5168 SMILES Strings for Metabotropic glutamate receptor 5

Compound Name
SMILES String
c1ccnc(c1)C(=O)Nc2cccc(c2)Cl
[H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|
C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N
N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
N[C@H](C(O)=O)c1cc(O)cc(O)c1
N[C@H](C(O)=O)c1cccc(O)c1
NC(C(O)=O)c1ccc(C(O)=O)c(O)c1
NC(C(O)=O)c1ccc(cc1)C(O)=O
C(CC(=O)O)[C@@H](C(=O)O)N
NC(C(O)=O)c1cc(=O)[nH]o1
C([C@H](C(=O)O)N)P(=O)(O)O
C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N
N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
OC(=O)[C@H]1C[C@@H](N1)C(O)=O
Cc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
N[C@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
CCCCc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
C(C[C@H](C(=O)O)N)CC(=O)O
N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Cc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
N[C@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
N[C@@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Cc1cc(ccc1C(O)=O)C(N)C(O)=O
NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
Cc1o[nH]c(=O)c1CC(N)C(O)=O
NC(C(O)=O)c1cc(O)ccc1Cl
N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
c1nc2c(n1COC(CO)CO)N=C(NC2=O)N
C(CP(=O)(O)O)[C@@H](C(=O)O)N
N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
NC(CCC([O-])=O)C([O-])=O
[O-][N+](=O)c1cc2[nH]c(=O)n3[nH]c(=O)nc3c2cc1-n1ccnc1
C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Cc1cccc(n1)C#Cc1ccccc1
C([C@H](C(=O)O)N)S(=O)(=O)O
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
C(CC(=O)O)[C@H](C(=O)O)N
Cc1nc(cs1)C#Cc1cccnc1
C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
Cc1cccc(C=Cc2ccccc2)n1 |w:6.5|
Clc1cccc(c1)C(=O)Nc1ccnc(Oc2cccnc2)c1
Clc1cccc(c1)C(=O)Nc1cccc(Oc2cccnc2)n1
Clc1cccc(c1)C(=O)Nc1cc(Oc2cccnc2)ncn1
Clc1cccc(c1)C(=O)Nc1cc(Oc2cccnc2)ccn1
Clc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)n1
Clc1cccc(c1)C(=O)Nc1nccc(Oc2cccnc2)n1
Clc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)c1
FC(F)(F)c1ccc(Oc2ccnc(NC(=O)c3cccc(Cl)c3)c2)cn1
Cc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)n1
O=C(Nc1cncc(Oc2cccnc2)n1)c1cccc(c1)C#N
Cc1cccc(n1)C(=O)Nc1cncc(Oc2cccnc2)n1
Cc1ccc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)cn1
Cc1cccc(c1)C(=O)Nc1cncc(Oc2ccc(C)nc2)n1
Cc1ccc(Oc2cncc(NC(=O)c3cccc(c3)C#N)n2)cn1
Cc1ccc(Oc2cncc(NC(=O)c3cccc(C)n3)n2)cn1
Clc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Cc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
O=C(Nc1cncc(Oc2cncnc2)n1)c1cccc(c1)C#N
Cc1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)n1
Clc1cccc(c1)C(=O)Nc1cccc(Oc2cncnc2)n1
Cc1cccc(c1)C(=O)Nc1cccc(Oc2cncnc2)n1
O=C(Nc1cccc(Oc2cncnc2)n1)c1cccc(c1)C#N
Cc1cccc(n1)C(=O)Nc1cccc(Oc2cncnc2)n1
FC(F)(F)c1ccc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)cn1
Cc1cccc(c1)C(=O)Nc1cncc(Oc2ccc(nc2)C(F)(F)F)n1
FC(F)(F)c1ccc(Oc2cncc(NC(=O)c3cccc(c3)C#N)n2)cn1
Cc1cccc(n1)C(=O)Nc1cncc(Oc2ccc(nc2)C(F)(F)F)n1
Cc1cccc(c1)C(=O)Nc1cccc(Oc2cccnc2)n1
O=C(Nc1cccc(Oc2cccnc2)n1)c1cccc(c1)C#N
Cc1cccc(n1)C(=O)Nc1cccc(Oc2cccnc2)n1
Cc1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)n2)cn1
Cc1cccc(c1)C(=O)Nc1cccc(Oc2ccc(C)nc2)n1
Cc1ccc(Oc2cccc(NC(=O)c3cccc(C)n3)n2)cn1
FC(F)(F)c1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)n2)cn1
Cc1cccc(c1)C(=O)Nc1cccc(Oc2ccc(nc2)C(F)(F)F)n1
FC(F)(F)c1ccc(Oc2cccc(NC(=O)c3cccc(c3)C#N)n2)cn1
Cc1cccc(n1)C(=O)Nc1cccc(Oc2ccc(nc2)C(F)(F)F)n1
Cc1ccc(Oc2cccc(NC(=O)c3cccc(c3)C#N)n2)cn1
O=C(Nc1ccnc(Oc2cccnc2)c1)c1cccc(c1)C#N
Clc1cccc(c1)C(=O)Nc1ccnc(Oc2cncnc2)c1
O=C(Nc1ccnc(Oc2cncnc2)c1)c1cccc(c1)C#N
Brc1cccc(c1)C(=O)Nc1ccnc(Oc2cccnc2)c1
Brc1cccc(c1)C(=O)Nc1ccnc(Oc2cncnc2)c1
Brc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)c1
O=C(Nc1cncc(Oc2cccnc2)c1)c1cccc(c1)C#N
Clc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
O=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(c1)C#N
Fc1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)c1
Fc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
Fc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
Fc1ccc(Cl)cc1C(=O)Nc1cncc(Oc2cncnc2)c1
Brc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
Fc1ccc(cc1C(=O)Nc1cncc(Oc2cncnc2)c1)C#N
O=C(Nc1cncc(Oc2cncnc2)c1)c1ccccn1
Clc1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)c1
FC(F)(F)c1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)c1
Fc1ccc(nc1)C(=O)Nc1cncc(Oc2cncnc2)c1
Clc1cncc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
O=C(Nc1cncc(Oc2cncnc2)c1)c1cncc(c1)C#N
O=C(Nc1cncc(Oc2cncnc2)c1)c1cscn1
FC(F)(F)c1nc(cs1)C(=O)Nc1cncc(Oc2cncnc2)c1
O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(cs1)C#N
COc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
Fc1ccc(F)c(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
O=C(Nc1cc(Oc2cccnc2)ccn1)c1cccc(c1)C#N
Clc1cccc(c1)C(=O)Nc1cc(Oc2cncnc2)ccn1
O=C(Nc1cc(Oc2cncnc2)ccn1)c1cccc(c1)C#N
Brc1cccc(c1)C(=O)Nc1cc(Oc2cncnc2)ccn1
CN(c1cncnc1)c1ccnc(NC(=O)c2cccc(c2)C#N)c1
CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Br)c2)c1
CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Cl)c2)c1
CN(c1cncnc1)c1ccnc(NC(=O)c2cccc(Br)c2)c1
CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1
CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(c2)C#N)c1
CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Br)c2)c1
CN(c1cccnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
CN(c1cccnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1
CCN(c1cccnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1
CN(c1cncnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1
CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1
CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1
CN(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccn1
Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
Brc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
O=C(Nc1ccccc1)c1cc(Oc2cccnc2)ccn1
Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
FC(F)(F)c1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Fc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)cc1F
Cn1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Fc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Cc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Fc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)nc1
Cc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Clc1cc(Cl)cc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Clc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)cc1Cl
O=C(Nc1nccs1)c1cc(Oc2cccnc2)ccn1
Cc1cnc(NC(=O)c2cc(Oc3cccnc3)ccn2)s1
Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Clc1cc(NC(=O)c2cc(Oc3cccnc3)ccn2)ccn1
O=C(Nc1ccccn1)c1cc(Oc2cccnc2)ccn1
CCc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Cc1nc(NC(=O)c2cc(Oc3cccnc3)ccn2)nn1C
Cc1cc(NC(=O)c2cc(Oc3cccnc3)ccn2)ccn1
Cn1cnc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
COc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
O=C(Nc1ccncn1)c1cc(Oc2cccnc2)ccn1
Cc1nsc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Cc1nc(NC(=O)c2cncc(Oc3cccnc3)c2)sc1F
FC(F)(F)c1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
O=C(Nc1ccccn1)c1cncc(Oc2cccnc2)c1
Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
O=C(Nc1nc(cs1)C#N)c1cc(Oc2cccnc2)ccn1
Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
FC(F)(F)c1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
O=C(Nc1nccs1)c1cc(Oc2cncnc2)ccn1
CN(c1cccnc1)c1ccnc(c1)C(=O)Nc1nccs1
CN(c1cccnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1
CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1
CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ncccc1F
CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ccc(F)cn1
O=C(NC1CCC1)c1cc(Oc2cccnc2)ccn1
O=C(NC1CCCC1)c1cc(Oc2cccnc2)ccn1
O=C(NC1CCCCC1)c1cc(Oc2cccnc2)ccn1
O=C(NC1CCCCCC1)c1cc(Oc2cccnc2)ccn1
O=C(NC1CCOCC1)c1cc(Oc2cccnc2)ccn1
CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ccccn1
CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1
CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(Cl)n1
O[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2cccnc2)ccn1 |r,wU:4.7,wD:1.0,(5.33,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;,4.23,;,2.69,;-1.33,1.93,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,)|
O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1
Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Fc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1
Fc1cccnc1NC(=O)c1cc(Oc2cncnc2)ccn1
Fc1cnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c(F)c1
Clc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Clc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1
O=C(NC1CCCCCC1)c1cc(Oc2cncnc2)ccn1
O=C(NC1CCOCC1)c1cc(Oc2cncnc2)ccn1
FCc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Fc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Cc1cc(NC(=O)c2cc(Oc3cncnc3)ccn2)ncc1F
Fc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1F
CCc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Clc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Cc1cncc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
COc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Cc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
FC(F)(F)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C
O=C(Nc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1
FC(F)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
NC(=O)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1Br
Brc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
FCc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
FC(F)c1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
COc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
FC(F)(F)c1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cc(F)cc(c1)C#N
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1F
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(F)c1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C#N
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C
COc1ccc(F)cc1-c1ccc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1Cl
COc1ccccc1-c1ccc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(F)ccc1C
Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1C
CSc1ccccc1-c1ncc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1Cl
Cc1nc(cs1)C#Cc1cnc(nc1)-c1cccc(C)c1C
Cc1nc(cs1)C#Cc1ccc(nc1)-n1ccc2cccnc12
Cc1nc(cs1)C#Cc1ccc(nc1)-n1ccc2ccncc12
Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCCCC1
CC1CCCN1c1ccc(c[nH+]1)C#Cc1csc(C)n1
CC1CCCN1c1ncc(cn1)C#Cc1csc(C)n1
Cc1[nH+]c(cs1)C#Cc1cnc(NC(C)(C)C)nc1
CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1cnc(nc1)N1CCCCC1
CC(C)Oc1ncc(cn1)C#Cc1csc(C)n1
CC(C)Oc1ccc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc(OC(C)(C)C)nc1
Cc1nc(cs1)C#Cc1ccc(SC(C)(C)C)nc1
Cc1nc(cs1)C#Cc1cnc(SC(C)(C)C)nc1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)C1CCCCC1
Cc1nc(cs1)C#Cc1ccc(nc1)C(C)(C)C
Cc1nc(cs1)C#Cc1cnc(nc1)C1CCCCC1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)cc1F
Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(C)cc(c1)C#N
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc2ncccc12
Cc1nc(cs1)C#Cc1ccc(nc1)-c1c(C)cccc1C
COc1ccc(cc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1)C#N
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cc(C)ccc1C
Cc1nc(cs1)C#Cc1ccc([nH+]c1)-n1ccc2ccccc12
Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCSCC1
Cc1[nH+]c(cs1)C#Cc1cncc(Nc2cccnc2)c1
Cc1nc(cs1)C#Cc1ccc(NC2CCC2)[nH+]c1
Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1ccccc1CO
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)c(F)c1
Cc1[nH+]c(cs1)C#Cc1ccc([nH+]c1)-c1ccc(F)cc1
COc1ccc(C)cc1-c1ccc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(ccc1F)C#N
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)c(C)c1
CN(c1ccccn1)c1ccc(cn1)C#Cc1csc(C)[nH+]1
COc1cccc(-c2ccc(cn2)C#Cc2csc(C)n2)c1F
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(C)c1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1C2CCC1CC2
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cc(C)ccc1F
CCc1ccccc1-c1ccc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(CO)c1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCCCCC1
CC1CCC(C)N1c1ccc(cn1)C#Cc1csc(C)[nH+]1
CCC(C)(C)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cccc(Cl)c1C
Cc1[nH+]c(cs1)C#Cc1ccc(nc1)N1CCCC(F)C1
CC[C@H](C)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1 |r|
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(C)c1C
CSc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
Cc1[nH+]c(cs1)C#Cc1c[nH+]cc(c1)-c1ccc(CO)cc1
CCC(CC)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1cncc(CCc2ccccc2)c1
CC[C@@H](C)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1 |r|
Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCCC1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cccc(c1)C#N
COCc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc(NC(C)(C)C)[nH+]c1
Cc1nc(cs1)C#Cc1ccc([nH+]c1)C1CC2CCC1C2 |THB:11:14:17.18:20|
Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CC2CCC1C2 |THB:11:14:17.18:20|
Cc1nc(cs1)C#Cc1ccc(nc1)C1CCCC1
Cc1[nH+]c(cs1)C#Cc1c[nH+]cc(c1)C1CC1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(c1)C(F)(F)F
Cc1nc(cs1)C#Cc1cncc(C=C)c1
Cc1[nH+]c(cs1)C#Cc1ccc(Oc2ccccc2)nc1
Cc1nc(cs1)C#Cc1cncc(C)c1
CC1CCN(CC1)c1ccc(cn1)C#Cc1csc(C)n1
CN(c1cccnc1)c1cncc(c1)C#Cc1csc(C)[nH+]1
CCC(C)Sc1ccc(cn1)C#Cc1csc(C)[nH+]1
Cc1nc(cs1)C#Cc1c[nH+]cc(c1)-c1ccccc1CO
Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(c1)C#N
CCCN(C)c1ccc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc(nc1)N1CCC(F)CC1
CCOc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1cncc(Cl)c1
Cc1[nH+]c(cs1)C#Cc1cncc(Oc2cccnc2)c1
Cc1nc(cs1)C#Cc1cnc(nc1)N1CCCC(CO)C1
Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CCCCCC1
CCC(C)Nc1ncc(cn1)C#Cc1csc(C)[nH+]1
C[C@H](Oc1ncc(cn1)C#Cc1csc(C)[nH+]1)c1ccccc1 |r|
CC1CCCCN1c1ncc(cn1)C#Cc1csc(C)[nH+]1
Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CCCC1
CCN(CC)c1ncc(cn1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1cnc(nc1)-[n+]1ccc2cc[nH]cc12
Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CCSCC1
Cc1nc(cs1)C#Cc1cnc(OC2CCN(CC2)C(=O)OC(C)(C)C)nc1
Cc1[nH+]c(cs1)C#Cc1cnc(NC2CCCC2)nc1
CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)[nH+]1
Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CC=CC1 |c:18|
Cc1[nH+]c(cs1)C#Cc1cnc(nc1)-c1ccccc1F
Cc1nc(cs1)C#Cc1cnc(nc1)N1CCCCC1CO
Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cc(Cl)ccn1
Fc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
Fc1ccnc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1
Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
Fc1ccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)nc1
Clc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cccc(Cl)n1
COc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
CN(c1cncnc1)c1cc(F)cc(c1)C(=O)Nc1nc(C)cs1
CN(c1cncnc1)c1cc(Cl)cc(c1)C(=O)Nc1cccc(F)n1
CN(c1cncnc1)c1cc(ccc1F)C(=O)Nc1cccc(Cl)n1
Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cc(ccn1)C(F)(F)F
Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1nc(cs1)C(F)(F)F
Cc1ccnc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Cc1nc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1Br
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
Clc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
FC(F)(F)c1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:11,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:9,t:7|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(Cl)cccc3C2=C1 |c:26,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccc(C)o1 |c:9,t:7|
COc1cccc(n1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
CCc1cc(ccn1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccn(C)n1 |c:9,t:7|
COCCOc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:30,t:12|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)c(Cl)ccc3C2=C1 |c:28,t:9|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cc(Cl)cc3C2=C1 |c:28,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(c1)C(F)(F)F |c:9,t:7|
COc1ccc(cc1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
COc1ccc(C)c(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:28,t:10|
Fc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(Br)cccc3C2=C1 |c:26,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccnc(c1)N(C)C |c:9,t:7|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:25,t:9|
Cc1ccc(o1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
Cn1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:29,t:9|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:27,t:7|
O=C1CN=C(C=C2N1CCc1c2cccc1-c1ccncc1)c1ccco1 |c:3,5|
Brc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
Ic1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccoc1 |c:8,t:6|
CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
Cn1cnc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cnc2N(C)CCOc2c1 |c:9,t:7|
O=C1CN=C(C=C2N1CCc1c(cccc21)C#C)c1cccs1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)C#N)c1cccs1 |c:3,5|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C#N |c:23,t:7|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:25,t:9|
CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3-n3cccn3)C2=C1 |c:31,t:9|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(CN(C)C)cccc3C2=C1 |c:29,t:9|
COCCOCc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(OC)c1 |c:13,t:11|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(CO)cccc3C2=C1 |c:25,t:7|
Cn1cc(cn1)C1=NCC(=O)N2CCc3c(CO)cccc3C2=C1 |c:25,t:7|
COC(C)c1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccn(C)n1 |w:2.1,c:11,t:9|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=O |c:25,t:9|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccc3)C2=C1 |c:32,t:9|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccn3)C2=C1 |c:32,t:9|
O=C1CN=C(C=C2N1CCc1c2cccc1-c1ccncc1)c1ccoc1 |c:3,5|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1 |c:32,t:9|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:33,t:9|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3F)C2=C1 |c:33,t:9|
Cn1cnc(c1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3)C2=C1 |c:30,t:7|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |w:24.28,c:25,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C(C)C |c:9,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(Cl)cccc3C2=C1 |c:24,t:7|
FC(F)(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:27,t:10|
Ic1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C#N |c:8,t:6|
OCc1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
COC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:27,t:10|
Cc1cn(c(C)n1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
CCOC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:28,t:11|
O=C1CN=C(C=C2N1CCc1c2cccc1-n1cccn1)n1cnc(c1)C1CCC1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)N1CCOCC1)n1cnc(c1)C1CCC1 |c:3,5|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncc[nH]1 |c:25,t:9|
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cnn(C)c1 |c:25,t:9|
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccn1C |c:25,t:9|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncco1 |c:24,t:8|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ccco1 |c:24,t:8|
COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1 |c:26,t:10|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncc(C)s1 |c:25,t:9|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cncnc3)C2=C1 |c:30,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cccnc3)C2=C1 |c:30,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3)C2=C1 |c:30,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:31,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cncs1 |c:23,t:7|
Fc1cncc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(Cl)c1 |c:15,t:13|
COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:34,t:10|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(C=C)cccc3C2=C1 |c:27,t:9|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1 |c:32,t:8|
Cc1coc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1 |c:10,t:8|
Fc1nccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
Fc1cccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cncs1)n1cnc(c1)C1CC1 |c:3,5|
Cc1ncc(s1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
O=C1CN=C(C=C2N1CCc1c2cccc1-c1cnccn1)n1cnc(c1)C1CC1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1nccs1)n1cnc(n1)C1CC1 |c:3,5|
COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccs1 |c:26,t:10|
CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nc(C)cs1 |c:26,t:10|
CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccs1 |c:26,t:10|
Fc1ccncc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
CCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C(C)C |c:9,t:7|
CCCc1cccc2C3=CC(NCC(=O)N3CCc12)n1cnc(C)c1 |t:8|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:25,t:9|
COCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C2=C1)-c1ccc(F)nc1 |c:25,t:9|
Cc1ccc(cn1)-c1ccnc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ccc(cn1)-c1ccnc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9|
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:15,t:13|
Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cnc(C)o1 |c:23,t:7|
COc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cc[nH]n1)n1cnc(c1)C1CC1 |c:3,5|
Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1cc(ccn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CCC1 |c:15,t:13|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |c:26,t:9|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |r,c:27,t:10|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cc(F)cc3C2=C1)C1CC1 |c:26,t:9|
FC(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
FCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |r,c:31,t:10|
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3ccc(F)nc3)C2=C1 |c:32,t:7|
COCc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9|
Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cccnc1F)n1cnc(n1)C1CC1 |c:7,t:5,(-4.6,-3.28,;-3.26,-2.51,;-3.26,-.97,;-1.93,-.2,;-.59,-.97,;.74,-.2,;.51,1.32,;1.56,2.45,;3.09,2.33,;3.96,1.06,;3.51,-.41,;4.6,-1.5,;2.07,-.97,;2.07,-2.51,;.74,-3.28,;-.59,-2.51,;-1.93,-3.28,;-1.93,-4.82,;-3.26,-5.59,;-3.26,-7.13,;-1.93,-7.9,;-.59,-7.13,;-.59,-5.59,;.74,-4.82,;.79,3.78,;1.69,5.03,;.79,6.27,;-.68,5.8,;-.68,4.26,;-2.01,6.57,;-2.78,7.9,;-3.55,6.57,)|
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1 |c:32,t:7,(-2.01,7.24,;-.68,6.47,;.79,6.94,;1.69,5.7,;.79,4.45,;-.68,4.93,;1.56,3.12,;3.09,3,;3.96,1.73,;3.51,.26,;4.6,-.83,;2.07,-.31,;2.07,-1.85,;.74,-2.62,;-.59,-1.85,;-.59,-.31,;-1.93,.46,;-3.26,-.31,;-3.26,-1.85,;-4.6,-2.62,;-1.93,-2.62,;-1.93,-4.16,;-3.26,-4.93,;-3.26,-6.47,;-1.93,-7.24,;-.59,-6.47,;-.59,-4.93,;.74,-4.16,;.74,.46,;.51,1.99,)|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1 |c:32,t:7,(-2.01,7.24,;-.68,6.47,;-.68,4.93,;.79,4.45,;1.69,5.7,;.79,6.94,;1.56,3.12,;3.09,3,;3.96,1.73,;3.51,.26,;4.6,-.83,;2.07,-.31,;2.07,-1.85,;.74,-2.62,;-.59,-1.85,;-.59,-.31,;-1.93,.46,;-3.26,-.31,;-3.26,-1.85,;-4.6,-2.62,;-1.93,-2.62,;-1.93,-4.16,;-3.26,-4.93,;-3.26,-6.47,;-1.93,-7.24,;-.59,-6.47,;-.59,-4.93,;.74,-4.16,;.74,.46,;.51,1.99,)|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ccno1)n1cnc(c1)C1CC1 |c:3,5|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1 |c:25,t:9|
CCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:32,t:8|
Cc1cc(sn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ncco1)n1cnc(c1)C1CC1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cscn1)n1cnc(c1)C#C |c:3,5|
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1 |c:15,t:13|
COC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:36,t:12|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1 |c:30,t:7|
OC1(COC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:36,t:12|
Cc1cc(on1)-c1cccc2C3=C(C)C(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:12,15|
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:14,t:12|
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CCC1 |c:14,t:12|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1coc(C)n1 |c:23,t:7|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cocn1)n1cnc(c1)C1CC1 |c:3,5|
Fc1ccc(cn1)-c1nccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(c1)C1CC1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(n1)C1CC1 |c:3,5|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |c:24,t:8|
CC(C)(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |c:26,t:10|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)CCC3)C2=C1 |c:30,t:8|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1 |c:30,t:8|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)O |c:24,t:8|
CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(C)c1 |c:10,t:8|
CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:10,t:8|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |r,c:26,t:10|
CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |r,c:26,t:10|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1=CCCC1 |c:25,t:9,28|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |c:25,t:9|
CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10|
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1cnco1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccno1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1 |c:3,5|
COc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
FC(F)(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:26,t:10|
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccncc1 |c:3,5|
CCC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:11,t:9|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)C)C2=C1 |c:29,t:9|
OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
OC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:27,t:11|
OCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
CC(O)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
OC(C1CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:28,t:12|
FC(F)(F)OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:28,t:12|
COC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:11,t:9|
Cc1ccc(nc1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1cccc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
Fc1ccnc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
Fc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3cnc(F)cn3)C2=C1 |c:31,t:7|
O=C1CN=C(C=C2N1CCc1c2cccc1-n1nccn1)n1cnc(c1)C1CC1 |c:3,5|
Cc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cnc(F)nc1)n1cnc(c1)C1CC1 |c:7,t:5|
Fc1cncc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(OC(C)C)cccc3C2=C1 |c:29,t:9|
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:23,t:7|
Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
Cc1ncc(s1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Cc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1ccncc1
Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1 |r|
Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
Cc1cncc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1
Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1ccnc(C)n1
Clc1ccc2CCN(CCc2n1)C(=O)c1cc2ncc(Br)cn2n1
COc1ccc2CCN(CCc2n1)C(=O)c1cc2ncc(Br)cn2n1
Brc1cnc2cc(nn2c1)C(=O)N1CCc2ccsc2CC1
CCc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
Brc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1
Cc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
Clc1cc2CCN(CCc2nn1)C(=O)c1cc2ncc(Br)cn2n1
COCc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
Cc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1
Clc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1
Brc1cnc2cc(nn2c1)C(=O)N1CCc2[nH]c(=O)sc2CC1
CC(C)c1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
Cc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Cl)cn2n1
Brc1cnc2cc(nn2c1)C(=O)N1CCc2cccnc2CC1
Cn1cnc2CCN(CCc12)C(=O)c1cc2ncc(Br)cn2n1
Cn1c2CCN(CCc2sc1=O)C(=O)c1cc2ncc(Br)cn2n1
Cn1c2CCN(CCc2c2ccccc12)C(=O)c1cc2ncc(Br)cn2n1
CC(C)c1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Cl)cn2n1
Clc1cnc2cc(nn2c1)C(=O)N1CCc2[nH]c(=O)sc2CC1
Fc1cccc(c1)C#CC12CCC(C1)(CCC2)NC(=O)c1cnccn1
Clc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)C#Cc1cnccn1
O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r|
Cc1nccc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
Fc1ccc(nc1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
O=C(N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r|
Cc1nccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
Fc1ccc(nc1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
Cn1ccc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
Cc1csc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
Cn1ccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
Cc1csc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
Cc1cncc(n1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1cccc(F)c1)C2 |TLB:18:15:12:28.9.10,16:15:28:12.11.10,16:11:28:15.17.14,8:9:12:15.16.14,THB:17:15:12:28.9.10,17:9:12:15.16.14|
O=C(NC12CC3CC(C1)CC(C3)(C2)C#Cc1ccccn1)c1cnccn1 |TLB:2:3:6:9.10.11,13:10:6:3.4.8,THB:4:3:9:6.5.11,4:5:9:3.12.8,12:3:6:9.10.11,12:10:6:3.4.8|
