,;1.13,4.14,;-.73,.68,;-2.26,.84,;-2.89,-.56,;-1.75,-1.59,;-1.75,-3.13,;-.41,-3.9,;.92,-3.13,;2.26,-3.9,;.92,-1.59,;-.41,-.82,;-3.08,-3.9,;-4.41,-3.13,;-5.75,-3.9,;-5.75,-5.44,;-4.41,-6.21,;-3.08,-5.44,)|
O=c1cc(C2CCNCC2)n2ncc(-c3noc(C=C4CCCC4)n3)c2[nH]1 |(2.27,-4.6,;.93,-3.83,;-.4,-4.6,;-1.73,-3.83,;-3.07,-4.6,;-4.4,-3.83,;-5.73,-4.6,;-5.73,-6.14,;-4.4,-6.91,;-3.07,-6.14,;-1.73,-2.29,;-2.88,-1.26,;-2.25,.14,;-.72,-.02,;.37,1.07,;-.11,2.54,;1.14,3.44,;2.38,2.54,;3.87,2.93,;4.27,4.42,;5.73,4.9,;5.73,6.44,;4.27,6.91,;3.37,5.67,;1.91,1.07,;-.4,-1.52,;.93,-2.29,)|
O=c1cc(C2CCNCC2)n2ncc(-c3noc(n3)C3CCCC3)c2[nH]1
CC1(CCCC1)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC1CCCC1c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC(F)(F)Cc1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=c1cc(C2CCNCC2)n2ncc(-c3noc(n3)C3CCCO3)c2[nH]1
FC(F)(F)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)(c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)C(F)(F)F
FC1(F)CC(C1)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
FC1(F)CCC(CC1)c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COCc1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COCCCc1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC1CCCCN1C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCSCC1)C1CCNCC1
COC[C@@H]1CCCN1C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1 |r|
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCCCC1)C1CCNCC1
CCN(C1CC1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CN(C1CCC1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
COCC1CCCN(C1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
COC1CCN(CC1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCCc2ccccc12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCC2CCCCC2C1)C1CCNCC1
CCCN(CC1CC1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)NC(C)(C)C)C1CCNCC1
CC(C)C1CCCN(C1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCCC2(CC2)C1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1Cc2ccccc2C1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCN2CCCC2C1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCc2ccccc12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CC2CCCCC2C1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCc2ccccc2C1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCCC1)C1CCNCC1
CC1CCN(CC1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)NC1CCCC1)C1CCNCC1
CC(C)CNC(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CC1CN(CC(C)O1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCCC(C)(C)C1)C1CCNCC1
CC1CC(C)CN(C1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)NC1CCC1)C1CCNCC1
CCN(Cc1ccccc1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CCN(C)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CN(CC1CC1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCOC(C)(C)C1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCOCC1(C)C)C1CCNCC1
CN(Cc1ccccn1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCC(F)(F)C1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCNC(=O)CC1)C1CCNCC1
CN(C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1)c1ccccc1C
CCCN(CC)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CN(Cc1ccccc1C)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)N1CCC(C)(C)CC1)C1CCNCC1
CN(C1CCCC1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
CN(Cc1ccccc1)C(=O)c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
COc1ccccc1-c1noc(n1)-c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)-c1ccccc1F)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(Cc2ccccc2Cl)no1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)-c1ccccc1C)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)-c1cccc(Cl)c1)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)-c1ccc(cc1)C(F)(F)F)C1CCNCC1
CC(C)Cc1sc(nc1C)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COc1c(F)cc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1F
Cc1nn2c(cc(=O)[nH]c2c1-c1nnc(o1)-c1ccccc1F)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1-c1nc(Cc2ccc(O)cc2)no1)C1CCNCC1
COc1ccc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1F
CC(=C)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1sc(nc1-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccccc1
O=C(C1CCCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CCC(C)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
O=C(C1CC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
COC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)C(F)(F)F
CCOC(=O)c1c(SC)nn2c(cc(=O)[nH]c12)C1CCNCC1
CC(C)(C)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
OC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)C(F)(F)F
CCOC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)C(F)(F)F
CCCOC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)C(F)(F)F
CC(C)OC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)C(F)(F)F
Cc1nn2c(cc(=O)[nH]c2c1C(=O)OCC(C)(F)F)C1CCNCC1
CC1(C)CCN(C1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
CC(F)(F)COC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)OCCCF)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)OCC(F)F)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)OCCC(F)(F)F)C1CCNCC1
Cc1nn2c(cc(=O)[nH]c2c1C(=O)OC(C)(C)C)C1CCNCC1
CSc1nn2c(cc(=O)[nH]c2c1C(O)=O)C1CCNCC1
CCCOC(=O)c1c(SC)nn2c(cc(=O)[nH]c12)C1CCNCC1
NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1O
NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(Cl)c1O
NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O
CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2cc3cc(C(N)=N)c(F)cc3[nH]2)c1O |r|
NC(=[NH2+])c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O
NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cc(Cl)cc(Cl)c1O
NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O
NC(=[NH2+])c1cc2[nH]c(nc2cc1Cl)-c1cccc(-c2ccccc2)c1[O-]
CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N
Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N
Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N
Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N
c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I
c1ccc2c(c1)cc(s2)C(=[NH2+])N
c1cc2cc(sc2nc1)C(=[NH2+])N
c1ccc(cc1)C(=[NH2+])N
NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1[O-]
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1[O-] |r|
[#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3cc2-[#8])cn1
[#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3cc2-[#8])cc1
Nc1[nH]c2ccc(NC(=O)c3cc4ccccc4cc3O)cc2[nH+]1
Nc1[nH]c2ccc(NC(=O)c3cccc(-c4ccccc4)c3O)cc2[nH+]1
CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1 |r|
[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)S([#7])(=O)=O
[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)S(=O)(=O)[#7]-c1ccccc1
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S([#7])(=O)=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-c1ccccc1-[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-c1cccc(c1)-[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6]-[#6](-[#8])=O
[#6]-[#7](-[#6]-[#6](-[#8])=O)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6](-[#8])=O)-c1ccccc1
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6](-[#8])=O)-[#6]-c1ccccc1
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6](-[#8])=O
[#6]-[#6](-[#6])-[#6@@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
[#6]C([#6])([#6])[#6@@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
[#6]-[#6@H](-[#7](-[#6]-c1ccccc1)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
[#6]C([#6])([#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]1)[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#8]-[#6]-[#6]1)[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
[#6]-[#7](-[#6])-[#6]-[#6]-[#7](C1([#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
[#6]-[#6]-[#8]-[#6](=O)C1([#6]-[#6]-[#6]-[#6]1)[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-[#6]-[#6]-[#8]
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)C1([#6]-[#6]-[#6]-[#6]1)[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C
CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#7]-[#6](=O)-[#7]C23[#6]-[#6]-4-[#6]-[#6](-[#6]-[#6](-[#6]-4)-[#6]2)-[#6]3)cc1 |TLB:22:13:20:17.16.18,THB:22:17:20:14.21.13,18:17:14:21.20.19,18:19:14:17.16.22,12:13:20:17.16.18|
[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N
[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)\N
Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Oc1cc(cc(O)c1O)C(=O)OCCOC(=O)c1cc(O)c(O)c(O)c1
Oc1cc(cc(O)c1O)C(=O)O[C@@H]1CCCC[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Oc1cc(cc(O)c1O)C(=O)O[C@@H]1CCCC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Oc1cc(cc(O)c1O)C(=O)Oc1ccccc1OC(=O)c1cc(O)c(O)c(O)c1
Oc1cc(cc(O)c1O)C(=O)OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r,w:15.16|
Oc1cc(cc(O)c1O)C(=O)OCC(COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1
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|
CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|
CN(C)CCOC(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|
CN1CCC(CC1)OC(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|
COC(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OC)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OC)N1CC[C@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OC)N1CC[C@@H](O)C1=O |r|
Cc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1cncn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CCCC1=O |r|
Cc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|
Cc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CC[C@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CC[C@@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c2ccc(s2)Cl)C(=O)OCCc3nccn3C)N4CC[C@@H](C4=O)O
CN1c2ccc(cc2OC1=O)N3C=C(C(=O)N(C3=O)[C@@H]4CCc5c4cccc5C(F)(F)F)C(=O)O
Cc1c(S(=O)(=O)Nc2ccc(-c3nc(C(=O)O)cs3)cc2S(C)(=O)=O)sc2ccc(F)cc12
CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r|
CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C
NC(=N)NCc1ccc(cc1)C1CC\C(OC1=O)=C\I
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|
NC(=N)NC(=O)c1nc(-c2cc3c(F)cccc3o2)c(nc1N)N1CCCCCC1
COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(nc1N)N1CCCCCC1
COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1 |r|
COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|
CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
CC[C@@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
CC(C)(C)[C@@H](Oc1nc(Oc2cc(cc(c2)-c2cccc(CN)c2)C#N)c(F)cc1F)C(O)=O |r|
CC[C@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
CC(C)(C)[C@@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
Cc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|
C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CSCC1C(=O)N[C@@H](CCCNC(N)=N)C=O
[#6][C@]([#7]-[#6](=O)C(F)(F)F)([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O
CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=N)C=O
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
[#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
