543 SMILES Strings for Tyrosine-protein kinase JAK3 [781-1124]

Compound Name
SMILES String
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(\C=C(\[N+]#[C-])C(N)=O)cc3)nc12 |w:17.17|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(\C=C(\[N+]#[C-])C(=O)N4CCC4)cc3)nc12 |w:17.17|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(\C=C(\[N+]#[C-])C(=O)N4CCOCC4)cc3)nc12 |w:17.17|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(\C=C4\SC(=O)NC4=O)cc3)nc12 |w:17.17|
CN(C)C(=O)C(=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1F)\[N+]#[C-] |w:7.6|
CN(C)C(=O)C(=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)s1)\[N+]#[C-] |w:7.6|
CCN1C(=O)S\C(=C\c2ccc(Nc3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)cc2)C1=O |w:8.7|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(\C=C(\[N+]#[C-])c4nccs4)cc3)nc12 |w:17.17|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(\C=C(\[N+]#[C-])C(=O)N4CCCCC4)cc3)nc12 |w:17.17|
CCNC(=O)C(=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)\[N+]#[C-] |w:7.6|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N4CCNCC4)cc3)nc12 |w:18.17|
CN(C)C(=O)C(=Cc1cccc(c1)-c1cnc2[nH]ccc2n1)C#N |w:6.6|
CN(C)C(=O)C(=Cc1cccc(Nc2cnc3[nH]ccc3n2)c1)C#N |w:6.6|
CN(C)C(=O)C(=Cc1cccc(Oc2cnc3[nH]ccc3n2)c1)C#N |w:6.6|
CN(C)C(=O)C(=Cc1ccc(Oc2cnc3[nH]ccc3n2)cc1)C#N |w:6.6|
CC(C)C(=O)c1c[nH]c2ncc(nc12)-c1cccc(C=C(C#N)C(=O)N(C)C)c1 |w:19.20|
CC(C)NC(=O)c1c[nH]c2ncc(nc12)-c1cccc(C=C(C#N)C(=O)N(C)C)c1 |w:20.21|
CC(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N(C)C)cc3)nc12 |w:18.17|
CC(C)NC(=O)c1c[nH]c2ncc(Oc3cccc(C=C(C#N)C(=O)N(C)C)c3)nc12 |w:19.18|
CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C#N |w:6.6|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(N)=O)cc3)nc12 |w:18.17|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N4CCC4)cc3)nc12 |w:18.17|
CN1CCN(CC1)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C#N |w:10.11|
CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1F)C#N |w:6.6|
CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1Cl)C#N |w:6.6|
CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c(F)c1)C#N |w:6.6|
CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cn1)C#N |w:6.6|
CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cc1)C#N |w:6.6|
CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)s1)C#N |w:6.6|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N4CCCCC4)cc3)nc12 |w:18.17|
CCNC(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C#N |w:6.6|
CCN1C(=O)SC(=Cc2ccc(Nc3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)cc2)C1=O |w:7.7|
CCOC(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C#N |w:6.6|
CC(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N4CCOCC4)cc3)nc12 |w:18.17|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)S(C)(=O)=O)cc3)nc12 |w:18.17|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)c4nccs4)cc3)nc12 |w:18.17|
CC(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N4CCNCC4)cc3)nc12 |w:18.17|
CN(C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C#N)c1ccccc1 |w:5.5|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)c4ccno4)cc3)nc12 |w:18.17|
CN(C)CCN1C(=O)SC(=Cc2ccc(Nc3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)cc2)C1=O |w:10.10|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C4SC(=O)N(CCN)C4=O)cc3)nc12 |w:18.17|
CN(C)C(=O)C(=Cc1ccc(cc1)-c1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1)C#N |w:6.6|
CN(C)C(=O)C(=Cc1cccc(c1)-c1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1)C#N |w:6.6|
CN(C)C(=O)C(=Cc1cccc(Oc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1)C#N |w:6.6|
CC(C)(C)C(=O)c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C(=CC2CC2)C#N)c1 |w:24.26|
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C4SC(=O)NC4=O)cc3)nc12 |w:18.17|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N
C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r|
NC(=O)\C=C\c1cccc(c1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CN(C)C(=O)\C=C\c1cccc(c1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CN(C)C(=O)\C=C\c1ccc(cc1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)|
CN([C@H]1CC[C@H](CS(=O)(=O)NC2CCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.28,1.54,;-4.94,.77,;-3.61,1.54,;-3.61,3.08,;-2.28,3.85,;-.94,3.08,;.39,3.85,;1.72,3.08,;.95,1.75,;2.49,1.75,;3.06,3.85,;4.39,3.08,;4.79,1.59,;6.28,1.99,;5.88,3.48,;-.94,1.54,;-2.28,.77,;-4.94,-.77,;-6.28,-1.54,;-6.28,-3.08,;-4.94,-3.85,;-3.61,-3.08,;-2.28,-3.85,;-.94,-3.08,;-.94,-1.54,;-3.61,-1.54,)|
CCc1ccc(Cl)cc1-n1nc(cc1C(N)=O)-c1ccnc(N)n1
CNS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(F)c1 |r|
CN([C@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(cn1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)Nc1nccs1 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NC1[C@H](O)Cc2ccccc12 |r|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(N)(=O)=O |r|
COc1nc(ccc1C#N)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccnc(Cl)n1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(F)cn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(Cl)cn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccnc(c1)C#N
CCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
Fc1cc(cc(F)c1N(CC#C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cnc(cn1)N1CCOCC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#C