Cc1csc(n1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1ccn(C)n1)C2 |TLB:15:14:26:11.10.9,15:10:26:14.16.13,7:8:11:14.15.13,17:14:11:26.8.9,THB:16:14:11:26.8.9,16:8:11:14.15.13|
O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1cnccn1 |r|
Fc1cccnc1C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
Cn1ccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
Cc1cccc(n1)C#C[C@]12CC[C@](C1)(CCC2)NC(=O)c1ccccn1 |r|
Fc1cccnc1C#C[C@]12CC[C@](C1)(CCC2)NC(=O)c1cnccn1 |r|
Cc1nc(cs1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
Cc1nc(cs1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
Cc1cncc(n1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C#Cc1cccnc1 |TLB:9:10:13:16.17.18,20:17:13:10.11.15,THB:11:10:16:13.12.18,11:12:16:10.19.15,19:10:13:16.17.18,19:17:13:10.11.15|
Fc1cncc(c1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C#Cc1cnccn1 |TLB:9:10:13:16.17.18,20:17:13:10.11.15,THB:11:10:16:13.12.18,11:12:16:10.19.15,19:10:13:16.17.18,19:17:13:10.11.15|
Cc1ccc(cn1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1cnccn1)C2 |TLB:18:15:12:27.9.10,16:15:27:12.11.10,16:11:27:15.17.14,8:9:12:15.16.14,THB:17:15:12:27.9.10,17:9:12:15.16.14|
Fc1ccc(cc1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Fc1ccccc1C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Fc1cccc(c1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Fc1ccc(cc1F)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Fc1cc(F)cc(c1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Fc1cccc(F)c1C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Fc1cccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)c1F
Fc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)c(F)c1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccccc2)c1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cccc(F)c2)c1
Fc1ccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)c(F)c1
Fc1ccc(cc1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(F)c(F)c2)c1
Cc1cccnc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
Cc1ccc(cn1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1ccc(F)cc1
CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1
CC1(C)CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1ccc(F)cc1
CC1N(CCn2nc(COc3ccccc3)cc12)C(=O)c1ccc(F)cc1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ncccc2F)c1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ncc(F)cc2F)c1
Cc1ncccc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cncc(F)c2)c1
Cc1cccc(n1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
O=C(N1CCn2nc(COc3ccccc3)cc2C1)c1cccc(c1)C#N
Fc1cc(cc(c1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1)C#N
Fc1cc(ccc1C#N)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Fc1ccc(cc1C#N)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Clc1cccnc1C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cccc(c2)C#N)c1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cc(F)cc(c2)C#N)c1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(C#N)c(F)c2)c1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(F)c(c2)C#N)c1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cnccn2)c1
Cc1cnc(cn1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccnnc2)c1
Cc1ncc(cn1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
Fc1ccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(F)cc2)cc1
Fc1ccc(OCc2cc3CN(CCn3n2)C(=O)c2cccc(F)c2)cc1
CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1cccc(F)c1
CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1cccc(c1)C#N
CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1cc(F)cc(c1)C#N
CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(F)c1
CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(c1)C#N
CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cc(F)cc(c1)C#N
Fc1ccc(cc1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1C(F)(F)F
CC(Oc1ccccc1)c1cc2CN(CCn2n1)C(=O)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)N1CCn2nc(COc3ccccc3)c(Cl)c2C1
Fc1c(COc2ccccc2)nn2CCN(Cc12)C(=O)c1ccc(F)cc1
Cc1c(COc2ccccc2)nn2CCN(Cc12)C(=O)c1ccc(F)cc1
Nc1c(COc2ccccc2)nn2CCN(Cc12)C(=O)c1ccc(F)cc1
COc1c(COc2ccccc2)nn2CCN(Cc12)C(=O)c1ccc(F)cc1
Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O
[O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl
CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(Cl)c1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1ccccc1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(F)c1 |c:7|
COc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)c(F)c2)cc1
Fc1ccc(cc1)N1CCn2nc(CNc3ccccc3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3ccccc3F)cc2C1=O
Cc1ccccc1NCc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
Fc1ccc(cc1)N1CCn2nc(CNc3ccccc3Cl)cc2C1=O
COc1ccccc1NCc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
Fc1ccc(cc1)N1CCn2nc(CNc3cccc(F)c3)cc2C1=O
Cc1cccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)c1
Fc1ccc(cc1)N1CCn2nc(CNc3cccc(Cl)c3)cc2C1=O
COc1cccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)c1
Fc1ccc(cc1)N1CCn2nc(CNc3cccc(c3)C#N)cc2C1=O
FC(F)Oc1cccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)c1
Fc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Cc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(Br)cc3)cc2C1=O
COc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(cc3)C#N)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(cc3)C(F)(F)F)cc2C1=O
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(OC(F)(F)F)cc3)cc2C1=O
CCc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
CC(C)c1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
CC(C)(C)c1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
CS(=O)(=O)c1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(cc3)C#C)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3cccc(F)c3F)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(F)cc3F)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3cc(F)ccc3F)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3cc(F)cc(F)c3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(F)c(F)c3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3c(F)cccc3F)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3c(F)cc(F)cc3F)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(Cl)cc3F)cc2C1=O
Cc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)c(F)c1
Cc1cc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)ccc1F
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1F
Fc1ccc(cc1)N1CCn2nc(CNc3ccc4OC(F)(F)Oc4c3)cc2C1=O
C[C@@H]1CN(C(=O)c2cc(CNc3ccccc3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccccc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccccc3F)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccccc3F)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccccc3C)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccccc3C)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3cccc(C)c3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3cccc(C)c3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3cccc(Cl)c3F)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3cccc(Cl)c3F)nn12)c1ccc(F)cc1 |r|
COc1cccc(NCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)c1 |r|
COc1cccc(NCc2cc3C(=O)N(C[C@H](C)n3n2)c2ccc(F)cc2)c1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3cccc(OC(F)F)c3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3cccc(OC(F)F)c3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccc(F)cc3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccc(F)cc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccc(C)cc3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccc(C)cc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccc(Cl)cc3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccc(Cl)cc3)nn12)c1ccc(F)cc1 |r|
COc1ccc(NCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1 |r|
COc1ccc(NCc2cc3C(=O)N(C[C@H](C)n3n2)c2ccc(F)cc2)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccc(OC(F)F)cc3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccc(OC(F)F)cc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccc(CC#N)cc3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccc(CC#N)cc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3cccc(F)c3F)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3cccc(F)c3F)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3cc(F)ccc3F)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3cc(F)ccc3F)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3c(F)cccc3F)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3c(F)cccc3F)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3cc(F)cc(F)c3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccc(F)cc3F)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccc(F)cc3F)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3ccc(F)c(F)c3)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3ccc(F)c(F)c3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(CNc3c(F)cc(F)cc3F)nn12)c1ccc(F)cc1 |r|
C[C@H]1CN(C(=O)c2cc(CNc3c(F)cc(F)cc3F)nn12)c1ccc(F)cc1 |r|
COc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(Cl)cc2)cc1
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccccc1
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccccc1F
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccccc1Cl
COc1ccccc1N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1cccc(F)c1
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1cccc(Cl)c1
COc1cccc(c1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccc(F)cc1
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccc(Cl)cc1
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccc(Br)cc1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccc(cc1)C#N
CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1cc(F)cc(F)c1
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2cccc(F)c2)c(F)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(Cl)cc1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(F)c(F)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccc(Cl)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(C)cc1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccccc1Cl
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccc(F)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1c(F)cc(F)cc1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccc(C)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cc(F)cc(F)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccccc1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1c(F)cccc1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccc(F)c1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(C)cc1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1C
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccccc1C
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccccc1C#N
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccc(OC)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(OC)cc1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1csc(C)n1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccc(c1)C#N
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccccn1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(cc1)C#N
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccccc1OC
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccnc1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cn1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(OC(F)F)cc1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(Cl)cn1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(Cl)cc1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccc(F)c1Cl
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cc(Cl)ccc1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1c(F)cc(Cl)cc1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cc(F)ccc1Cl
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1Cl
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cc(Cl)cc(Cl)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cc(F)cc(OC)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(F)c(Cl)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cc(Cl)cc(OC)c1
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1cccc(Cl)c1F
COc1ccc(cc1)N(C)Cc1cc2C(=O)N(CCn2n1)c1ccc(Cl)c(F)c1
Cc1cnc(s1)N1CCn2nc(CNc3ccc(OC(F)F)cc3)cc2C1=O
CN(Cc1cc2C(=O)N(CCn2n1)c1cc(Cl)ccn1)c1ccc(OC(F)F)cc1
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2cc(Cl)ccn2)c(F)c1
Cc1nc(cs1)N1CCn2nc(CNc3ccc(OC(F)F)cc3F)cc2C1=O
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2F)c(F)c1
COc1cccc(c1)N1CCn2nc(CNc3ccc(OC(F)F)cc3F)cc2C1=O
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ncccc2F)c(F)c1
Cc1ccc(nc1)N1CCn2nc(CNc3ccc(OC(F)F)cc3F)cc2C1=O
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)c(F)c2)c(F)c1
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cn2)c(F)c1
COc1cc(F)cc(c1)N1CCn2nc(CNc3ccc(OC(F)F)cc3F)cc2C1=O
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(Cl)cn2)c(F)c1
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(Cl)cc2F)c(F)c1
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2cccc(Cl)c2)c(F)c1
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccccn2)c(F)c1
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2cc(F)cc(F)c2)c(F)c1
FC(F)Oc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccccc2F)c(F)c1
Fc1ccc(cc1)N1CCn2nc(CNc3ncccc3Cl)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(F)cn3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3ccccn3)cc2C1=O
Cc1cccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)n1
Fc1ccc(cc1)N1CCn2nc(CNc3ccc(Cl)cn3)cc2C1=O
Cc1ccc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)nc1
Cc1cccnc1NCc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
Cc1ccnc(NCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)c1
Fc1ccc(cc1)N1CCn2nc(CNc3ncccc3C(F)(F)F)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3cccc(Cl)n3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3cc(Cl)ccn3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3ncccc3F)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(CNc3cccc(n3)C(F)(F)F)cc2C1=O
CCCN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)c(F)c1)c1ccc(Cl)cc1
CCN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)c(F)c1)c1ccc(Cl)cc1
COc1ccc(NC(C)c2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
CC(Nc1ccccc1)c1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
CC(Nc1ccc(F)cc1)c1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
CC(Nc1ccc(Cl)cc1)c1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
CCc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Cc1ccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)nc1