[#6]C([#6])([#6])[#8]-[#6](=O)-[#7][C@@]([#6])([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O
[#6]-[#6][C@]([#7]-[#6](=O)C(F)(F)F)([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
[H][C@]12CCCC[C@@]1([H])C[C@H](NC2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O
C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
CCCCNC(=O)c1ccn2c(NCc3ccc(NC(N)=N)cc3)cnc2c1
NC(=N)c1ccc(\C=C2\N=C(OC2=O)c2ccccc2)cc1 |c:9|
CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
[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|
N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1 |wU:21.24,wD:1.0,(8.57,-5.29,;9.89,-4.53,;9.89,-2.99,;11.24,-2.22,;12.55,-2.99,;13.9,-2.22,;13.9,-.68,;12.58,.09,;11.23,-.68,;8.57,-2.21,;7.23,-2.98,;5.9,-2.21,;5.9,-.67,;7.23,.1,;8.57,-.67,;11.24,-5.3,;11.24,-6.84,;12.72,-4.89,;13.26,-3.44,;14.8,-3.51,;15.22,-5,;13.92,-5.85,;13.86,-7.39,;12.49,-8.1,;15.15,-8.21,;16.52,-7.51,;17.82,-8.32,;17.78,-9.66,;18.86,-11.05,;17.78,-12.17,;18.86,-13.25,;17.85,-10.92,;16.76,-9.44,)|
N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(N)=O
N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1
CCN(CC)C(=O)CN[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl
N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl
CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21|
NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3ncn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1
COC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
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|
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|
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|
NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCCC1
COC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
CC(C)OC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
CNC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1
NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1
CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCC(C1)C(=O)NCc1ccccc1
CCOC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
c1ccc(cc1)C(=N)N
NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCl)CCCNC(N)=N
NC(=N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12
NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1
CCCc1ccc(cc1)S(=O)(=O)N[C@@H](CC#Cc1ccc(NC)cc1)C(=O)N(C)C1CCCC1
CNc1ccc(cc1)C#CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(C)C1CCCC1
CNc1ccc(cc1)C#CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)C(=O)N(C)C1CCCC1
CNc1ccc(cc1)C#CC[C@H](NS(=O)(=O)c1ccc2CCCCc2c1)C(=O)N(C)C1CCCC1
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|
COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O |r|
NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4cnccc4s3)C2=O)c1
NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 |r|
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1
NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1
COc1ccc2sc(cc2n1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccnc(c2)C(N)=O)c1
NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC1=O)C(O)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(N)=O)NC(C)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)NC(C)=O |r|
CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
CC(O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C1O)C(N)=N
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
NC(=N)N1CCCC(NC(=O)[C@H]2CCCN2C(=O)C(CO)NC(=O)OCc2ccccc2)C1O
NC(=N)N1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1O
C[C@H](NC(=O)[C@@](C)(CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C1O)C(N)=N
NC(=N)N1CCC[C@H](NC(=O)C2CCN2C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1O
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
C[C@@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
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](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|
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](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[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|
Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
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)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|
CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OC[C@@H](N)c2c1 |r|
CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r|
CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@@H]1CNc2cccc(CC(O)=O)c2O1 |r|
CC(C)c1cc(CCOc2ccccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|
COc1cccc(C(O)=O)c1OCCc1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r|
CC(C)c1cc(CCN2CCc3cccc(C(O)=O)c23)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|
CC(C)c1cc(CCOc2c(C)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|
CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|
CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r|
COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r|
CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)CN1CCc2cccc(C(O)=O)c12 |r|
CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)Cn1ccc2cccc(C(O)=O)c12 |r|
COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1ccc2OCOc2c1)C(N)=N
CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O
NC(=N)c1ccc2nc([nH]c2c1)-c1c(O)cccc1O
NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Br)ccc1O
NC(=N)c1ccc2nc([nH]c2c1)-c1ccc2ccccc2c1O
Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1
NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Br)c1O
NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
COc1c(cccc1-c1ccccc1)-c1cc2cc(ccc2[nH]1)C(N)=N
NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(Br)c1O)[N+]([O-])=O
CCN(CC)c1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1
NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
NC(=N)c1ccc2oc(cc2c1)-c1cccc(-c2ccccc2)c1O
NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)[N+]([O-])=O
Cc1cc(Br)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Cc1cc(Br)c(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(-c2ccccc2)c1O
COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1)-c1ccccc1
NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(Br)c1O
NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O
NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(F)c1O
NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1
COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Cn1c(nc2ccc(cc12)C(N)=N)-c1cccc(-c2ccccc2)c1O
Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1
NC(=N)c1cccc(c1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1ccc2[nH]c(cc2c1Cl)-c1cccc(-c2ccccc2)c1O
NC(=N)c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O
COc1cc2[nH]c(cc2cc1C(N)=N)-c1cccc(c1O)-c1ccccc1
Cc1cc2[nH]c(cc2cc1C(N)=N)-c1cccc(-c2ccccc2)c1O
NC(=N)c1cc2cc([nH]c2cc1O)-c1cccc(-c2ccccc2)c1O
NC(=N)c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O
[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1Br
[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1C#Cc1ccccc1
[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-c1ccccn1 |w:12.13|
[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-c1ccccc1 |w:12.13|
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)cc1-[#8]-c1ccccc1
[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-c1cccc(c1)-[#6](-[#8])=O |w:12.13|
[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |w:12.13|
[#6]-[#8]-c1ccc(-[#6]=[#6]-c2cc(Cl)cnc2\[#7]=[#6](\[#7])-[#7])cc1 |w:6.5|
Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12
Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12
[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N
NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
CCOc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1O
NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O
CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCO2)c1O
NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC[C@H]2CCCN2)c1O
CCOc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
C[C@H]1CC(C)(C)C[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCNC2)c1O
NC(=N)c1cc2[nH]c(nc2cc1Cl)-c1cccc(OC2CCCC2)c1O
NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccccc2)c1O
C[C@H]1CC[C@H](CC1)Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O |wD:4.7,1.0,(9.17,-1.34,;7.63,-1.36,;6.84,-.03,;5.3,-.05,;4.56,-1.4,;5.34,-2.73,;6.87,-2.71,;3.02,-1.43,;2.22,-.1,;2.97,1.25,;2.17,2.57,;.63,2.54,;-.11,1.19,;-1.65,1.17,;-2.54,-.09,;-4.01,.37,;-5.32,-.44,;-6.66,.32,;-7.99,-.47,;-6.69,1.86,;-5.37,2.64,;-4.03,1.91,;-2.58,2.4,;-8.04,2.61,;-9.37,1.81,;-8.06,4.14,;.68,-.12,;-.07,-1.48,)|
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
C[C@H]1CCC[C@@H](C1)Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=N)c1O
CCOc1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O
CCOc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=N)c1O
CC(C)COc1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2O)cc1
NC(=N)c1ccc(NC(=O)c2cc(ccc2O)[N+]([O-])=O)cc1
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cc1
Cc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N
CCOc1ccc(C(=O)Nc2ccc(cc2)N=C(N)N)c(O)c1
[#7]\[#6](-[#7])=[#7]/c1ccc(-[#7]-[#6](=O)-c2cccc(c2-[#8])-c2ccccc2)cc1
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1
NC(N)=Nc1ccc(NC(=O)c2ccccc2O)cc1
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cn1
Cc1ccc(C(=O)Nc2ccc(cc2)C(N)=N)c(O)c1
Cc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N
CCOc1ccc(C(=O)Nc2ccc(cc2)C(N)=N)c(O)c1
Cc1cccc(C(=O)Nc2ccc(cc2)N=C(N)N)c1O
NC([NH-])=[NH+]c1ccc(NC(=O)c2cc(ccc2O)[N+]([O-])=O)cc1
COc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(cc1)N=C(N)N
COc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(N=C(N)N)nc1
NC(=N)c1ccc(NC(=O)c2cccc(c2O)-c2ccccc2)cc1
CC(C)Oc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(cc1)N=C(N)N
NC(N)=Nc1ccc(NC(=O)c2cccc(Cl)c2O)cc1
NC(N)=Nc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1
COc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N
Cc1cccc(C(=O)Nc2ccc(cc2)C(N)=N)c1O
NC(=N)c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1
COc1cc(C)ccc1C(=O)N(C)c1ccc(cc1)N=C(N)N
NC(N)=Nc1ccc(NC(=O)c2cc(Br)ccc2O)cc1
Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N
NC(=N)c1ccc(NC(=O)c2cccc(Cl)c2O)cc1
NC(=N)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1
Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N
CC(C)Oc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(N=C(N)N)nc1
COc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N
NC(=N)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2O)cn1
CC(O)C(N(C)C(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)c1ccccc1
NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc2c(Cl)cccc2c1)C(=O)c1nccs1
NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc2cccnc12)C(=O)c1nccs1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N1CCN(CC(=O)NC(CCCNC(N)=N)C(=O)c2nccs2)C(=O)C1
NC(=N)NCCC[C@@H](NC(=O)CN1CCN(CC1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