C[C@@H](NC(=O)c1ccc(N(C)[C@@H]2CCN(C2)c2ncnc3[nH]ccc23)c(F)c1)c1ccccc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1c(F)cc(cc1F)C(=O)N[C@H](CO)c1ccccc1
COC[C@@H](NC(=O)c1cc(F)c(N(C)[C@@H]2CCN(C2)c2ncnc3[nH]ccc23)c(F)c1)c1ccccc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1CC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)CC#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(cc1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)CC(F)(F)F
C=CCN(C1CCCC1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
N#Cc1ccc(nc1)N(C1CC1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CCS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(nn1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(nn1)C(F)(F)F
CN(CCC#N)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)[N+]([O-])=O
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1nc(Cl)cc(C)c1C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cc(C)c(cn1)[N+]([O-])=O
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1nc(Cl)nc2ccccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncnc2ccccc12
N#Cc1ccc(NC2CCN(C2)c2ncnc3[nH]ccc23)nc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cnc(cn1)C#N
COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1nc(Cl)c(cc1F)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cccc(n1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C1NC(=CS1)C#N |c:21|
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(Br)cn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(cc1[N+]([O-])=O)C#N
[O-][N+](=O)c1cc(cnc1NC1CCN(C1)c1ncnc2[nH]ccc12)C#N
CCCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(cc1Br)C#N
CN([C@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1[N+]([O-])=O)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c2ccccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(Br)c1
C#CCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cncc(n1)-n1ccnc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccccn1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncccc1C#N
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc2nc[nH]c2n1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc2[nH]c(=O)[nH]c2n1
COC(=O)c1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)NC1CC1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)N[C@H](CO)c1ccccc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)N[C@@H](CO)c1ccccc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NC1C(O)Cc2ccccc12
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NCc1ccccc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)NCCO
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NC(CO)c1ccc(Cl)cc1
CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NC[C@H](O)c1ccccc1
CCS(=O)(=O)Nc1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
NC(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N
CN(C)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N
CN1CCN(CC1)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
COCCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CC)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCOC)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCO)CC3)cccc12 |r|
CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
COCCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CC)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCOC)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
COCCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C |r|
C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C |r|
CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
COC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
COC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
CCc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2C)n1 |r|
CCn1cc(Nc2ncc(C)c(n2)-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)c(OC)n1 |r|
CCOc1nn(CC)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
COC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](CC)N3CCN(C)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](CC)N3CCN(C)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](COC)N3CCN(C)CC3)cccc12 |r|
CN1CCN(CC1)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(nc3)N3CCCCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)c3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)S(=O)(=O)NC3CC3)n2n1)C1CC1
Fc1cc(ccc1OCc1ccccc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCC3)n2n1)C1CC1
Fc1cccc(CNC(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
CN(C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)c1ccccc1
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(OCc4cccnc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccccn4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCC4CCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OC4CCCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCc3cccnc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)Nc3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(Oc4ccccc4)cc3)n2n1)C1CC1
Cn1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)n1
Cc1noc(C)c1COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Cc1cc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)n(C)n1
Cc1n[nH]c(C)c1CCOc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Cc1cc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)no1
Fc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCc3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccccc4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCc4ccccc4C3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCOc3ccccc3)n2n1)C1CC1