Cc1ccncc1-c1cc(C(=O)Nc2ccc(F)cn2)c2ncnn2c1
Cc1ccncc1-c1cc(C(=O)Nc2ccccn2)c2ncnn2c1
COc1ccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)nc1
Cc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
COc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccccc2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3ncccc3c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccnc2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)nn2C)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc(C)c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3occc3c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnc(F)c(C)c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc3n(C)ncc23)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnc(C)c2)n1
COc1cnc(cn1)-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cn(C)nc2C)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc(F)nc2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccnc2F)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3n(C)ccc3c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3n(C)ncc3c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc3ccccc3o2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc3cnn(C)c23)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3cnn(C)c3c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncc(C)c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)cc(C)c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccccc2C)n1
COc1ccc(C)c(c1)-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C2CC2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncc(c2)C(F)(F)F)n1
CCc1ccncc1-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(F)cnc2C)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc(F)c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnn(C)c2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnn2C)n1
CCn1nccc1-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncnc2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)n[nH]2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccncc2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnnc2)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnncc2C)n1
Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccn(C)n2)n1
Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccccn2)c2nccn2c1
Cc1csc(NC(=O)c2cc(cn3ccnc23)-c2cc(C)n[nH]2)n1
Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccc(C)cn2)c2nccn2c1
Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccc(F)cn2)c2nccn2c1
Cc1cc(-c2cc(C(=O)Nc3ccc(F)cn3)c3ncnn3c2)n(C)n1
Cc1cc(-c2cc(C(=O)Nc3cccc(F)n3)c3ncnn3c2)n(C)n1
Cn1nccc1-c1cc(C(=O)Nc2ccc(F)cn2)c2nncn2c1
CC1=NN=C(C1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncnn2c1 |c:3,t:1|
Fc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
C(Oc1ccccc1)c1cn2cc(cnc2n1)-c1ccccc1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccc3)cn2c1
COc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
Cc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
Fc1cccc(c1F)-c1cnc2nc(COc3ccccc3)cn2c1
Fc1ccc(cc1)-c1cnc2nc(COc3ccccc3)cn2c1
Nc1cccc(c1)-c1cnc2nc(COc3ccccc3)cn2c1
Nc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
Cc1ccc(N)cc1-c1cnc2nc(COc3ccccc3)cn2c1
Nc1cc(ccc1F)-c1cnc2nc(COc3ccccc3)cn2c1
Fc1ccc(cc1Cl)-c1cnc2nc(COc3ccccc3)cn2c1
CN(C)c1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
Fc1ccc(c(Cl)c1)-c1cnc2nc(COc3ccccc3)cn2c1
Oc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
Oc1cccc(c1)-c1cnc2nc(COc3ccccc3)cn2c1
Fc1ccc(-c2cnc3nc(COc4ccccc4)cn3c2)c(c1)C(F)(F)F
Fc1ccc(cc1F)-c1cnc2nc(COc3ccccc3)cn2c1
COc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
COc1cc(ccc1F)-c1cnc2nc(COc3ccccc3)cn2c1
COc1cc(Cl)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
COc1cc(ccc1-c1cnc2nc(COc3ccccc3)cn2c1)C#N
Fc1ccc(c2OCOc12)-c1cnc2nc(COc3ccccc3)cn2c1
OCc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
CSc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
Nc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
COc1cc(c(F)cc1F)-c1cnc2nc(COc3ccccc3)cn2c1
Fc1ncccc1-c1cnc2nc(COc3ccccc3)cn2c1
COc1ccc(cn1)-c1cnc2nc(COc3ccccc3)cn2c1
Fc1ccc(cn1)-c1cnc2nc(COc3ccccc3)cn2c1
Cc1ccncc1-c1cnc2nc(COc3ccccc3)cn2c1
Fc1ccc(c(F)n1)-c1cnc2nc(COc3ccccc3)cn2c1
Clc1ccc(cn1)-c1cnc2nc(COc3ccccc3)cn2c1
Fc1cc(ccn1)-c1cnc2nc(COc3ccccc3)cn2c1
Clc1cnccc1-c1cnc2nc(COc3ccccc3)cn2c1
Clc1ccc(cc1)-c1cnc2nc(COc3ccccc3)cn2c1
Cc1cc(F)ncc1-c1cnc2nc(COc3ccccc3)cn2c1
Cc1cc(cnc1F)-c1cnc2nc(COc3ccccc3)cn2c1
Fc1ccc(nc1)-c1cnc2nc(COc3ccccc3)cn2c1
Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2F)c1
COc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
Oc1cc(ccc1F)-c1cnc2nc(COc3cccc(F)c3)cn2c1
Nc1ccccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccncc2Cl)c1
Cc1ccncc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2F)cc1
Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccncc2Cl)cc1
Cc1cccc(C)c1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)nc2)cc1
Oc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2)cc1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2)cc1
Fc1ccc(cc1)-c1cnc2nc(COc3cccc(F)c3)cn2c1
Oc1cc(ccc1F)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccccc2)cc1
Oc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
Oc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1ccccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1ccc(F)cc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccnc(F)c2)cc1
Oc1ccccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1ccc(c(F)c1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(nc2)C(F)(F)F)cc1
Nc1ccccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2Cl)cc1
COc1cc(ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1)C#N
COc1cc(Cl)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Nc1cc(ccc1F)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(F)nc2F)c1
Cc1ccc(cc1N)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Nc1cc(F)c(F)cc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1ccc(c(N)c1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Nc1cc(Cl)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1ccc(N)c(c1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Nc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1ccncc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccnc(F)c2)c1
Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(nc2)C(F)(F)F)c1
Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(F)nc2)c1
Fc1cccc(OCc2cn3cc(cnc3n2)-c2cccnc2F)c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2cnc(F)c(F)c2)cc1
COc1ccc(cc1N)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cn2)cc1
COc1ccc(nc1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2cnccc2Cl)cc1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2cncc(Cl)c2)cc1
COc1cncc(c1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Oc1ccc(cn1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1cc(cnc1F)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1ccc(cn1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Fc1ccc(nc1)-c1cnc2nc(COc3cccc(F)c3)cn2c1
Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2C(F)(F)F)c1
COc1cc(ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1)C#N
OCc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
CSc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
COc1cc(ccn1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
Cc1ccc(N)c(c1)-c1cnc2nc(COc3cccc(F)c3)cn2c1
Nc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
Fc1ccc(cc1)-c1cnc2nc(COc3ccccn3)cn2c1
Cc1ccccc1-c1cnc2nc(COc3ccccn3)cn2c1
COc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccn3)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
Fc1cccc(c1F)-c1cnc2nc(COc3ccccn3)cn2c1
Cc1ccc(F)cc1-c1cnc2nc(COc3ccccn3)cn2c1
Cc1c(F)cccc1-c1cnc2nc(COc3ccccn3)cn2c1
Fc1ccc(c2OCOc12)-c1cnc2nc(COc3ccccn3)cn2c1
COc1cc(Cl)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
COc1c(F)cccc1-c1cnc2nc(COc3ccccn3)cn2c1
Fc1ccc(-c2cnc3nc(COc4ccccn4)cn3c2)c(c1)C(F)(F)F
Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
CCc1ccccc1-c1cnc2nc(COc3ccccn3)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3cc(F)ccn3)cn2c1
Cc1ccc(c(F)c1)-c1cnc2nc(COc3ccccn3)cn2c1
COc1cc(F)ccc1-c1cnc2nc(COc3cc(F)ccn3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2C(F)(F)F)nc1
Fc1ccnc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2F)c1
COc1c(F)cccc1-c1cnc2nc(COc3cc(F)ccn3)cn2c1
Fc1ccnc(OCc2cn3cc(cnc3n2)-c2cccc(F)c2F)c1
Fc1ccc(cc1)-c1cnc2nc(COc3cc(F)ccn3)cn2c1
Cc1c(F)cccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
Fc1ccnc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2C(F)(F)F)c1
Cc1ccccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
Cc1cc(Cl)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
Cc1ccc(c(C)c1)-c1cnc2nc(COc3ccc(F)cn3)cn2c1
Fc1ccc(cc1)-c1cnc2nc(COc3ccc(F)cn3)cn2c1
FC(F)(F)c1ccc(cn1)-c1cnc2nc(COc3ccccn3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(nc2)C(F)(F)F)nc1
Fc1ccc(nc1)-c1cnc2nc(COc3ccccn3)cn2c1
Nc1cc(ccc1F)-c1cnc2nc(COc3ccc(F)cn3)cn2c1
Nc1cc(ccc1F)-c1cnc2nc(COc3ccccn3)cn2c1
OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
COc1cc(ccc1-c1cnc2nc(COc3ccccn3)cn2c1)C#N
COc1cc(ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1)C#N
CSc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
N#Cc1ccc(cc1)-c1cnc2nc(COc3ccccn3)cn2c1
COCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
OCc1cc(ccc1-c1cnc2nc(COc3ccccn3)cn2c1)C(F)(F)F
CC(C)c1ccccc1-c1cnc2nc(COc3ccccn3)cn2c1
FC(F)(F)c1cc(C=O)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
FC(F)(F)c1cc(Cl)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
Fc1ccc(cc1)-c1cnc2nc(COc3cccnc3)cn2c1
COc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3cccnc3)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1
Oc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1
COc1cc(F)ccc1-c1cnc2nc(COc3ccncc3)cn2c1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccncc3)cn2c1
Cc1ccccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
COc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
Oc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccc(F)nc3)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)nc3)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3cccnc3F)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3cncc(Cl)c3)cn2c1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccnc(F)c3)cn2c1
Cc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
COc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
Fc1ccc(cc1)-c1cnc2nc(COc3ccnc(F)c3)cn2c1
Fc1cc(OCc2cn3cc(cnc3n2)-c2cccc(F)c2F)ccn1
Fc1cc(OCc2cn3cc(cnc3n2)-c2ccccc2F)ccn1
Oc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
Cc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
Oc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
OCc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
Fc1ccc(cc1)-c1cnc2nc(COc3cncc(F)c3)cn2c1
Fc1ccc(cc1)-c1cnc2nc(COc3ccnc(Cl)c3)cn2c1
Fc1ccc(-c2cnc3nc(COc4cncc(F)c4)cn3c2)c(c1)C(F)(F)F
Fc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3c2)c(c1)C(F)(F)F
Nc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
Nc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
OCc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccc3)cn2n1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccncc3)cn2n1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccn3)cn2n1
Fc1ccc(cc1)-c1cnc2nc(COc3ccccn3)cn2n1
Cc1ccccc1-c1cnc2nc(COc3ccccn3)cn2n1
Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccnc(F)c3)cn2n1
Cc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2n1
Cc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2n1
Fc1ccc(-c2cnc3nc(COc4ccccn4)cn3n2)c(c1)C(F)(F)F
Cc1c(F)cccc1-c1cnc2nc(COc3ccccn3)cn2n1
Cc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2n1
FC(F)(F)c1cc(Cl)ccc1-c1cnc2nc(COc3ccccn3)cn2n1
Cc1cc(Cl)ccc1-c1cnc2nc(COc3ccccn3)cn2n1
Cc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)n3)cn2n1
Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2n1
NC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
NC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
NC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
CC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2CCl)cc1
FCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
FCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
CC(C)(C)OC(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:14|
Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)c1ccco1 |t:10|
CCOC(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:12|
CCN(C(C)C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:15|
Cc1cccc(n1)C#CC1=NOC2C1CCN2C(=O)OC(C)(C)C |t:10|
Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCOCC1 |t:10|
CN(C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:12|
Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCCC1 |t:10|
Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCC1 |t:10|
Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)OC(C)(C)C |t:10|
Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCC1 |t:10|
Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCCC1 |t:10|
Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCOCC1 |t:10|
CCN(CC)C(=O)N1CCC2C1ON=C2C#Cc1cccc(C)c1 |c:14|
CON(C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(C)c1 |c:13|
CCOC(=O)N1CCC2C1ON=C2C#Cc1cccc(C)c1 |c:12|
Cc1cccc(n1)C#CC1=NOC2C1CCN2C(=O)N1CCCCC1 |t:10|
Cc1cccc(n1)C#CC1=NOC2C1CCN2C(=O)N1CCOCC1 |t:10|
CON(C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(C)n1 |c:13|
CCOC(=O)N1CCC2C1ON=C2C#Cc1cccc(C)n1 |c:12|
CCOc1cccc(c1)C1=NCC(=O)N2C(C)Cc3c(OC)cccc3C2=C1 |c:29,t:10|
Cn1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(C)c1 |c:10,t:8|
Fc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
CC1=C2N(CCc3c(I)cccc23)C(=O)CN=C1n1cnc(c1)C1CC1 |c:18,t:1|
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:14,t:12|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cnco1)n1cnc(c1)C1CC1 |c:3,5|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
COc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
CC(C)(C)[Si](OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1)(c1ccccc1)c1ccccc1 |c:29,t:13|
Fc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(O)cccc3C2=C1 |c:26,t:9|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2C1)C1CC1 |t:9|
Fc1c(Cl)cc(cc1-c1cc(ncn1)-c1ccccn1)C#N
Clc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Clc1cc(cc(c1)-c1cc(ncn1)-c1ccc(cn1)C#N)C#N
Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Clc1cc(cc(c1)-c1cc(ncn1)-c1cccnn1)C#N
Clc1cc(cc(c1)-c1cc(ncn1)-c1ccncn1)C#N