NC(=N)NCCC[C@@H](NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1nccs1
NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc2ccccc2c1)C(=O)c1nccs1
NCc1ccc(Cl)c(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
NCc1cccc(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
Cc1ccc(CN)cc1NC(=O)CN1CCCCC(NC(=O)c2ccc(cc2)-c2ccccc2)C1=O
NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)N
CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
O=C(Nc1ccc2cc(ccc2c1)C#N)c1ccccc1
CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N
CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N
[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)N
NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCNC(C3CCCC3)c2c1
[H]/N=C(c1ccc2ccccc2c1)/N
NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CNCCc2c1
CC(C)CC1NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12
CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N
[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)N
NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1
NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)C(N)=O
CCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC2CCCC2)c1
NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|
Cc1cc(C(=O)Nc2ccc(cc2F)N2CCOCC2=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2CN)n(n1)-c1cc2ccccc2cc1F
CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1 |c:4|
CN(C)C(=N)c1ccc(NC(=O)c2cc(nn2-c2cc3ccccc3cc2F)C(F)(F)F)c(F)c1
CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
C[N+]1(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CCCC1
C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNCC3)cc2)nc1
OC1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1C |t:32|
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCCC3)cc2)nc1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCOC3=N)cc2)nc1
CCN(CC)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3)cc2)nc1
CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNC3=S)cc2)nc1
NC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CNC(=N)N(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(C)CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(CCN(C)C(C)=N)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(=N)c1ccccc1
CNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
NC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|
OC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CCOC(=O)CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(C[n+]3ccccc3)cc2)nc1
CN(CCO)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1 |t:32|
NC1=NCCCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3=O)cc2)nc1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNC3=O)cc2)nc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CNCCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
NC1=NCCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|
CN\C(=N\C)N(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(CCN(C)C(N)=N)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCS1 |t:32|
COCCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
NC1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCOCC3)cc2)nc1
CN(C)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CCOC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCO1 |t:32|
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(N)=N
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N
CN(C)C1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:3|
CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|
CN(CC(O)=O)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1 |c:4|
OC(=O)[C@@H]1[C@@H](CCC2CCCNC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O)C(C)C
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1
COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
COc1ccc2ccc(cc2c1-c1ccoc1)C(N)=N
COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N
CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1
[H]/N=C(\c1ccc2cccc(c2c1)N)/N
CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
CCSc1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1
c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN
NC(=N)c1ccc2cc(cc(C3CCOC3)c2c1)C(=O)Nc1ccccc1
[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N
[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)-c1ccccc1
[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(Br)cc12
[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccccc12
[#7]\[#6](-[#7])=[#7]/c1nccc2ccccc12
[#7]\[#6](-[#7])=[#7]\c1ccc2ccccc2n1
[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(-[#8]-[#6]-c3ccccc3)cc12
[#7]\[#6](-[#7])=[#7]\c1nccc2c(cccc12)-c1ccccc1
[#6]-c1ccc(cc1)-c1ccc2c(Cl)cnc(\[#7]=[#6](\[#7])-[#7])c2c1
[#7]\[#6](-[#7])=[#7]/c1nccc2c(Br)cccc12
[#6]-[#8]-c1ccccc1-c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
[#7]\[#6](-[#7])=[#7]\c1nccc2c(-[#8]-[#6]-c3ccccc3)cccc12
[#7]\[#6](-[#7])=[#7]/c1ncc(Br)c2ccccc12
CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1
C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
FC(F)(F)c1cc(COc2ccc(\C=C\Cn3oc(=O)[nH]c3=O)cc2)cc(c1)C(F)(F)F
C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(COc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
CC\C(=C/Cn1oc(=O)[nH]c1=O)c1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2ccccn2)c1
Clc1ccc(COc2cc(OCc3ccc(Cl)cc3)cc(\C=C\Cn3oc(=O)[nH]c3=O)c2)cc1
CCCCC(CCn1oc(=O)[nH]c1=O)c1cccc(Oc2cccc(C)c2)c1
CC(\C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)n1oc(=O)[nH]c1=O
C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2ccccc2-c2ccccc2)c1