Cc1cc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)nn1C
O=C(Nc1nc2cccc(-c3ccc(cc3)-c3cccnc3)n2n1)C1CC1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(NCc4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)C(=O)c3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCN(Cc4ccccc4)CC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)CCc4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)n2n1)C1CC1
FC(F)(F)c1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3ccccc3)n2n1)C1CC1
Fc1cccc(CCS(=O)(=O)Nc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
CCCCN(CCCN1CCOCC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC(=O)Nc1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
CN(CCc1ccccc1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC(F)(F)c1ccc(CCNC(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
O=C(Nc1nc2cccc(-c3ccc(OCCn4cccn4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ncon4)cc3)n2n1)C1CC1
Fc1cc(ccc1-c1cccc2nc(NC(=O)C3CC3)nn12)C(=O)NCCOc1ccccc1
O=C(Nc1nc2cccc(-c3ccc(NCc4ccccc4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cnn(Cc4ccccc4)c3)n2n1)C1CC1
O=C(CCOc1ccccc1)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(CCc1ccccc1)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Fc1cc(ccc1-c1cccc2nc(NC(=O)C3CC3)nn12)C(=O)NCCc1ccccc1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCCc3ccccc3)n2n1)C1CC1
Fc1cccc(NC(=O)COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)n2n1)C1CC1 |r|
O=C(Nc1nc2cccc(-c3ccc4n(Cc5ccccc5)ccc4c3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(cc4)-n4cccn4)cc3)n2n1)C1CC1
OC1(Cc2ccccc2)CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
CC(Oc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)c1ccccn1
NC(=O)c1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
CC1CN(CC(C)O1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
FC(F)(F)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
FC1(F)CCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(CNc4ccon4)cc3)n2n1)C1CC1
NC(=O)c1ccccc1NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC1(F)CN(C1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC(F)(F)C1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CC(C3)OCc3ccc(cc3)C#N)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CC(C3)C#N)n2n1)C1CC1
NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:9.9,27.29,(-7.78,2.63,;-6.29,2.23,;-5.21,3.32,;-5.6,4.81,;-4.51,5.9,;-3.03,5.5,;-1.94,6.59,;-2.63,4.01,;-3.72,2.92,;-3.32,1.43,;-4.22,.19,;-3.32,-1.06,;-1.85,-.58,;-1.85,.96,;-.52,1.73,;-.52,3.27,;.81,4.04,;2.15,3.27,;3.61,3.74,;4.52,2.5,;3.61,1.25,;4.01,-.24,;2.92,-1.33,;5.5,-.64,;5.9,-2.12,;7.38,-2.52,;7.78,-4.01,;6.69,-5.1,;7.09,-6.59,;5.21,-4.7,;4.81,-3.21,;2.15,1.73,;.81,.96,)|
CC(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
Fc1cncc(c1)C1CCCN1c1ccn2ncc(C(=O)NCC3CC3)c2n1
CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
CC1(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r|
C[C@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r|
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1
Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CC3)C(F)(F)F)c2n1 |r|
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:26.28,(-7.38,2.87,;-6.05,3.64,;-6.05,5.18,;-4.72,5.95,;-3.38,5.18,;-2.05,5.95,;-3.38,3.64,;-4.72,2.87,;-4.72,1.33,;-5.96,.42,;-5.49,-1.04,;-3.95,-1.04,;-3.47,.42,;-2.14,1.19,;-2.14,2.73,;-.8,3.5,;.53,2.73,;1.99,3.21,;2.9,1.96,;1.99,.72,;2.76,-.62,;1.99,-1.95,;4.3,-.62,;5.07,-1.95,;6.61,-1.95,;7.38,-3.28,;6.61,-4.62,;7.38,-5.95,;5.07,-4.62,;4.3,-3.28,;.53,1.19,;-.8,.42,)|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12 |r|
CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](COC)N3CCN(C)CC3)cccc12 |r|
CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)C(CC#N)C1CCCC1
CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)S(=O)(=O)CC
CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@@H](CC#N)C1CCCC1 |r|
CC(C)OC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|
CC(C)OC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@@H](CC#N)C1CCCC1 |r|
CCCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
C[C@@H](N1CCN(CCO)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CCS(=O)(=O)c1cccc(Nc2ncc(C)c(n2)-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)c1F |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(=O)(=O)C2CC2)ncc1C |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1Cl |r|
C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
C[C@@H](N1C[C@H](C)N[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@H](N1C[C@H](C)N[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@@H](N1C[C@H](C)N[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
C[C@H](N1C[C@H](C)N[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CC[C@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CC[C@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
C[C@@H](N1CCNCC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@H](N1CCNCC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CC[C@@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CC[C@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
C[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
C[C@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CC[C@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