Cc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N
Fc1c(Cl)cc(cc1-c1cc(ccn1)-n1cccn1)C#N
Fc1c(Cl)cc(cc1-c1ccnc(c1)-n1cccn1)C#N
Fc1cnn(c1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N
FCc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N
Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(c1)C#N)C#N
Cc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Clc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
N#Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N
Cc1ccc(nc1)-c1cc(ncn1)-c1cc(C)cc(c1)C#N
COCc1cc(cc(c1)-c1cc(ncn1)-c1ccc(F)cn1)C#N
COc1cc(cc(c1)-c1cc(ncn1)-c1ccc(F)cn1)C#N
Fc1cc(cc(c1)N1CC2CC2(C1)C#Cc1ccccn1)C#N
Fc1ccc(cc1)N1CC2CC2(C1)C#Cc1ccccn1
FC(F)(F)Oc1ccc(cc1)N1CC2CC2(C1)C#Cc1ccccn1
C1C2CN(CC12C#Cc1ccccn1)c1ccccc1
Fc1ccccc1N1CC2CC2(C1)C#Cc1ccccn1
Clc1ccccc1N1CC2CC2(C1)C#Cc1ccccn1
Clc1cccc(c1)N1CC2CC2(C1)C#Cc1ccccn1
Clc1ccc(cc1)N1CC2CC2(C1)C#Cc1ccccn1
Fc1cc(Cl)cc(c1)N1CC2CC2(C1)C#Cc1ccccn1
Fc1cc(Cl)ccc1N1CC2CC2(C1)C#Cc1ccccn1
Fc1cc(ccc1Cl)N1CC2CC2(C1)C#Cc1ccccn1
N#Cc1cccc(c1)N1CC2CC2(C1)C#Cc1ccccn1
Fc1cc(F)cc(c1)N1CC2CC2(C1)C#Cc1ncccn1
Fc1cccc(c1)N1CC2CC2(C1)C#Cc1ncccn1
Cc1nc(cs1)C#CC12CC1CN(C2)c1cccc(c1)C#N
Cc1nc(cs1)C#CC12CC1CN(C2)c1cncc(F)c1
N#Cc1cccc(c1)N1CC2CC2(C1)C#Cc1ncccn1
Fc1cncc(c1)N1CC2CC2(C1)C#Cc1ccccn1
Fc1ccc(nc1)N1CC2CC2(C1)C#Cc1ccccn1
N#Cc1ccnc(c1)N1CC2CC2(C1)C#Cc1ccccn1
C1C2CN(CC12C#Cc1ccccn1)c1ccc2[nH]ccc2n1
C1C2CN(CC12C#Cc1ccccn1)c1ccc2[nH]cnc2c1
N#Cc1cccc(n1)N1CC2CC2(C1)C#Cc1ccccn1
Cc1cccc(n1)C#CC12CC1CN(C2)c1cncc(F)c1
N#Cc1cncc(c1)N1CC2CC2(C1)C#Cc1ccccn1
Fc1cncc(c1)N1CC2CC2(C1)C#Cc1ncccn1
O=S(=O)(N1CC2CC2(C1)C#Cc1ccccn1)c1ccccc1
Clc1cccc(c1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1
O=C(N1CC2CC2(C1)C#Cc1ccccn1)c1ccccn1
O=C(N1CC2CC2(C1)C#Cc1ccccn1)c1ccccc1
O=C(Cc1ccccc1)N1CC2CC2(C1)C#Cc1ccccn1
Clc1ccccc1C(=O)N1CC2CC2(C1)C#Cc1ccccn1
CCCCC(=O)N1CC2CC2(C1)C#Cc1ccccn1
O=C(CCc1ccccc1)N1CC2CC2(C1)C#Cc1ccccn1
Clc1ccc(cc1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1
Clc1cccc(c1)S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1
Clc1ccc(cc1)S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1
Clc1ccccc1S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1
Cc1ccc(cc1)S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1
Fc1cccc(c1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1
Fc1ccccc1S(=O)(=O)N1CC2CC2(C1)C#Cc1ccccn1
Cc1cccc(n1)C#CC12CC1CN(C2)C(=O)c1cccc(F)c1
Cc1nc(cs1)C#CC12CC1CN(C2)C(=O)c1cccc(Cl)c1
O=C(C1CCCC1)N1CC2CC2(C1)C#Cc1ccccn1
CC(C)(C)C(=O)N1CC2CC2(C1)C#Cc1ccccn1
COC(=O)N1CC2CC2(C1)C#Cc1ccccn1
Clc1cncc(c1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1
Clc1ccnc(c1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1
Clc1ccc(cn1)C(=O)N1CC2CC2(C1)C#Cc1ccccn1
Clc1cccc(c1)C(=O)N1CC2CC2(C1)C#Cc1ncccn1
CC(C)C(=O)N1CC2CC2(C1)C#Cc1cccc(C)n1
CC(C)C(=O)N1CC2CC2(C1)C#Cc1cccc(Cl)n1
Cc1nc(cs1)C#CC12CC1CN(C2)C(=O)c1ccccc1
CCCCC(=O)N1CC2CC2(C1)C#Cc1csc(C)n1
CC(C)C(=O)N1CC2CC2(C1)C#Cc1csc(C)n1
Cc1nc(cs1)C#CC12CC1CN(C2)C(=O)C(C)(C)C
O=C(Nc1ccccc1)N1CC2CC2(C1)C#Cc1ccccn1
CCCNC(=O)N1CC2CC2(C1)C#Cc1ccccn1
O=C(N1CCCC1)N1CC2CC2(C1)C#Cc1ccccn1
FC(F)(F)CNC(=O)N1CC2CC2(C1)C#Cc1ccccn1
Fc1cc(cc(c1)N1CC2CC2(C1)C#Cc1cnccn1)C#N
Fc1cc(cc(c1)N1CC2CC2(C1)C#Cc1ncccn1)C#N
Cc1cccnc1C#CC12CC1CN(C2)c1cc(F)cc(c1)C#N
Fc1cc(cc(c1)N1CC2CC2(C1)C#Cc1cccnn1)C#N
Fc1cc(cc(c1)N1CC2CC2(C1)C#Cc1ccnc(Cl)c1)C#N
Cc1cccc(n1)C#CC12CC1CN(C2)c1cc(F)cc(c1)C#N
Fc1cc(cc(c1)N1CC2CC2(C1)C#Cc1cccc(Cl)n1)C#N
COc1cccc(n1)C#CC12CC1CN(C2)c1cc(F)cc(c1)C#N
Cc1nc(cs1)C#CC12CC1CN(C2)c1cc(F)cc(c1)C#N
CC(COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1
CC(COc1ccccc1)Oc1ccn(-c2ccc(F)cc2)c(=O)c1
Fc1cccc(c1)-n1ccc(OCCOc2ccccc2)nc1=O
Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccccc2)nc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1cccc(c1)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)cc1=O
Fc1cc(F)cc(c1)-n1ccc(OCCOc2ccccc2)cc1=O
O=c1cc(OCCOc2ccccc2)ccn1-c1cccc(c1)C#N
Fc1cc(cc(c1)-n1ccc(OCCOc2ccccc2)cc1=O)C#N
Fc1ccc(cc1)-n1cnc(OCCOc2ccccc2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccccc2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(F)c2)cc1=O
Fc1ccc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)cc1
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(F)c2F)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(Cl)cc2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cccc(c2)C#N)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(F)nc2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cc(Cl)ccn2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ncccc2Cl)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2ccc(Cl)cn2)cc1=O
Fc1ccc(cc1)-n1ccc(OCCOc2cc(ccn2)C#N)cc1=O
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
O=S(=O)Nc1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1cnc(s1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccoc1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccc(nc1)C(F)(F)F
Cc1nc(cs1)-c1cccc(c1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccco1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1cc2ccccc2s1
Fc1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
Fc1ccc(cc1)-c1ccc(s1)-c1csc(n1)-c1ccccc1
Fc1ccccc1-c1cccc(c1)-c1csc(n1)-c1ccccc1
COc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
[O-][N+](=O)c1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
N#Cc1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1cccs1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1cc2ccccc2o1
OC(=O)c1cc(ccc1F)-c1ccc(cc1)-c1csc(n1)-c1ccccc1
OC(=O)c1cc(ccc1F)-c1ccccc1-c1csc(n1)-c1ccccc1
COc1cc(ccc1F)-c1cccc(c1)-c1csc(n1)-c1ccccc1
ON=Cc1cc(ccc1F)-c1cccc(c1)-c1csc(n1)-c1ccccc1 |w:1.0|
Clc1cccc(c1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
c1sc(nc1-c1cccc(c1)-c1ccccc1)-c1ccccc1
COc1ccccc1-c1cccc(c1)-c1csc(n1)-c1ccccc1
Clc1ccc(cc1)-c1cccc(c1)-c1csc(n1)-c1ccccc1
OC(=O)c1ccccc1-c1cccc(c1)-c1csc(n1)-c1ccccc1
Clc1ccccc1-c1cccc(c1)-c1csc(n1)-c1ccccc1
Fc1ccc(cc1)-c1csc(n1)-c1ccccc1
COc1ccc(cc1OC)-c1nc(cs1)-c1cccc(c1)-c1ccccc1
c1sc(nc1-c1cccc(c1)-c1ccccc1)-c1cccc2ccccc12
COc1ccc(cc1)-c1nc(cs1)-c1cccc(c1)-c1ccccc1
c1sc(nc1-c1cccc(c1)-c1ccccc1)-c1ccc2ccccc2c1
OC(=O)c1cccc(c1)-c1nc(cs1)-c1cccc(c1)-c1ccccc1
C1COc2c(O1)cccc2-c1nc(cs1)-c1cccc(c1)-c1ccccc1
Clc1ccc(cn1)-c1nc(cs1)-c1cccc(c1)-c1ccccc1
C(=C/c1ccccc1)\c1nc(cs1)-c1cccc(c1)-c1ccccc1
c1sc(nc1-c1cccc(c1)-c1cccc(c1)-c1nn[nH]n1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1nsc(n1)-c1ccccc1
c1ccc(cc1)-c1nc(ns1)-c1cccc(c1)-c1ccccc1
Fc1cccc(c1)-c1cccc(c1)-c1nsc(n1)-c1ccccc1
Fc1ccccc1-c1cccc(c1)-c1nsc(n1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1nsc(n1)-c1ccoc1
Fc1cccc(c1)-c1cccc(c1)-c1nsc(n1)-c1ccoc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1cc(sn1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1csc(c1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1coc(c1)-c1ccccc1
c1oc(nc1-c1cccc(c1)-c1ccccc1)-c1ccccc1
c1ccc(cc1)-c1nc(no1)-c1cccc(c1)-c1ccccc1
c1c(noc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
c1ccc(cc1)-c1nc(nn1-c1ccccc1)-c1cccc(c1)-c1ccccc1
Cn1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
Fc1cccc(c1)-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
c1csc(c1)-c1nc(nn1-c1ccccc1)-c1cccc(c1)-c1ccccc1
C(c1ccccc1)n1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
COc1ccc(cc1)-n1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
Fc1cccc(c1)-n1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
c1ccc(cc1)-c1nc(nn1-c1cccc2ccccc12)-c1cccc(c1)-c1ccccc1
FC(F)(F)c1ccc(cn1)-c1nc(nn1-c1ccccc1)-c1cccc(c1)-c1ccccc1
c1cc(co1)-c1nc(nn1-c1ccccc1)-c1cccc(c1)-c1ccccc1
OC(=O)c1ccccc1-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
c1coc(c1)-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
Fc1ccccc1-c1cccc(c1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1
CC(C)n1nc(nc1-c1ccccc1)-c1cccc(c1)-c1ccccc1
c1ccc(cc1)-c1nc(n[nH]1)-c1cccc(c1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1nc(nn1-c1ccccc1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1cn(c(n1)-c1ccccc1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1cc([nH]n1)-c1ccccc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(cc1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccccc1-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(cc1Cl)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(cc(c1)[N+]([O-])=O)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
COc1ccc(cc1-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F)C(O)=O
OC(=O)c1ccc(c(Cl)c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(F)c(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(s1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1ccc(cc1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1Cl)-c1ccc(cc1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(F)cc(c1)-c1ccc(cc1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
CNC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccccc1
COc1ccc(cc1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cccs1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
COc1ccc(cc1C(O)=O)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Cc1ccccc1-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1cccc(c1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1cc(C)cc(c1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(\C=C\c2ccccc2)cc(n1)C(F)(F)F
CC(C)(C)c1ccc(cc1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cccnc1F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(Cl)cc1
COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccccc1F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cc2ccccc2o1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cc2ccccc2s1
CSc1ccc(cc1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccccc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc[nH]1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1sccc1Cl
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1nccs1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(Cl)cc1F
Cc1noc(C)c1-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1ccc(s1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OC(=O)c1ccc(F)c(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OC(=O)c1cccc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1cccnc1
Cc1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)-c1ccoc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nccc(n1)-c1ccoc1
Cc1cc(nc(n1)-c1cccc(c1)-c1cccc(c1)C(O)=O)-c1ccoc1
COc1ccc(cn1)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Cc1cc(nc(n1)-c1cccc(c1)-c1cc(F)cc(c1)C(O)=O)-c1ccoc1
OC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccsc1
FC(F)(F)c1ccc(cn1)-c1cc(nc(n1)-c1cccc(c1)-c1cccc(c1)-c1nn[nH]n1)C(F)(F)F
Fc1ccc(cc1-c1nn[nH]n1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
NS(=O)(=O)c1cccc(c1)-c1cn(cn1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
Nc1cccc(c1)-c1cn(cn1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
OC(=O)c1cc(ccc1F)-c1cccc(Nc2nc(cc(n2)C(F)(F)F)-c2ccco2)c1
OC(=O)c1cc(ccc1F)-c1cccc(Oc2nc(cc(n2)C(F)(F)F)-c2ccco2)c1
OC(=O)c1cc(ccc1F)-c1cccc(Sc2nc(cc(n2)C(F)(F)F)-c2ccco2)c1
Fc1ccc(cc1)C#Cc1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F
ONC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
CONC(=O)c1cc(ccc1F)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
Fc1ccc(cc1-c1noc(=O)[nH]1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
Fc1ccc(cc1-c1noc(=S)[nH]1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
Fc1ccc(cc1-c1nsc(=O)[nH]1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccoc1
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Sc2ncccn2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)S(=O)(=O)c1ncccn1 |c:4|
Cc1cccc(n1)C#Cc1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Nc2ccccn2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)B1OC(C)(C)C(C)(C)O1 |c:4|
Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(Oc3ccccc3)c2)cc1C(F)(F)F
Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(OCc3ccccc3)c2)cc1C(F)(F)F
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(Br)c2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cc(F)cc(F)c2)c1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ncccn2)c1 |c:4|
Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(Oc3ccccn3)c2)cc1C(F)(F)F
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Br)c1 |c:4|
CCOC(=O)\C=C\c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:14|
CCCOC(=O)CCc1cccc(c1)C1CC(=O)Nc2cc(c(C)cc2N1)C(F)(F)F |w:14.14|
CCOC(=O)CCc1cccc(c1)C1CC(=O)Nc2cc(c(C)cc2N1)C(F)(F)F |w:13.13|
Brc1cccc(c1)C1=Nc2ccc(NC(=O)OCc3ccccc3)cc2NC(=O)C1 |t:8|
Brc1cccc(c1)C1CC(=O)Nc2cc(NC(=O)OCc3ccccc3)ccc2N1 |w:7.7|
CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)CC(=O)c1ccnc(c1)C#N)C(=O)OC(C)(C)C
Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:5|
Cc1cc(cc(C)n1)-c1cccc(c1)C1CC(=O)Nc2cc(NC(=O)OCc3ccccc3)ccc2N1 |w:14.15|
Cc1cc(cc(C)n1)-c1cccc(c1)C1CC(=O)Nc2cc(NC(=O)Oc3ccccc3)ccc2N1 |w:14.15|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ncccn2)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Sc2ncccn2)c1 |w:5.18|
Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(c2)-n2ccc3ccccc23)cc1C(F)(F)F
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)C(=O)NCC#C |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(c2)C(F)(F)F)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(Br)c2)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cc(F)cc(F)c2)c1
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)C#C[Si](C)(C)C
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2ccccc2)c1 |w:5.18|
Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(OCc2ccccc2)c1
Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Fc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
Clc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
Brc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
Ic1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:8|
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:14|
Clc1ccc(cc1)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:12|
Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:12|
Fc1ncccc1-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:12|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:8|
Fc1cc(F)cc(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:13|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Br)c1 |c:8|
CCOc1ccc(cc1)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:14|
Cc1cccc(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:12|
FC(F)(F)c1ccc(-c2ccc3N=C(CC(=O)Nc3c2)c2ccnc(Br)c2)c(c1)C(F)(F)F |c:12|
COc1ccc(cc1OC)-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:15|