Clc1ccc(COc2ccc(Cl)c(\C=C\Cn3oc(=O)[nH]c3=O)c2)cc1Cl
C\C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(COc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
FC(F)(F)c1cc(COc2ccc(CCC(c3ccccc3)n3oc(=O)[nH]c3=O)cc2)cc(c1)C(F)(F)F
CC(\C=C\c1ccc(OCc2cccc(c2)C(F)(F)F)cc1)n1oc(=O)[nH]c1=O
Clc1cccc(COc2ccc(CCC(c3ccccc3)n3oc(=O)[nH]c3=O)cc2)c1
FC(F)(F)c1ccc(COc2cc(OCc3ccc(cc3)C(F)(F)F)cc(\C=C\Cn3oc(=O)[nH]c3=O)c2)cc1
COc1cc(\C=C\Cn2oc(=O)[nH]c2=O)ccc1OCc1ccc(Cl)c(Cl)c1
C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1
NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N
CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Br)c2c1
CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(C3CCCCC3)c2c1 |t:25|
NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1
CN1CCc2ccc(cc2C1C1CCCCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
NC(=N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1
CC(C)C1=NCCc2ccc(cc12)[C@H]1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1
NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1
[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N
NC(=N)c1ccc2cc(cc(Br)c2c1)C(=O)Nc1ccccc1
NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(c3ccccc3)c2c1 |t:25|
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2cnccc12
FC(F)(CNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)C1CCCCN1
Clc1ccc(c(Cc2nc3c(NCCC4CCCCN4Cc4ccccc4)nccc3o2)c1)-n1cncn1
Clc1ccc(c(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1)-n1cncn1
FC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1
FC(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12
OCCN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1
CCOC(=O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12
C(CC1CCCCN1)Nc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12
FC(F)(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12
Clc1cccc(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1
OC(=O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)C1CCCCN1
Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO |w:10.11|
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3cc(F)ccc3F)cnc2c1)C(N)=N
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1c(-[#6])cccc1-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1ccc(-[#6])cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1ccccc1-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccc(-[#6])c1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
C[C@H](NC(=O)[C@@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccc(NC(N)=N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 |TLB:17:16:20:13.12.11,THB:18:16:13:20.19.11|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1ccc(cc1)C#N)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1)[#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1
C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl
C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
CCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
CC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
OC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
OC[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Nc1nc(nn1C(=O)c1cccc2ccccc12)-c1ccccn1
Nc1nc(nn1C(=O)c1ccc(NC(=O)c2ccccc2)cc1)-c1ccccn1
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3COC3)CC2)c2ccccc12
CC(C)N1CCCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
NC(N)Nc1ccc(CC(=O)c2ccccc2)cc1
COc1cc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)oc2cc1OC
COc1cc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)oc2cc1OC
Cc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r|
CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
NC(=N)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O
NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O
NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O
CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1
CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1
Cn1cc(NS(=O)(=O)Cc2ccccc2)c(=O)n(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCCN(C1O)C(N)=N
NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O
Cc1ncc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCCN(C1O)C(N)=N
NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
CN(C)C1CCN(C1)c1c(F)c(Oc2cc(N)cc(c2)-c2cccc(CN)c2)nc(Oc2cc(C)ccc2C(O)=O)c1F
Cc1ccc(C(O)=O)c(Oc2nc(Oc3cc(O)cc(c3)-c3cccc(CN)c3)c(F)cc2F)c1
Cc1ccc(C(O)=O)c(Oc2nc(Oc3cc(N)cc(c3)-c3cccc(CN)c3)c(F)cc2F)c1
Cc1ccc(C(O)=O)c(Oc2nc(Oc3cc(ccc3N)-c3cccc(CN)c3)c(F)cc2F)c1
COc1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1
Cc1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1
NCc1cccc(c1)-c1cccc(Oc2nc(Oc3ccccc3C(O)=O)c(F)cc2F)c1
CN(C)C1CCN(C1)c1c(F)c(Oc2cccc(c2)-c2cccc(CN)c2)nc(Oc2cc(ccc2C(O)=O)N(C)C)c1F
CN(C)CCN(C)c1c(F)c(Oc2cccc(c2)-c2cccc(CN)c2)nc(Oc2cc(ccc2C(O)=O)N(C)C)c1F
CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)c(N3CCNCC3)c2F)c1
CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)c(N3CCOCC3)c2F)c1
CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)c(N(C)C)c2F)c1
CNc1c(F)c(Oc2cccc(c2)-c2cccc(CN)c2)nc(Oc2cc(ccc2C(O)=O)N(C)C)c1F
CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1
CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(c3)C(N)=N)c(F)c(C)c2F)c1
Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
[#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7]
c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O