CC[C@@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
COC[C@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
COC[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
C[C@@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
C[C@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CC[C@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CCOC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CN1CCN(CC1)[C@H](COCc1ccccc1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CN1CCN(CC1)[C@@H](COCc1ccccc1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CCC#N)CC[C@H]1C |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)C=C |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CC[C@H](O)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@@H]1CC[C@@H](O)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@@H]1CC[C@H](C1)OC(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CC[C@@H](C1)OC(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@@H](O)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@H](C1)OC(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CC[C@@H](C1)OC(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CC[C@H](O)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CC[C@H](CS(=O)(=O)NC)CC1 |r,wU:15.16,wD:18.20,(-8,-1.82,;-6.67,-1.05,;-5.33,-1.82,;-4,-1.05,;-4,.49,;-2.67,-1.82,;-2.67,-3.36,;-1.33,-4.13,;,-3.36,;1.46,-3.84,;2.37,-2.59,;1.46,-1.35,;,-1.82,;-1.33,-1.05,;-1.33,.49,;,1.26,;,2.8,;1.33,3.57,;2.67,2.8,;4,3.57,;5.33,2.8,;6.1,4.13,;4.56,1.46,;6.67,2.03,;8,2.8,;2.67,1.26,;1.33,.49,)|
CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CC[C@H](CS(=O)(=O)NC)CC1 |r,wU:16.17,wD:19.21,(-6.67,.49,;-5.33,1.26,;-4,.49,;-4,-1.05,;-5.33,-1.82,;-2.67,-1.82,;-2.67,-3.36,;-1.33,-4.13,;,-3.36,;1.46,-3.84,;2.37,-2.59,;1.46,-1.35,;,-1.82,;-1.33,-1.05,;-1.33,.49,;-2.67,1.26,;,1.26,;,2.8,;1.33,3.57,;2.67,2.8,;4,3.57,;5.33,2.8,;6.1,4.13,;4.56,1.46,;6.67,2.03,;6.67,.49,;2.67,1.26,;1.33,.49,)|
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCC(C1)OCCC#N
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
COC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1Nc1c(cnc2[nH]ccc12)C(=O)OC(C)(C)C)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1Nc1c(cnc2[nH]ccc12)C(O)=O)C(=O)CC#N |r|
OC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(CCC#N)C1 |r|
CC(C)OC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
CCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)C1(CC1)C#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CN(CC[C@H]1C)C(=O)C(C)C#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)C1(CC1)C#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)C(C)C#N |r|
CCCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCCC(CCC#N)C1
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@@H](CCC#N)C1 |r|
CCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@@H](CCC#N)C1 |r|
CCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCCC(O)C1
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCC(O)C(CC#N)C1
CCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCCN(C1)C(=O)CC#N |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)C(C)(C)C#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)C(=O)OCC1CC1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@H](C)N(C1)C(=O)CC#N |r|
OC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@@H](CCC#N)C1 |r|
COCCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@H](CCC#N)C1 |r|
COC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](CCC#N)C1 |r|
COC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@H](CCC#N)C1 |r|
CCOC(=O)c1cnc2[nH]ccc2c1NC1CCC(CCC#N)C1
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)[C@@H]1CC1(F)F |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1cscn1 |r|
FC(F)n1ccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1ncc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1nccs1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
Cc1noc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1nnco1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1nncs1 |r|
C[C@@H]1C[C@@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1nnc[nH]1 |r|
O[C@H]1CC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ccccn1 |r|
O[C@H]1CC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
NC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1ccnc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1cncs1 |r|
Cn1ccnc1-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ccn[nH]1 |r|
Cc1nc(no1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1cccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ccccn1 |r|
Cc1ccc(nc1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncccn1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ccncn1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)C#N |r|
Cc1cc([nH]n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
N#CCCN1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
C[C@H]1CC[C@H](CN1C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ncco1 |r|
NC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@H]1CC[C@@H](O)C1 |r|
CNC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CC[C@H](C)N(C1)C(=O)CC#N |r|
CNC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1C[C@H](C)CN(C1)C(=O)CC#N |r|
CNC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@H]1C[C@@H](C)CN(C1)C(=O)CC#N |r|