Cc1cc(Cl)ccc1-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1 |c:13|
Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccccc1 |t:8|
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)-c1ccccc1 |c:8|
Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Fc1ccccc1-c1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F |t:15|
Fc1cc(ccc1-c1ccc2N=C(CC(=O)Nc2c1)c1ccnc(Cl)c1)C(F)(F)F |c:12|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)C#Cc1ccccc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)C#CCO |c:4|
Fc1ccc(NC(=O)c2cc(ccc2F)C#Cc2ccccn2)cc1
Cc1nc(cs1)C#Cc1ccc(F)c(c1)C(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)c2cc(ccc2Cl)C#Cc2ccccn2)cc1
Cc1nc(cs1)C#Cc1ccc(Cl)c(c1)C(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)c2cc(ccc2F)C#Cc2ccncc2)cc1
Cc1ccc(cc1C(=O)Nc1ccc(F)cc1)C#Cc1ccccn1
Cc1nc(cs1)C#Cc1ccc(C)c(c1)C(=O)Nc1ccc(F)cc1
Fc1ccc(cc1C(=O)Nc1cccnc1)C#Cc1ccccn1
Cc1nc(cs1)C#Cc1ccc(F)c(c1)C(=O)Nc1cccnc1
Fc1ccc(cc1C(=O)Nc1ccc(cc1)C#N)C#Cc1ccccn1
Cc1nc(cs1)C#Cc1ccc(F)c(c1)C(=O)Nc1ccc(cc1)C#N
Fc1ccc(cc1C(=O)N1CCc2ccccc2C1)C#Cc1ccccn1
Cc1nc(cs1)C#Cc1ccc(F)c(c1)C(=O)N1CCc2ccccc2C1
CC1N(CCc2ccccc12)C(=O)c1cc(ccc1F)C#Cc1ccccn1
CC1N(CCc2ccccc12)C(=O)c1cc(ccc1F)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1ccc(F)cc1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)N1CCc2ccccc2C1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1ccc(cc1)C#N
CC1N(CCc2ccccc12)C(=O)c1cccc(c1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1cccnc1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1ccccc1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1cccc(F)c1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1cccc(c1)C#N
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Fc1cccc(OCc2cn3cc(cnc3n2)-c2cnc(F)c(F)c2)c1
CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r|
CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cc(F)ccc1F |r|
CCOC(=O)N1CC\C(=C/C#Cc2cccc(C)n2)C(C)(C)C1
CCOC(=O)N1CC\C(=C/C#Cc2cc(Cl)ccn2)C(C)(C)C1
CCOC(=O)N1CC\C(=C/C#Cc2cc(F)ccc2F)C(C)(C)C1
CCOC(=O)N1CC\C(=C/C#Cc2cccc(c2)C(F)(F)F)C(C)(C)C1
CCOC(=O)N1CC\C(=C/C#Cc2cc(OC)ccn2)C(C)(C)C1
CCOC(=O)N1CC\C(=C/C#Cc2cccc(c2)C#N)C(C)(C)C1
CCOC(=O)N1CC\C(=C/C#Cc2cccc(CC#N)c2)C(C)(C)C1
CCOC(=O)N1CC\C(=C/C#Cc2cc(ccn2)C#N)C(C)(C)C1
CCOC(=O)N1CC\C(=C/C#Cc2cc(F)cc(c2)C#N)C(C)(C)C1
CC1(C)CN(CC\C1=C/C#Cc1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
COC(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1
Cc1cccc(c1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1
Cc1cc(C(=O)N2CC\C(=C/C#Cc3cccc(CO)c3)C(C)(C)C2)c(C)o1
CCOC(=O)N1CC\C(=C/C#Cc2cccc(C)n2)C1(C)C
COC(=O)N1CC\C(=C/C#Cc2nccc(C)n2)C1(C)C
CCOC(=O)N1CC\C(=C/C#Cc2cc(ccn2)C#N)C1(C)C
CCOC(=O)N1CC\C(=C/C#Cc2cc(Cl)ccn2)C1(C)C
CCOC(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C1(C)C
CC1(C)CN(CC\C1=C/c1cc([nH]n1)-c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]C([#6])([#6])[#7]C([#6])([#6])[#6]-1
CC1(C)CN(CC\C1=C/C#Cc1cccc(c1)C#N)C(=O)c1cccc(Cl)c1
CC1(C)CN(CC\C1=C/C#Cc1cccc(CO)c1)C(=O)c1cccc(Cl)c1
CC1(C)CN(CC\C1=C/C#Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1
Cc1cccc(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1
COc1cc(OC)nc(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1
CCn1nc(C)c(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1
CC1(C)CN(CC\C1=C/C#Cc1cccc(O)c1)C(=O)c1cccc(Cl)c1
Cc1cc(C(=O)N2CC\C(=C/C#Cc3cc(F)cc(c3)C#N)C(C)(C)C2)c(C)o1
FC1(F)CN(CC\C1=C/C#Cc1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
CC1(C)CN(CC\C1=C/C#Cc1cccc(Cl)c1)C(=O)c1cccc(O)c1
COc1cccc(c1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1
COc1cccc(c1)C(=O)N1CC\C(=C/C#Cc2cccc(c2)C#N)C(C)(C)C1
Fc1c(Cl)cc(cc1-c1cc(ncn1)-c1ccc(cn1)C#N)C#N
OCc1cc(cc(c1)-c1cc(ncn1)-c1ccc(F)cn1)C#N
CNC(C)Cc1ccc2c(c1)OCO2
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
Cc1cc(ccc1[C@H](N)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2-c2ccccc2)C1)C(O)=O)C(O)=O
Cc1cccc(\C=C\c2ccccc2)n1
COCc1cccc(c1)C#Cc1cccc(C)n1
COCc1cncc(c1)C#Cc1csc(C)n1
N[C@H](C(O)=O)c1cc(=O)[nH]o1
N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
N[C@@H](C(O)=O)C12CC(C1)(C2)C(O)=O
FC(F)(F)c1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
Brc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
Clc1ccc(NC(=O)c2cccnc2)c(CN2C(=O)c3ccccc3C2=O)c1
Clc1ccc(NC(=O)c2ncccn2)c(CN2C(=O)c3ccccc3C2=O)c1
COc1cccc(c1)C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
Clc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
COc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
Clc1ccc(NC(=O)c2ccccc2)c(CN2C(=O)c3ccccc3C2=O)c1
Clc1ccc(NC(=O)C2CCCCC2)c(CN2C(=O)c3ccccc3C2=O)c1
Oc1cccnc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
[O-][N+](=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
Clc1ccc(NC(=O)c2cccnn2)c(CN2C(=O)c3ccccc3C2=O)c1
Clc1ccc(NC(=O)c2ccco2)c(CN2C(=O)c3ccccc3C2=O)c1
Clc1ccc(NC(=O)c2cncs2)c(CN2C(=O)c3ccccc3C2=O)c1
COC1CCCc2nc(ccc12)C#Cc1ccccc1 |w:2.1|
O=C1CCCc2nc(ccc12)C#Cc1ccccc1
CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1
OC1CCCc2nc(ccc12)C#Cc1ccccc1 |w:1.0|
O[C@H]1CCCc2nc(ccc12)C#Cc1ccccc1
CC1(C)CC(=O)c2ccc(nc2C1)C#Cc1ccccn1
O=C1CCCc2nc(ccc12)C#Cc1ccccn1
O[C@@H]1CCCc2nc(ccc12)C#Cc1ccccc1
COC(=O)c1ccc(nc1)C#Cc1ccccc1
C1CCc2nc(ccc2C1)C#Cc1ccccc1
N#Cc1cc(ccc1-c1ccccc1)C#Cc1ccccn1
Fc1cccc(c1)-c1ccc(cc1C#N)C#Cc1ccccn1
Fc1ccc(cc1)-c1ccc(cc1C#N)C#Cc1ccccn1
Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)c(c2)C#N)n1
Cc1cccc(NC(=O)c2cccc(c2)C#N)n1
Cc1cccc(NC(=O)c2ccc(c(c2)C#N)-c2cccc3ccccc23)n1
Cc1cccc(NC(=O)c2cccc(Cl)c2)n1
Cc1cccc(NC(=O)c2ccc(nc2)-c2ccccc2)n1
Cc1cccc(NC(=O)c2ccc(nc2)-c2cccnc2)n1
Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Cc1cccc(NC(=O)c2ccc(-c3cccnc3)c(c2)C#N)n1
Cc1cccc(n1)C#Cc1cccc(c1)C#N
Cc1cccc(NC(=O)c2ccc(c(Cl)c2)-c2cccnc2)n1
Cc1cccc(NC(=O)c2ccc(c(F)c2)-c2cccnc2)n1
Fc1cc(F)cc(c1)-c1ccnc(c1)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
Clc1ccccc1-n1nc(cc1NC(=O)c1ccc(c(c1)C#N)-c1cccc2ccccc12)-c1ccccc1
Clc1ccccc1-n1nc(cc1NC(=O)c1ccc(-c2ccccc2)c(c1)C#N)-c1ccccc1
CCCCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Fc1ccc(cc1)-c1ccc(cc1C#N)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
Fc1cccc(c1)-c1ccc(cc1C#N)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
Cc1ccc(NC(=O)c2cc(F)cc(c2)C#N)nc1
CCCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
CCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
O=C1NCCc2nc(COc3ccccc3)ccc12
Fc1cccc(OCc2ccc3C(=O)NCCc3n2)c1
Fc1cccc(OCc2ccc3C(=O)N(CC4CC4)CCc3n2)c1
Fc1cccc(OCc2ccc3C(=O)N(Cc4ccccc4)CCc3n2)c1
Fc1ccc(cc1)C(=O)N1CCc2ncc(OCc3ccccc3)cc2C1
Fc1cccc(COc2ccc3C(=O)N(Cc4ccccc4)CCc3n2)c1
O=C1N(Cc2ccccc2)CCc2nc(OCc3ccccc3)ccc12
CC1(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)COC1
Fc1cccc(COc2cnc3CCN(Cc3c2)C(=O)c2cccc(F)c2)c1
Fc1ccccc1COc1ccc2C(=O)NCCc2n1
CC(C)CN1CCc2nc(COc3cccc(F)c3)ccc2C1=O
O=C1NCCc2nc(OCc3ccccc3)ccc12
Fc1ccc(nc1)N1CCc2nc(COc3cccc(F)c3)ccc2C1=O
Fc1ccc(cc1)N1CCc2cc(COc3ccccc3)cnc2C1=O
Fc1cccc(COc2ccc3C(=O)N(CC4CCC4)CCc3n2)c1
Fc1ccc(cc1)N1CCc2cc(COc3ccccc3)ncc2C1=O
Fc1ccc(nc1)N1CCc2nc(OCc3cccc(F)c3)ccc2C1=O
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)ccc2C1=O
Fc1ccc(cc1)N1CCc2nc(OCc3cccc(F)c3)ccc2C1=O
Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)ccc2C1=O
Clc1cccc(COc2ccc3C(=O)NCCc3n2)c1
Fc1ccc(cc1)C(=O)N1CCc2ncc(COc3ccccc3)cc2C1
Fc1ccc(cc1)C(=O)N1CCc2ncc(COc3cccc(F)c3)cc2C1
Fc1ccc(OCc2cnc3CCN(Cc3c2)C(=O)c2ccc(F)cc2)cc1
N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N
CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N
N[C@@]1(C[C@@H](C1)n1oc(=O)[nH]c1=O)C(O)=O |wU:3.5,1.0,wD:1.13,(11.94,-4.18,;12.34,-5.68,;10.82,-5.93,;11.08,-7.43,;12.6,-7.19,;10.19,-8.69,;8.65,-8.69,;8.18,-10.16,;6.71,-10.65,;9.42,-11.07,;10.66,-10.16,;12.13,-10.63,;13.88,-5.68,;14.65,-7.01,;14.65,-4.32,)|
N[C@]1(C[C@@H](C1)n1oc(=O)[nH]c1=O)C(O)=O |wU:1.0,wD:3.5,1.13,(11.94,-4.18,;12.34,-5.68,;12.6,-7.19,;11.08,-7.43,;10.82,-5.93,;10.19,-8.69,;8.65,-8.69,;8.18,-10.16,;6.71,-10.65,;9.42,-11.07,;10.66,-10.16,;12.13,-10.63,;13.88,-5.68,;14.65,-7.01,;14.65,-4.32,)|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
N[C@@]1(CCc2cc(ccc12)C(O)=O)C(O)=O
NC(C(O)=O)C12CC(C1)(C2)C(O)=O
CCCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CC[C@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
C[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Cc1ccc(Nc2ncc(cc2Cl)C(=O)N2CCCCC2)cn1
CC[C@@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
Cc1ccc(cc1)-n1cnc2c3c(N)nc(C)nc3sc2c1=O
Clc1cccc(NC(=O)O\N=C(\C(Cn2ccnc2)C2CCCCC2)C2CCCCC2)c1
O=C(Nc1ccccc1)ON=C1CCCCC1Cn1ccnc1
Clc1cccc(NC(=O)O\N=C(\C(Cc2cccnc2)C2CCCCC2)C2CCCCC2)c1
Clc1cccc(NC(=O)O\N=C(\C(Cc2ccccn2)C2CCCCC2)C2CCCCC2)c1
Cc1cccc(NC(=O)O\N=C(\C(Cc2cccc(F)c2)C2CCCCC2)C2CCCCC2)c1
Clc1cccc(NC(=O)O\N=C(\C(Cc2ccccc2)C2CCCCC2)C2CCCCC2)c1
Fc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
Cc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
COc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
Cc1cn(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)cn1
Cc1cccc(NC(=O)O\N=C(\C(Cc2ccccc2)C2CCCCC2)C2CCCCC2)c1
Clc1cccc(NC(=O)O\N=C(\C(Cc2ccsc2)C2CCCCC2)C2CCCCC2)c1
Clc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
Fc1cccc(NC(=O)O\N=C(\C(Cn2ccnc2)C2CCCCC2)C2CCCCC2)c1
O=C(Nc1cccc(c1)C#N)O\N=C(\C(Cn1ccnc1)C1CCCCC1)C1CCCCC1
Fc1cccc(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)c1
FC(F)(F)c1cccc(NC(=O)O\N=C(\C(Cn2ccnc2)C2CCCCC2)C2CCCCC2)c1
O=C(Nc1ccccc1)O\N=C1/CCCCC1Cn1ccnc1
Clc1cccc(NC(=O)O\N=C(\C(Cc2ccco2)C2CCCCC2)C2CCCCC2)c1
Clc1cccc(NC(=O)O\N=C(\C(Cc2cc[nH]c2)C2CCCCC2)C2CCCCC2)c1
CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
O=C(C1CCC1)N1CCCC2(CCCCC2)C1
Cc1cc(C)c2c(N)c(oc2n1)C(=O)c1ccc(F)cc1
C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
N[C@H](CCc1ns[nH]c1=O)C(O)=O
N[C@@H](CCCC(O)=O)C(O)=O
Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O
N[C@H](Cc1cc(=O)[nH]o1)C(O)=O
N[C@@H](CCc1ns[nH]c1=O)C(O)=O
Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
Cc1nc(cs1)C#Cc1ccccn1
Cc1nc(cs1)C#Cc1ccccc1
c1csc(n1)C#Cc1ccccc1
c1nc(cs1)C#Cc1ccccc1
Cc1csc(n1)C#Cc1ccccc1
Cc1nc(cs1)C#Cc1ccncc1
C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N
N[C@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O
N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
C(CP(=O)(O)O)[C@@H](C(=O)O)N
CC1(C)CCn2nc(COc3ccccc3)cc2C1O
OC1(CCCn2nc(COc3ccccc3)cc12)C(F)(F)F
CC1(C)CCn2nc(COc3ccccc3)cc2C1NCc1ccccc1
COC1CCCn2nc(COc3ccccc3)cc12
C(NC1CCCn2nc(COc3ccccc3)cc12)c1cccnc1
C(NC1CCCn2nc(COc3ccccc3)cc12)c1ccncc1
C(OC1CCCn2nc(COc3ccccc3)cc12)C1CC1
CC1(C)CCn2nc(COc3ccccc3)cc2C1OCc1ccccc1
C(Oc1ccccc1)c1cc2C(CCCn2n1)N1CCOCC1
OC1CCCn2nc(COc3ccccc3)cc12
CCCCC1(O)CCCn2nc(COc3ccccc3)cc12
C(Oc1ccccc1)c1cc2C(CCCn2n1)NC1CC1
CC1CCn2nc(COc3ccccc3)cc2C1(C)O
OC1(CCCn2nc(COc3ccccc3)cc12)c1ccccc1
C(Oc1ccccc1)c1cc2C(CCCn2n1)OCc1ccccc1
CC(C)N1CCN(CC1)C1CCCn2nc(COc3ccccc3)cc12
COC1c2cc(COc3ccccc3)nn2CCC1(C)C
CN(Cc1ccccc1)C1CCCn2nc(COc3ccccc3)cc12
COc1ccccc1C1(C)CCn2nc(COc3ccccc3)cc2C1=O
C(NC1CCCn2nc(COc3ccccc3)cc12)c1ccccc1
Clc1ccc(CNC2CCCn3nc(COc4ccccc4)cc23)cc1
FC1(F)CCCn2nc(COc3ccccc3)cc12
C(NC1CCCn2nc(OCc3ccccc3)cc12)c1ccccc1
O=C1CCCc2nc(COc3ccccc3)sc12
Fc1ccc(CNC2CCCn3nc(COc4ccccc4)cc23)cc1
COc1ccc(CNC2CCCn3nc(COc4ccccc4)cc23)cc1
CC1CCn2nc(COc3ccccc3)cc2C1=O
Fc1cccc(CNC2CCCn3nc(COc4ccccc4)cc23)c1
C(Oc1ccccc1)c1cc2C(CCCn2n1)Nc1ccccc1
CC1(CCn2nc(COc3ccccc3)cc2C1=O)c1ccc(F)cc1
CC1(C)CCn2nc(OCc3ccccc3)cc2C1=O
O=C1CCCn2nc(COc3ccccc3)cc12
O=C1C(Cc2ccccc2)CCn2nc(COc3ccccc3)cc12
Fc1ccc(cc1)C1CCn2nc(OCc3ccccc3)cc2C1=O
CC1(C)CCn2nc(COc3ccccc3)cc2C1=O
O=C1c2cc(COc3ccccc3)nn2CCC11CCCC1
COc1ccccc1C1CCn2nc(COc3ccccc3)cc2C1=O
Fc1ccc(cc1)C1CCn2nc(COc3ccccc3)cc2C1=O
O=C1c2cc(COc3ccccc3)nn2CCC1(Cc1ccccc1)Cc1ccccc1
NC1CCCn2nc(COc3ccccc3)cc12
Nc1cc(NC(=O)c2cccc(Cl)c2)cc(Oc2cccnc2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cc(Cl)ccn3)n2)c1
Cc1ccnc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Fc1cncc(Oc2cncc(NC(=O)c3cccc(Cl)n3)n2)c1
Cc1cccc(n1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Cc1nc(cs1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Cc1csc(n1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Cc1cc(cs1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Brc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Cc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Cc1ccc(s1)C(=O)Nc1cncc(Oc2cncnc2)n1
Fc1cncc(Oc2cncc(NC(=O)c3cnccn3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3ccncn3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3ncccn3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cccnn3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cccnc3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3ccccn3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cscn3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3nccs3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cncs3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3ccsc3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cccs3)n2)c1
O=C(Nc1cncc(Oc2cncnc2)n1)c1cscn1
O=C(Nc1cncc(Oc2cncnc2)n1)c1ccsc1
O=C(Nc1cncc(Oc2cncnc2)n1)c1cccs1
Fc1cncc(Oc2cncc(NC(=O)c3cc(F)cc(c3)C#N)n2)c1
COc1cc(OC)cc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Cc1cc(C)cc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Fc1cncc(Oc2cncc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cc(F)cc(F)c3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cc(Cl)ccc3F)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cc(F)cc(Cl)c3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3ccc(F)c(Cl)c3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cccc(Cl)c3F)n2)c1
CN(C)c1cccc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
COc1cccc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Fc1cncc(Oc2cncc(NC(=O)c3cccc(c3)C#N)n2)c1
Cc1cccc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Fc1cccc(c1)C(=O)Nc1cncc(Oc2cncc(F)c2)n1
Fc1cncc(Oc2cncc(NC(=O)c3ccccc3)n2)c1
Fc1cncc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)c1
COc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Fc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
O=C(Nc1cncc(Oc2cncnc2)n1)c1ccccc1
Cc1nc(cs1)C#Cc1cncc(c1)-c1cccnc1
Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccn1
Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccc1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccncc1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccn1
Cc1nc(cs1)C#Cc1ccccc1C
Cc1nc(cs1)C#Cc1cccc(c1)-c1ccccc1
Cc1nc(cs1)C#Cc1ccc(cc1)-c1ccccc1
Cc1nc(cs1)C#Cc1cncc(c1)-c1ccncc1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1