[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#8-])=O)-[#6](=O)-[#7]-[#6]-1-[#6](-[#6])-[#8]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-2-[#6](-[#8])-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6]-2=O)-[#6](-[#6])-[#6]
c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5
COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc1
COc1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc1
NC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F
COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc1OC
COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(OC)ccc3c2)cc1
COc1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(OC)ccc3c2)cc1
COc1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
COc1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F
COC(=O)c1cccc(c1)-c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1
COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F
COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC)c1
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N
Clc1ccc2OCC(=O)NCCC(=O)NC(C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1
Clc1ccc2OCC(=O)NCCCCC(=O)N[C@H](C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1
Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCCOc3ccccc3CNC(=O)Cn1c2=O
Clc1ccc2OCCOCCNC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O
Clc1ccc2OCCCCNC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O
Clc1cnc2N[C@@H](Cc3ccccc3)CNCCOCCOc3ccccc3CNC(=O)Cn1c2=O
Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCNCCc3ccccc3CNC(=O)Cn1c2=O
Clc1ccc2OCCCCCNC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O
CN1CCOc2ccccc2CNC(=O)Cn2c(Cl)cnc(N[C@@H](Cc3ccccc3)CNC(=O)C1)c2=O
[H][C@@]12CCCN1C(=O)[C@H](NC(=O)CNC(=O)COc1ccc(Cl)cc1CNC2=O)C1CCCCC1 |r|
Clc1ccc2OC\C=C\COC(=O)NC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O |t:7|
Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCNCc3ccccc3CNC(=O)Cn1c2=O
CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(N[C@@H](Cc3ccccc3)C1)c2=O
Clc1ccc2OCC(=O)NCCCC(=O)N[C@H](C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1
Clc1ccc2OC\C=C/COC(=O)NC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O |c:7|
CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O
CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O
OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)Cc1ccc(OCc2ccccc2)cc1
[#7]\[#6](-[#7])=[#7]\c1ccccc1
CN(C)C(=O)N1CCN(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(CC2)C=O)c1
NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
CC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
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|
CN1CCN(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
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)CC1 |wU:9.8,(18.93,-14,;17.97,-12.81,;16.65,-12.04,;17.27,-10.34,;16.88,-9.19,;15.48,-8.55,;15.31,-7.01,;13.92,-6.4,;12.67,-7.29,;13.76,-4.86,;14.9,-3.83,;14.28,-2.42,;12.75,-2.58,;12.43,-4.09,;11.02,-4.7,;10.86,-6.24,;9.79,-3.8,;9.76,-2.26,;8.44,-1.49,;7.09,-2.26,;5.78,-1.49,;5.78,.05,;7.09,.82,;8.44,.05,;11.1,-1.49,;12.43,-2.26,;13.76,-1.49,;13.76,.05,;12.42,.82,;11.08,.05,;18.2,-9.96,;17.56,-11.56,)|
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccn2)CC1 |wU:9.8,(6.95,-10.61,;5.99,-9.43,;5.61,-8.16,;6.25,-6.56,;4.9,-5.8,;3.53,-5.18,;3.37,-3.64,;1.96,-3.02,;.71,-3.93,;1.8,-1.5,;2.95,-.48,;2.31,.93,;.81,.77,;.49,-.74,;-.92,-1.34,;-1.08,-2.88,;-2.16,-.45,;-2.16,1.09,;-.85,1.85,;.49,1.09,;1.83,1.85,;1.83,3.39,;.49,4.16,;-.85,3.39,;-3.51,1.85,;-3.51,3.41,;-4.82,4.18,;-6.16,3.41,;-6.13,1.85,;-4.82,1.11,;5.32,-6.97,;4.68,-8.66,)|
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2cccnc2)CC1 |wU:9.8,(5.07,-10.18,;4.11,-8.99,;3.7,-7.74,;4.34,-6.14,;3.02,-5.37,;1.62,-4.73,;1.45,-3.19,;.06,-2.58,;-1.19,-3.48,;-.1,-1.04,;1.04,-.01,;.42,1.4,;-1.11,1.24,;-1.43,-.27,;-2.84,-.88,;-3.01,-2.42,;-4.07,.02,;-4.1,1.56,;-2.76,2.33,;-1.41,1.56,;-.09,2.33,;-.09,3.87,;-1.43,4.64,;-2.76,3.87,;-5.42,2.33,;-5.42,3.87,;-6.74,4.64,;-8.09,3.87,;-8.07,2.33,;-6.74,1.56,;3.41,-6.52,;2.79,-8.22,)|
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1 |wU:9.8,(15.67,-13.97,;14.71,-12.78,;14.32,-11.52,;14.96,-9.91,;13.61,-9.14,;12.23,-8.51,;12.07,-6.97,;10.66,-6.35,;9.41,-7.26,;10.5,-4.82,;11.66,-3.8,;11.02,-2.39,;9.51,-2.55,;9.19,-4.05,;7.77,-4.66,;7.61,-6.2,;6.52,-3.76,;6.52,-2.22,;7.84,-1.44,;9.19,-2.21,;10.5,-1.44,;10.5,.1,;9.15,.87,;7.84,.09,;5.18,-1.45,;5.18,.1,;3.83,.87,;2.51,.1,;2.51,-1.45,;3.83,-2.22,;14.03,-10.31,;13.39,-12.01,)|
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3C=Cc3ccccc23)CC1 |wU:9.8,c:26,(10.27,-10.54,;9.32,-9.36,;8.93,-8.11,;9.57,-6.52,;8.23,-5.75,;6.86,-5.12,;6.7,-3.58,;5.27,-2.98,;4.05,-3.87,;5.12,-1.45,;6.29,-.43,;5.65,.98,;4.15,.82,;3.83,-.68,;2.42,-1.29,;2.27,-2.82,;1.18,-.39,;1.18,1.14,;-.35,1.17,;-.93,-.27,;-2.46,-.49,;-3.41,.72,;-2.84,2.16,;-1.31,2.38,;-.96,3.88,;.45,4.52,;1.82,3.82,;2.94,4.87,;4.4,4.42,;4.75,2.92,;3.61,1.87,;2.14,2.32,;8.65,-6.9,;8.01,-8.59,)|
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2cccnc2)c2ccc3OCOc3c2)CC1 |wU:9.8,(3.95,-11.95,;2.99,-10.74,;1.67,-9.97,;2.29,-8.27,;1.9,-7.1,;.49,-6.47,;.33,-4.95,;-1.06,-4.31,;-2.31,-5.22,;-1.22,-2.77,;-.09,-1.75,;-.71,-.35,;-2.24,-.51,;-2.56,-2,;-3.97,-2.64,;-4.13,-4.16,;-5.21,-1.7,;-5.23,-.17,;-6.56,.6,;-6.56,2.15,;-7.87,2.92,;-9.22,2.15,;-9.21,.6,;-7.87,-.16,;-3.89,.6,;-2.54,-.17,;-1.21,.6,;-1.21,2.15,;-.06,3.2,;-.71,4.62,;-2.25,4.43,;-2.56,2.91,;-3.89,2.14,;3.22,-7.87,;2.58,-9.48,)|