CNC(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CN(C)C(=O)c1coc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CNC(=O)c1csc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(CCC#N)C1 |r|
O=C(CC#N)N1CCC[C@H](C1)Nc1c(cnc2[nH]ccc12)-c1ncon1 |r|
CNC(=O)c1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ccn(n1)C(F)F |r|
O=C(CC#N)N1CCCC(C1)Nc1c(cnc2[nH]ccc12)-c1ccsn1
CCOC(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
COc1nccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Nc1cccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(CCC#N)C1 |r|
CS(=O)(=O)c1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CSc1nccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CN(C1CCN(C1)c1nccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N)C(=O)CC#N |r|
Nc1nccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ccnc(C)n1 |r|
CNC(=O)c1cnc(s1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CN(C)S(=O)(=O)Nc1ccnc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)(=O)Nc1ccnc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@@H]1C[C@@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ccncn1 |r|
CNCCOc1cccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
Cc1ccnc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
CNC(=O)c1ccnc(c1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
OCCn1ccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
OCc1cccc(n1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1cccc(CO)n1 |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1ncc(s1)S(C)(=O)=O |r|
CC(=O)c1cnc(o1)-c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C1)C(=O)CC#N |r|
C[C@H]1C[C@H](CN(CC2CC2(F)F)C1)Nc1c(cnc2[nH]ccc12)-c1nccs1 |r|
C[C@H]1C[C@H](CN(C1)C(=O)CC#N)Nc1c(cnc2[nH]ccc12)-c1nncs1 |r|
CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
O=C(CC#N)N1CCC11CCCN(C1)c1ncnc2[nH]ccc12
FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12
FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
CC1CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12
O=C(CC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
CN(CCC#N)C(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
CC1CC2(CCCN(C2)c2ncnc3[nH]ccc23)N1C(=O)CC#N
CC1CN(CC2(CCN2C(=O)CC#N)C1)c1ncnc2[nH]ccc12
O=C(CC#N)N1CCC11CCN(C1)c1ncnc2[nH]ccc12
CC1CCC2(CCN2C(=O)CC#N)CN1c1ncnc2[nH]ccc12
CC1N(CCC11CCN1C(=O)CC#N)c1ncnc2[nH]ccc12
CC1(C)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
C=CCOCCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
CC(O)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
FC1(F)CCN(CC11CCCN1C(=O)CC#N)c1ncnc2[nH]ccc12
FC1(F)CN(CC11CCCN1C(=O)CC#N)c1ncnc2[nH]ccc12
CC1CC2(CCCN2C(=O)CC#N)CN1c1ncnc2[nH]ccc12
CC1N(CCC11CCCN1C(=O)CC#N)c1ncnc2[nH]ccc12
CC1(C)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12
COCCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
CC1CCN(C(=O)CC#N)C11CN(CC1(F)F)c1ncnc2[nH]ccc12
CC1(C)CCN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12
C[C@H](O)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 |r|
OCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
CO[C@@H](C)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 |r|
CO[C@H](C)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 |r|
C[C@H](OC(C)=O)C(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 |r|
COCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
CCNC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
CC(=O)OCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
O=C(NCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
N#CCCN1CCCC11CCN(C1)c1ncnc2[nH]ccc12
CC1CCN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12
FC1(F)CCN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12
FC1(F)CCN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
O=C(CC#N)N1CCC11CCCCN(C1)c1ncnc2[nH]ccc12
O=C(NCCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
CC1CCN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
COC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
O=C(NCC#N)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
CN(CC#N)C(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
O=C(N1CCCC11CCN(C1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N
O=C(N1CCCC11CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N
O=C(NCCC#N)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
CCCNC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
COC(=O)CCC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
[O-][N+](=O)c1ccc(OC(=O)N2CCCC22CCN(C2)c2ncnc3[nH]ccc23)cc1
OCC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
O=C(N1CCCC11CCN(C1)c1ncnc2[nH]ccc12)C1(CC1)C#N
O=C(CC#N)N1CCCCCC11CCCN(C1)c1ncnc2[nH]ccc12
CC(C)(C)OC(=O)N1CCCCCC11CCCN(C1)c1ncnc2[nH]ccc12
O=C(CC#N)N1CCCCC11CCN(C1)c1ncnc2[nH]ccc12
CC(=O)N1CCCCC11CCN(C1)c1ncnc2[nH]ccc12
CC(C)(C)OC(=O)N1CCCCC11CCN(C1)c1ncnc2[nH]ccc12
CC(=O)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12
O=C(CC#N)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12
CC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
CC(C)C(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
CCC(=O)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
O=C(CC#N)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12
C1CNC2(C1)CCN(C2)c1ncnc2[nH]ccc12
C(N1CCCC11CCN(C1)c1ncnc2[nH]ccc12)c1ccccc1
Clc1cnc2[nH]ncc2c1N1CCC2(CCCN2C(=O)CC#N)C1
Clc1cnc2[nH]ncc2c1N1CCC2(C1)CCCCN2C(=O)CC#N
O=C(CC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]cnc12
O=C(CC#N)N1CCCCC11CCN(C1)c1ncnc2[nH]cnc12