Cc1nc(cs1)C#Cc1cccc(C)c1
Cc1nc(cs1)C#Cc1ccc(C)cc1
Cc1nc(cs1)C#Cc1ccccc1-c1ccccc1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1
Fc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
COc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
O=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1
Fc1ccc(cc1)-c1c(sc2ncccc12)C(=O)CCc1cccc(F)c1
Fc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
Fc1ccc(COC(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
Fc1ccc(CNC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
Fc1ccc(CC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
Fc1ccc(CC(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
N#Cc1cccc(c1)-n1ccc(n1)-c1ccccn1
N#Cc1cccc(c1)-c1ncn(n1)-c1ccccn1
N#Cc1cccc(c1)-n1ccc(c1)-c1ccccn1
N#Cc1cccc(c1)-n1cnc(n1)-c1ccccn1
N#Cc1cccc(c1)-c1ccn(c1)-c1ccccn1
N#Cc1cccc(c1)-n1cnc(c1)-c1ccccn1
N#Cc1cccc(c1)-n1cc(cn1)-c1ccccn1
N#Cc1cccc(c1)-c1ccn(n1)-c1ccccn1
N#Cc1cccc(c1)-c1cnn(n1)-c1ccccn1
N#Cc1cccc(c1)-n1cc(nn1)-c1ccccn1
N#Cc1cccc(c1)-n1ncc(n1)-c1ccccn1
N#Cc1cccc(c1)-c1nnn(n1)-c1ccccn1
N#Cc1cccc(c1)-c1cn(cn1)-c1ccccn1
N#Cc1cccc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
N#Cc1cccc(c1)-c1nc(no1)-c1ccccn1
N#Cc1cccc(c1)-c1cn(nn1)-c1ccccn1
N#Cc1cccc(c1)-c1cnn(c1)-c1ccccn1
Fc1cc(Sc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(Cc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(Nc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1ccc2ccncc12)-n1nnc(n1)-c1ccccn1
CN(c1cccnc1)c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
O(c1ccccc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
O(c1cccc(c1)-n1nnc(n1)-c1ccccn1)c1ccccn1
Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
O(c1cccnc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
O(c1ccc(cc1)-n1nnc(n1)-c1ccccn1)c1cccnc1
O(c1cccnc1)c1ccccc1-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cccnc1
Cc1cncc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccn1
Cc1ncccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cccc(c1)C#N
Cc1cnccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1C#N
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1
Nc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Nc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Cc1cccnc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Cc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Cc1ccc(cn1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccncc1
Cc1cccc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Nc1cccnc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Cc1ccc(cc1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ncc[nH]1)C#N
Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ncc[nH]1
N#Cc1cccc(c1)-n1nnc(n1)-c1c[nH]cn1
N#Cc1cccc(c1)-n1nnc(n1)-c1cscn1
N#Cc1cccc(c1)-n1nnc(n1)-c1nccs1
Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ncc[nH]1
N#Cc1cccc(c1)-n1nnc(n1)-c1cc[nH]n1
N#Cc1cccc(c1)-n1nnc(n1)-c1ncc[nH]1
Cc1c[nH]c(n1)-c1nnn(n1)-c1cc(F)cc(c1)C#N
Oc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
COc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
CCc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
COC(=O)c1cccc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
c1ccc(nc1)-c1nnn(n1)-c1cccc(c1)-c1cccnc1
Cc1cccc(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Fc1ccc(F)c(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
COc1ncc(cn1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
CCOc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Clc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
CC(=O)c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
CCc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
CCOc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
c1ccc(cc1)-c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cccc(Cl)c1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1F
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1OC(F)(F)F
Oc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
COC(=O)c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
COc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1conc1-c1ccccc1
Fc1cccc(F)c1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
c1ccc(cc1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
FC(F)(F)c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Cc1ccc(cc1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cncnc1
COc1ccc(C)cc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
C(Oc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1)c1ccccc1
Cc1cccc(C)c1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
[O-][N+](=O)c1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
COc1ncc(cn1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
c1ccc(nc1)-c1nnn(n1)-c1cccc(c1)-c1ccncc1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1c(F)cccc1F
O(c1ccccc1)c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
FC(F)(F)Oc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Cc1noc(C)c1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
COC(=O)c1cccc(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Cc1cccc(C)c1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1ccc(cc1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
c1coc(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Cc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
c1c(noc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1
Fc1cccc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
NC(=O)c1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1Oc1ccccc1
Clc1cccc(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Clc1ccc(cc1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1Cl
Cc1noc(C)c1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccco1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1-c1ccccc1
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1C=O
Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccc(Cl)cc1
O=Cc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cnccn1
Clc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Fc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccc1
Cc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccs1
FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Cc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
Clc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Fc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccn1
Fc1ccc(cc1F)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Clc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Fc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Oc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Cc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccsc1
Cc1cccc(n1)C#Cc1cccc(OC(=O)c2cccc(I)c2)c1
Cc1cccc(n1)C#Cc1cccc(c1)-c1cccs1
Cc1cccc(n1)C#Cc1cccc(c1)-c1ccccc1
Cc1cccc(n1)C#Cc1cncc(c1)-c1cccs1
Cc1cccc(n1)C#Cc1cncc(c1)-c1cccc(C)n1
Cc1cccc(n1)C#Cc1cccc(c1)[N+]([O-])=O
Cc1cccc(n1)C#Cc1cccc(OCCCc2ccccc2)c1
Cc1cccc(n1)C#Cc1cncc(c1)-c1ccco1
Cc1cccc(n1)C#Cc1cccc(OC(=O)CCCc2ccccc2)c1
Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C#Cc1cccc(C)n1
COc1cccc(c1)-c1cccc(c1)C#Cc1cccc(C)n1
COc1cccc(c1)-c1cncc(c1)C#Cc1cccc(C)n1
CC(=O)c1cccc(c1)C#Cc1cccc(C)n1
Cc1cccc(n1)C#Cc1cncc(c1)-c1ccccc1
Cc1cccc(n1)C#Cc1cccc(OCc2ccccc2)c1
Cc1cccc(n1)C#Cc1cccc(OS(C)(=O)=O)c1
COC(=O)c1cccc(c1)C#Cc1cccc(C)n1
Cc1cccc(n1)C#Cc1cccc(OC(=O)c2ccccc2)c1
Cc1cccc(n1)C#Cc1cccc(OCCCCc2ccccc2)c1
Cc1cccc(n1)C#Cc1cccc(c1)-c1ccco1
Cc1cccc(n1)C#Cc1cccc(OCC2CC2)c1
Cc1cccc(n1)C#Cc1cccc(OC(=O)Cc2ccccc2)c1
Cc1cccc(n1)C#Cc1cccc(OC(=O)CCCBr)c1
COc1cccc(COc2cccc(c2)C#Cc2cccc(C)n2)c1
Cc1cccc(n1)C#Cc2cccc(c2)OC
Cc1cccc(n1)C#Cc1cccc(OCCc2ccc(F)cc2)c1
COc1cccc(c1)C(=O)Oc1cccc(c1)C#Cc1cccc(C)n1
Cc1cccc(n1)C#Cc1cccc(OC(=O)CCc2ccccc2)c1
Cc1cccc(n1)C#Cc1cccc(OCCc2ccccc2)c1
Cc1cccc(n1)C#Cc1cccc(OCc2cccc(I)c2)c1
Cc1cccc(n1)C#Cc1cccc(N)c1
Cc1cccc(n1)C#Cc1cccc(OCC=C)c1
COC(=O)COc1cccc(c1)C#Cc1cccc(C)n1
Cc1cccc(n1)C#Cc1cccc(OC(=O)c2ccco2)c1
Nc1ncc(Cl)nc1C(=O)Nc1ccccn1
Cc1cccc(NC(=O)c2cccc(C)n2)n1
Cc1cncc(n1)C(=O)Nc1ccccn1
CNc1ncc(Cl)nc1C(=O)Nc1ccccn1
Cc1ccc(O)c(c1)C(=O)Nc1cccc(C)n1
Clc1cncc(n1)C(=O)Nc1ccccn1
Cc1cccc(NC(=O)c2nc(C)ccc2O)n1
Cc1cccc(NC(=O)c2cccc(Br)n2)n1
Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
Cc1cccc(NC(=O)c2nc(C)ccc2Nc2cccnc2)n1
Cc1cccc(NC(=O)c2nc(C)cnc2N)n1
Nc1ncc(Br)nc1C(=O)Nc1ccccn1
CN(C)c1ncc(nc1Cl)C(=O)Nc1ccccn1
CN(C)c1cnc(C(=O)Nc2ccccn2)c(N)n1
Nc1nc(N2CCCCC2)c(Cl)nc1C(=O)Nc1ccccn1
CN(C)c1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
CC(C)Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
Cc1cccc(NC(=O)c2nc(C)ccc2N)n1
Nc1nccnc1C(=O)Nc1ccccn1
Cc1cnc(N)c(n1)C(=O)Nc1ccccn1
Cc1cccc(NC(=O)c2nc(Cl)cnc2N)n1
Cc1cccc(OCc2cn3c(CCN(C3=O)c3ccc(F)cc3)n2)c1
Fc1ccc(OCc2cn3c(CCN(C3=O)c3ccc(F)cc3)n2)cc1
Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)cn2C1=O
Cc1cc(ncc1F)N1CCc2nc(COc3ccccc3)cn2C1=O
Cc1nc(ccc1F)N1CCc2nc(COc3ccccc3)cn2C1=O
Cc1ccc(nc1)N1CCc2nc(COc3ccccc3)cn2C1=O
Fc1ccc(nc1)N1CCc2nc(COc3ccccc3)cn2C1=O
Cc1cc(ccc1F)N1CCc2nc(COc3ccccc3)cn2C1=O
Fc1cccc(c1)N1CCc2nc(COc3ccccc3)cn2C1=O
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
Cc1cc2nc(COc3ccccc3)cn2c(=O)n1-c1ccc(F)cc1
Fc1ccc(cc1)-n1ccc2nc(COc3cccnc3)cn2c1=O
Fc1ccc(cc1)-n1ccc2nc(COc3ccccn3)cn2c1=O
Cc1cccc(OCc2cn3c(ccn(-c4ccc(F)cc4)c3=O)n2)c1
Fc1ccc(OCc2cn3c(ccn(-c4ccc(F)cc4)c3=O)n2)cc1
Fc1ccc(cc1)-n1ccc2nc(COc3cccc(F)c3)cn2c1=O
Cc1cc(ncc1F)-n1ccc2nc(COc3ccccc3)cn2c1=O
Cc1nc(ccc1F)-n1ccc2nc(COc3ccccc3)cn2c1=O
CN(C)c1cccc(n1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Cc1ccnc(c1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Cc1cccc(n1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Cc1ccc(nc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Fc1ccc(nc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Fc1ccc(cc1F)-n1ccc2nc(COc3ccccc3)cn2c1=O
Fc1cccc(c1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
O=c1n(Cc2ccccc2)ccc2nc(COc3ccccc3)cn12
O=c1n(CC2CC2)ccc2nc(COc3ccccc3)cn12
Cn1ccc2nc(COc3ccccc3)cn2c1=O
O=c1[nH]ccc2nc(COc3ccccc3)cn12
Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)c(Cl)n2c1=O
Cc1cn(-c2ccc(F)cc2)c(=O)n2cc(COc3ccccc3)nc12
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)c(Cl)n2C1=O
Cc1c(COc2ccccc2)nc2CCN(C(=O)n12)c1ccc(F)cc1
Cc1ccc(cc1C)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1)C(F)(F)F
Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1)C#N
Fc1cc(F)cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
COc1ccc(cc1F)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Cc1ccc(cc1F)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Cc1ccc(cc1Cl)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1Cl
CN(C)c1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
CC(C)c1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
FC(F)(F)c1cccc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
FC(F)(F)c1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(cc1)C#N
COc1cccc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
COc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Cc1cccc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Cc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Fc1cccc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Fc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(Cl)c1
Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccccc1
Clc1cccc(NC(=O)O\N=C2/CCCCC2Cc2cccs2)c1
Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccc(Br)o1
Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1cnccc1F)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)|
Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1cnccc1Cl)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)|
Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccccc1F)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)|
Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1cccc(Cl)c1)C#N
O=S(=O)(c1sc2ncccc2c1-c1cccc(c1)C#N)c1cccc(c1)C#N
Cc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Clc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Cc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
Fc1ccccc1-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1 |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.07,5.14,;7.25,2.74,;6.49,1.4,)|
Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccccc1Cl |(7.07,5.14,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;7.25,2.74,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,)|
Fc1cccc(c1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Fc1ccc(cc1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Fc1ccc(cc1)-c1c(sc2nc(Cl)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Oc1ccc2c(c(sc2n1)S(=O)(=O)c1cccc(c1)C#N)-c1ccc(Cl)cc1
Fc1ccc2c(c(sc2n1)S(=O)(=O)c1cccc(c1)C#N)-c1ccc(Cl)cc1
Nc1ccc2c(c(sc2n1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
COc1ccc2c(c(sc2n1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Oc1ccc2c(c(sc2n1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1c(sc2nc(Cl)ccc12)S(=O)(=O)c1ccc(Cl)cc1
Fc1ccc2c(c(sc2n1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Nc1cnc2sc(c(-c3c(F)cncc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.72,-3.12,;4.61,-2.27,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;-.05,-3.42,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
Nc1cnc2sc(c(-c3ccncc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
Nc1cnc2sc(c(-c3ccncc3Cl)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
Nc1cnc2sc(c(-c3cnccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
Nc1cnc2sc(c(-c3cnccc3Cl)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
Nc1cnc2sc(c(-c3cc(F)cc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Nc1cnc2sc(c(-c3ccc(F)c(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Nc1cnc2sc(c(-c3cccc(Cl)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cccc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)|
Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cccc(c1)C#N
Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cccc(c1)C#N
Nc1cnc2sc(c(-c3cccc(Cl)c3)c2c1)S(=O)(=O)c1cccc(c1)C#N
Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1cccc(c1)C#N
Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1ccc(Cl)cc1 |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.07,5.14,;7.25,2.74,;6.49,1.4,)|
Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1ccc(Cl)cc1
CS(=O)(=O)Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1ccc(Cl)cc1
Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)-c1c(sc2ncc(Cl)cc12)S(=O)(=O)c1ccc(Cl)cc1
Fc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1ccc(Cl)cc1
CN(C)c1ccnc2sc(c(-c3ccc(Cl)cc3)c12)S(=O)(=O)c1ccc(Cl)cc1