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccncc2)CC1 |wU:9.8,(4.43,-12.54,;3.47,-11.35,;3.06,-10.09,;3.71,-8.48,;2.38,-7.71,;.97,-7.08,;.81,-5.54,;-.58,-4.92,;-1.83,-5.83,;-.74,-3.38,;.4,-2.36,;-.22,-.94,;-1.76,-1.1,;-2.08,-2.61,;-3.49,-3.22,;-3.65,-4.77,;-4.75,-2.32,;-4.75,-.78,;-3.41,-.01,;-2.06,-.78,;-.73,-.01,;-.73,1.53,;-2.08,2.3,;-3.41,1.53,;-6.07,-.01,;-6.07,1.54,;-7.39,2.31,;-8.74,1.54,;-8.73,-.01,;-7.39,-.77,;2.77,-8.88,;2.15,-10.58,)|
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)CC1 |wU:9.8,(16.05,-4.09,;16.82,-5.42,;16.81,-7.08,;17.34,-8.54,;16.12,-9.36,;16.57,-10.83,;15.52,-11.95,;14.02,-11.6,;12.97,-12.72,;13.56,-10.13,;14.5,-8.9,;13.63,-7.64,;12.11,-8.1,;12.12,-9.64,;10.86,-10.51,;10.97,-12.05,;9.46,-9.85,;8.2,-10.74,;6.87,-11.5,;6.09,-10.16,;7.64,-12.86,;5.51,-12.28,;4.18,-11.51,;4.18,-9.97,;2.85,-9.2,;1.52,-9.97,;1.52,-11.53,;2.85,-12.28,;9.33,-8.33,;7.93,-7.68,;7.8,-6.14,;6.4,-5.49,;5.14,-6.38,;5.28,-7.92,;6.68,-8.56,;10.59,-7.44,;9.81,-6.11,;10.59,-4.77,;12.13,-4.77,;12.89,-6.11,;12.13,-7.44,;16.29,-7.89,;15.73,-6.52,)|
NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1
NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12|
Cc1cc(CNC(=O)[C@@H]2C=CCN2C(=O)C(CC2CCCCC2)NCC(O)=O)sc1C(N)=N |c:9|
NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |c:12|
NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1 |c:12|
NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1 |c:12|
Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)C1(CN2CCCC2)CC1
c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O
c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O
Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)N1CCCCC1=O
NC(=N)c1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
NC(=N)c1ccc(cc1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)[#6]-c2ccccc2)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1 |w:9.9|
[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1
[#6]-[#6](=O)-[#7]-c1ccc(-[#8]P(=O)([#8]-c2ccc(-[#7]-[#6](-[#6])=O)cc2)[#6](-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)cc1
[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1 |w:19.19|
[#6]-[#6]-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1 |w:5.4|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2cccc3ccccc23)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1 |w:9.9|
[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1 |w:4.3|
[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]-[#6](=O)-c2ccccc2)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1 |w:9.9|
[#6]-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1)[#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1
[#6]-[#6](=O)-[#7]-c1ccc(-[#8]P(=O)([#8]-c2ccc(-[#7]-[#6](-[#6])=O)cc2)[#6](-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])-[#7]S([#6])(=O)=O)cc1
[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)cc1
NC(=N)c1ccc(CCC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
[#6]-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
CN(C1CCN(CC1)c1ccnc(C)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1
OCc1cn2c(cccc2n1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12 |r|
OCc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
Nc1nc(NCC(O)=O)c(Cl)nc1C(=N)NO
Nc1nc(NCC(O)=O)cnc1C(=N)NO
NC(=N)c1nc(Cl)c(NCC(=O)OCc2ccccc2)nc1N
NC(=O)c1nc(Cl)c(NCC(=O)OCc2ccccc2)nc1N
NC(=N)NC(=O)c1nc(Cl)c(NCC(=O)OCc2ccccc2)nc1N
NC(=N)NC(=O)c1nc(Cl)c(NCC(O)=O)nc1N
NC(=N)NC(=O)c1ncc(NCC(O)=O)nc1N
NC(=N)c1ncc(NCC(O)=O)nc1N
Nc1nc(NCC(=O)OCc2ccccc2)c(Cl)nc1C(=N)NO
NC(=N)c1nc(Cl)c(NCC(O)=O)nc1N
CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3|
CCN(CC)CC(=O)NS(=C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
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|
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|
NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1 |r|
C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1cccc(c1)C(N)=O |r|
COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc2nc(N)[nH]c2c1
COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc2nc(N)[nH]c2c1 |r|
COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc2c(N)nccc2c1
COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc2c(N)nccc2c1 |r|
COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N
COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N |r|
CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CO
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(25.62,-40.59,;26.39,-39.26,;27.93,-39.26,;28.7,-40.59,;30.24,-40.59,;31.01,-39.26,;30.24,-37.93,;28.7,-37.93,;32.55,-39.26,;33.32,-40.59,;33.32,-37.93,;34.86,-37.93,;35.63,-39.26,;37.17,-39.26,;37.94,-37.93,;39.48,-37.93,;40.25,-39.26,;39.48,-40.59,;37.94,-40.59,;35.63,-36.59,;35.01,-35.19,;36.14,-34.15,;37.48,-34.93,;38.89,-34.3,;37.16,-36.43,;35.98,-32.62,;37.23,-31.72,;37.07,-30.19,;35.66,-29.56,;35.19,-28.09,;36.09,-26.85,;33.65,-28.09,;33.17,-29.56,;34.42,-30.47,;34.58,-32,)|
COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O
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|
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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
c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN
COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN
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|
COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r|
COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r|
Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
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
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|