Nc1ccnc2sc(c(-c3ccc(Cl)cc3)c12)S(=O)(=O)c1ccc(Cl)cc1
Fc1ccnc2sc(c(-c3ccc(Cl)cc3)c12)S(=O)(=O)c1ccc(Cl)cc1
Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccoc1)C#N
COc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Cc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Clc1ccccc1-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)|
Fc1ccncc1-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1 |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.07,5.14,;7.25,2.74,;6.49,1.4,)|
Fc1ccc(-c2c(sc3ncccc23)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 |(3.28,-6.88,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.07,5.14,;7.25,2.74,;6.49,1.4,;3.72,-3.12,;4.61,-2.27,;4.09,-4.62,)|
Clc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1cccc(Cl)c1
Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccnc1
Cc1cc(C)cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1
O=C(Nc1nc2ccccc2[nH]1)\C=C\c1ccncc1
COc1cc(ccc1S(N)(=O)=O)C(=O)Nc1nc2ccccc2[nH]1
Clc1cc(Cl)cc(c1)C(=O)Nc1nc2ccccc2[nH]1
Fc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
Clc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
Clc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
COc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
COc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Clc1ccccc1C(=O)Nc1nc2ccccc2[nH]1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
FC(F)(F)c1ccc(c(c1)C(=O)Nc1nc2ccccc2[nH]1)C(F)(F)F
Clc1ccc(Cl)c(c1)C(=O)Nc1nc2ccccc2[nH]1
O=C(Nc1nc2ccccc2[nH]1)c1ccncc1
FC(F)(F)c1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
FC(F)(F)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Clc1cccc(c1)C(=O)Sc1nc2ccccc2[nH]1
CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1
FC(F)(F)c1ccccc1C(=O)Nc1nc2ccccc2[nH]1
Fc1ccccc1C(=O)Nc1nc2ccccc2[nH]1
CN(C)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
O=C(Nc1nc2ccccc2[nH]1)C1CCC1
O=C(Nc1nc2ccccc2[nH]1)c1ccccc1
Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2[nH]1
Cc1cccc(c1)C#Cc1ncn-2c1COc1ccccc-21
Cc1ccccc1C#Cc1ncn-2c1COc1ccccc-21
C1Oc2ccccc2-n2cnc(C#Cc3ccccc3)c12
Cc1ccc(cc1)C#Cc1ncn-2c1COc1ccccc-21
Cc1cccc(n1)C#Cc1ncn-2c1COc1ccccc-21
C1Oc2ccccc2-n2cnc(C#Cc3cccnc3)c12
Cc1cc(ccn1)C#Cc1ncn-2c1COc1ccccc-21
Cc1nc(C#Cc2ccccc2)c2COc3ccccc3-n12
Cc1nc(cn1-c1ccccc1)C#Cc1ccnc(C)c1
Cc1nc(cn1-c1cccc(c1)C#N)C#Cc1ccnc(C)c1
Cc1nc(cn1-c1ccc(cc1)C#N)C#Cc1ccnc(C)c1
Cc1nc(cn1-c1cccc(c1)S(C)(=O)=O)C#Cc1ccnc(C)c1
Cc1nc(cn1-c1ccc(cc1)S(C)(=O)=O)C#Cc1ccnc(C)c1
Cc1nc(cn1-c1cccc(F)c1)C#Cc1ccnc(C)c1
Cc1nc(cn1-c1ccc(F)cc1F)C#Cc1ccnc(C)c1
Cc1nc(cn1-c1ccc(F)cc1)C#Cc1ccnc(C)c1
CN1Cc2c(ncn2-c2cccc(Cl)c2C1=O)C#Cc1ccccc1
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F |(1.89,3.88,;2.81,3.06,;4.31,3.38,;5.09,2.05,;6.62,1.89,;8.15,1.73,;9.68,1.58,;10.31,.17,;11.84,.01,;12.74,1.26,;12.12,2.66,;12.84,3.66,;10.58,2.82,;4.06,.91,;4.31,-.3,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;1.33,-.77,;2.4,-1.39,)|
CN1Cc2c(ncn2-c2ccc(F)cc2C1=O)C#Cc1ccccc1
Fc1ccc-2c(c1)-c1ncnn1Cc1c(ncn-21)C#Cc1ccccc1
CC(=O)N1CCCn2nc(COc3ccccc3)cc12
O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccc1
O=C(Cc1ccccc1)N1CCCn2nc(COc3ccccc3)cc12
O=C(C1CCCC1)N1CCCn2nc(COc3ccccc3)cc12
O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc12
O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc12
CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
CCC(=O)N1CCCn2nc(COc3ccccc3)cc12
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccc1C#N
CCCc1cccnc1Nc1cccc(C)n1
CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccnc1
CCOc1cc(cnc1Nc1cccc(C)n1)-c1cnccc1C
CCOc1cc(cnc1Nc1cccc(C)n1)-c1cncnc1
CCOc1c(C)ccnc1Nc1cccc(C)n1
CCOc1cccnc1Nc1cccc(n1)C(=O)OC
CCOc1cccnc1Nc1cccc(C)n1
CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccnc1C#N
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccc(C)cc1
CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccc(F)c1
CCOc1nccnc1Nc1cccc(C)n1
CCOc1cc(Br)cnc1Nc1cccc(C)n1
CCNc1cccnc1Nc1cccc(C)n1
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccn1
CCCOc1cccnc1Nc1cccc(C)n1
CSc1cccnc1Nc1cccc(C)n1
CCOc1cc(Oc2cccnc2)cnc1Nc1cccc(C)n1
CCOc1cccnc1Nc1cccc(OC)n1
CCOc1cccnc1Nc1cccc(n1)C(F)(F)F
CCOc1cc(cnc1Nc1cccc(C)n1)C#N
Cc1cccc(Nc2ncccc2OCc2ccccc2)n1
CCOc1cccnc1Nc1ccccn1
COc1cccnc1Nc1cccc(C)n1
CC(C)Oc1cccnc1Nc1cccc(C)n1
CCOc1cc(C)cnc1Nc1cccc(C)n1
CCOc1cc(Cl)cnc1Nc1cccc(C)n1
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccc1
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccsn1
CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(20.81,-1.24,;19.47,-.49,;18.14,-1.27,;16.81,-.5,;15.48,-1.27,;14.15,-.5,;12.82,-1.27,;12.82,-2.81,;14.15,-3.58,;15.48,-2.81,;16.81,-3.58,;18.14,-2.81,;19.48,-3.58,;11.48,-.5,;11.48,1.04,;10.02,-1.13,;8.73,-.29,;7.33,-1.17,;7.33,-2.71,;8.69,-3.48,;10.02,-2.69,;6,-3.48,;4.67,-2.71,)|
CC(=O)N1CCCn2nc(CNc3ccccc3)cc12
CN(Cc1cc2N(CCCn2n1)C(C)=O)c1ccccc1
CC(=O)N1CCCn2nc(CN3CCCc4ccccc34)cc12
CC(=O)N1CCCn2nc(CN3CCOc4ccccc34)cc12
CC(=O)N1CCCn2nc(COc3ccc(F)cc3)cc12
CC(=O)N1CCCn2nc(COc3cccc(F)c3)cc12
CC(=O)N1CCCn2nc(COc3ccccc3F)cc12
O=C(N1CCCn2nc(COc3ccccc3)cc12)c1nccs1
O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccno1
O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccncc1
O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccn1
Clc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Fc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Fc1cccc(c1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Fc1ccccc1C(=O)N1CCCn2nc(COc3ccccc3)cc12
CC(=O)N1CCCn2nc(COc3ccccc3)c(F)c12
CC(=O)N1CCCc2nc(COc3ccccc3)oc12
CC(=O)N1CCCc2nc(COc3ccccc3)sc12
CC(=O)N1CCCc2nc(COc3ccccc3)cn12
CC(=O)N1CCCn2nc(COc3ccccc3)nc12
CC(=O)N1C(CCn2nc(COc3ccccc3)cc12)c1ccccc1
CC1CCn2nc(COc3ccccc3)cc2N1C(C)=O
CC(=O)N1CCCn2nc(CN3CCc4ccccc34)cc12
CN(Cc1cc2N(CCCn2n1)C(C)=O)C1C2CC1C2 |(4.32,2.44,;4.95,1.38,;4.2,.04,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.76,-1.24,;-1.02,3.1,;.05,3.71,;-2.09,3.72,;6.5,1.41,;7.59,2.57,;8.26,1.4,;7.59,.28,;8.74,1.4,)|
CC(=O)N1CCCn2nc(CS(=O)(=O)c3ccccc3)cc12
CC(=O)N1CCCn2nc(C[S+]([O-])c3ccccc3)cc12
CC(=O)N1CCCn2nc(CSc3ccccc3)cc12
CC(=O)N1CCCn2nc(COc3ccncc3)cc12
CC(=O)N1CCCn2nc(COc3cccnc3)cc12
CC(=O)N1CCCn2nc(COc3cc(F)cc(c3)C#N)cc12
Brc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
C1CCC(CC1)C#Cc1ccccn1
C1CC(Sc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11|
O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:13|
Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1 |c:11|
C1CC(Sc2ccc3ccccc3c2)C=C(C1)C#Cc1ccccn1 |c:16|
C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1 |c:2|
Cc1cccc(c1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1 |c:2|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:10|
C1CC(Oc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|
C1CC=C(C1)C#Cc1ccccn1 |c:2|
C1CC(=CCN1)C#Cc1ccccn1 |c:2|
C1CCC(=CC1)C#Cc1ccccn1 |c:3|
C1CC(Oc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11|
O=C(OCc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|
O=S(=O)(Cc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
C1CCC(C1)NC1CCC(=CC1)C#Cc1ccccn1 |c:10|
COc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
N#Cc1cc(OCc2ccccc2)cc(c1)-n1nnc(n1)-c1ccccn1
Clc1ccc(cc1-n1nnc(n1)-c1ccccn1)C#N
Nc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
N#Cc1cc(OCC2CC2)cc(c1)-n1nnc(n1)-c1ccccn1
Clc1ccc(cc1C#N)-n1nnc(n1)-c1ccccn1
N#Cc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
Fc1cc(cc(c1)-n1ccc(c1)-c1ccccn1)C#N
Clc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
[O-][N+](=O)c1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
Clc1cccc(c1Cl)-n1nnc(n1)-c1ccccn1
Cc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
Oc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
N#Cc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
CCc1ccc(cc1)-n1cnc2c(sc3cncc(N(C)C)c23)c1=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#N)c23)c1=O
CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(C4CCCCCCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(C4CCC4)c3=O)c12
C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC4CC4)c23)c1=O
CN(C)c1cncc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(c3=O)C34CC5CC(CC(C5)C3)C4)c12 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
CN(C)c1ccnc2sc3c(ncn(C4CCCCC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
CCCCc1nc2c(sc3nccc(N(C)C)c23)c(=O)n1-c1ccc(CC)cc1
CC1CCC(CC1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O |(5.87,-19.78,;4.34,-19.93,;3.7,-21.33,;2.18,-21.48,;1.29,-20.23,;1.91,-18.82,;3.44,-18.68,;-.24,-20.38,;-1.15,-19.13,;-2.7,-19.28,;-3.32,-20.7,;-2.41,-21.95,;-3.32,-23.19,;-4.79,-22.72,;-6.12,-23.49,;-7.45,-22.72,;-7.45,-21.18,;-6.12,-20.41,;-6.13,-18.87,;-4.8,-18.1,;-7.46,-18.11,;-4.79,-21.17,;-.88,-21.79,;.02,-23.04,)|
CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
CCC(CC)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(-c4ccccc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCOC)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CCCCC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N4CCC4)c23)c1=O
COc1ccc(cn1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c12
CC(C)c1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(C4CCCC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3cccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(nnn(C4CCCCCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(C)(C)C)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc5cn[nH]c5c4)c3=O)c12
CCc1ccc(cc1)-n1c(C)nc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
CCN(C)c1ccnc2sc3c(ncn(-c4ccc(CC)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(oc3nccc(N(C)C)c23)c1=O
CC1CCCC(C1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(C4CC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O
CN(C)c1ccnc2sc3c(ncn(CC4CCCCC4)c3=O)c12
CC1CCCCC1n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CCc1ccc(cc1)-n1c(CC)nc2c(sc3nccc(N(C)C)c23)c1=O
CCCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CC1CCC(CC1)n1cnc2c(oc3nccc(N(C)C)c23)c1=O |(26.6,2.2,;25.06,2.14,;24.34,.78,;22.81,.72,;21.99,2.03,;22.7,3.39,;24.24,3.44,;20.45,1.98,;19.53,3.22,;17.99,3.06,;17.37,1.64,;18.29,.39,;17.37,-.87,;15.9,-.39,;14.57,-1.16,;13.23,-.39,;13.24,1.15,;14.56,1.92,;14.56,3.46,;15.89,4.23,;13.22,4.22,;15.9,1.16,;19.82,.55,;20.73,-.69,)|
CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(CC4CCCC4)c3=O)c12
Oc1nc(NC(=O)Nc2cccc(Cl)c2)n2CCCc12
CN1CCCC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
CN1CCSC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
Cc1cccc(NC(=O)Nc2nc(O)c(-c3ccccc3)n2C)c1
Cc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
Cn1cc(O)nc1NC(=O)Nc1cc(Cl)cc(Cl)c1
CCCCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
COC(=O)c1cccc(NC(=O)Nc2nc(O)cn2C)c1
CCCCCCNC(=O)Nc1nc(O)cn1C
Cn1cc(O)nc1NC(=O)Nc1ccccc1
Oc1nc(NC(=O)Nc2ccc(Cl)cc2)n2CCCc12
Cn1cc(O)nc1NC(=O)Nc1cccc(c1)C#N
Cn1ccnc1NC(=O)Nc1cccc(Cl)c1
CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Cc1ccc(NC(=O)Nc2nc(O)c3CCCn23)cc1Cl
Cc1cccnc1NC(=O)Nc1nc(O)cn1C
Cc1ccc(C)c(NC(=O)Nc2nc(O)c3CCCn23)c1
Cc1cccc(NC(=O)Nc2nc(O)c3CCCn23)c1C
Cc1ccccc1NC(=O)Nc1nc(O)c2CCCn12
Oc1nc(NC(=O)Nc2ccccc2)n2CCCc12
Cn1c(O)cnc1NC(=O)Nc1cccc(Cl)c1
COc1cccc(NC(=O)Nc2nc(O)cn2C)c1
CN1CCCC1=NC(=O)Nc1c(C)cccc1C |w:6.7|
Cc1ccc(NC(=O)Nc2nc(O)cn2C)nc1
Cn1cc(O)nc1NC(=O)c1cccc(Cl)c1
Cn1cc(O)nc1NC(=O)Nc1cccc(Br)c1
Cc1cccc(NC(=O)Nc2nc(O)cn2C)c1
Cn1cc(O)nc1NC(=O)Nc1cccs1
Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1ccccn1 |r|
[O-][N+](=O)c1ccc(cc1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 |r|
[O-][N+](=O)c1cccc(c1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1cccc(Cl)c1 |r|
Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1cccc(F)c1 |r|
Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 |r|
COc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 |r|
Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl |r|
Fc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 |r|
Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 |r|
Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1 |r|
COc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl |r|
Fc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)cc1 |r|
Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1F |r|
COc1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1C#N)C(=O)c1cc(n[nH]1)C(C)C
COc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1ccc(F)cc1)c2C#N
COc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1cccc(F)c1)c2C#N
COCC(=O)N(C)c1cc(C)cc(OCc2cccc(Cl)c2)c1
Cc1ccc(C)n1-c1cc(OCc2cccc(Cl)c2)cc(C)n1
Cc1ccc(C)n1-c1cc(C)cc(OCc2cccc(Cl)c2)c1
Clc1cc(COc2cc(cc(Cl)n2)C#N)ccn1
Cc1cc(OCc2cccc(Cl)c2)cc(c1)N1C(=O)c2ccccc2C1=O
Cc1cc(COc2cc(cc(Cl)n2)C#N)ccn1
Cc1cc(OCc2cccc(Cl)c2)cc(c1)-c1cccnc1
Cc1ccc(C)n1-c1cc(C)nc(OCc2cccc(Cl)c2)c1
Cc1nccn1-c1cc(C)cc(OCc2cccc(Cl)c2)c1
Cc1ccc(COc2cc(C)cc(c2)N2C(=O)c3ccccc3C2=O)cc1
Cc1ccc(C)n1-c1cc(C)cc(OCc2cccc(Cl)c2)n1
Cc1cc(cc(OCc2cccc(Cl)c2)n1)C#N
COc1ccc(COc2cc(C)cc(c2)N2C(=O)c3ccccc3C2=O)cc1
Clc1cccc(COc2cc(cc(Cl)n2)C#N)c1
Cc1cc(OCc2cccc(c2)C#N)cc(c1)N1C(=O)c2ccccc2C1=O
CN(C(=O)C(F)(F)F)c1cc(C)nc(OCc2cccc(Cl)c2)c1
CCCCCOC(=O)N(C)c1cc(C)cc(OCc2cccc(Cl)c2)c1
CN(c1cncnc1)c1cc(C)nc(OCc2cccc(Cl)c2)c1
Cc1nc(cn1-c1cc(C)nc(OCc2cccc(Cl)c2)c1)C(N)=O
Cc1cc(OCc2ccccc2)cc(c1)N1C(=O)c2ccccc2C1=O
CN(Cc1cccnc1)C(=O)c1cc(C)nc(OCc2cccc(Cl)c2)c1
O=C1N(C(=O)c2ccccc12)c1cccc(OCc2ccccc2)c1
Cc1cc(cc(OCc2cccc(Cl)c2)n1)-c1ocnc1CO
CN(C(=O)Cc1c(F)cccc1F)c1cc(C)cc(OCc2cccc(Cl)c2)c1
Cc1cc(OCc2ccc(F)cc2)cc(c1)N1C(=O)c2ccccc2C1=O
Cc1cc(OCc2ccc(Cl)cc2)cc(c1)N1C(=O)c2ccccc2C1=O
Cc1nc(cs1)C#Cc1cnccn1
C(Nc1nc(cs1)C#Cc1cccnc1)c1ccccc1
COc1ccc(cc1)-c1cncc(c1)C#Cc1csc(C)n1
COc1cccc(c1)C#Cc1csc(C)n1
COc1ncccc1C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc(OS(C)(=O)=O)nc1
Cc1nc(cs1)C#Cc1ccc(C=C)nc1
Cc1nc(cs1)C#Cc1cccc(c1)C#N
Cc1nc(cs1)C#Cc1cccnc1Cl
Fc1cccc(c1)C#Cc1csc(n1)-c1cc(F)cc(F)c1
Cc1nc(cs1)C#Cc1cncc(c1)C#CCO
COc1ccccc1C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1cnc2ccccc2c1
Cc1nc(cs1)C#Cc1cccc(F)c1
Cc1nc(cs1)C(=O)Nc1cccc(F)c1
Cc1nc(co1)C#Cc1cccc(F)c1
Cc1nc(cs1)C#Cc1ccc(F)nc1
Cc1nc(cs1)C#Cc1cccc(c1)C(F)(F)F
Nc1nc(cs1)C#Cc1cccnc1
Cc1nc(cs1)C#Cc1ccc2[nH]ccc2c1
COc1ccc(cn1)C#Cc1csc(C)n1
Cc1nc(C#Cc2cccnc2)c(s1)-c1ccccc1
Cc1nc(\C=C\c2cccnc2)cs1
Cc1nc(cs1)C#Cc1ccc2nccnc2c1
Cc1nc(cs1)C#Cc1ccc(Cl)nc1
Cc1nc(co1)C#Cc1cccnc1
Cc1nc(cs1)C#Cc1cc(F)cc(F)c1
Cc1nc(cs1)C#Cc1cccnc1C#C
Cc1nc(cs1)C#Cc1cccc(OC(F)(F)F)c1
Cc1nc(cs1)C#Cc1ccc(F)cc1
CC(=O)Nc1cccc(c1)C#Cc1csc(C)n1
Cc1nc(cs1)C#Cc1ccc(nc1)C#C
Cc1nc(cs1)C#Cc1cccs1
Cc1nc(cs1)C#Cc1ccc(F)cn1
Nc1nc(cs1)C#Cc1cccc(F)c1
Cc1nc(cs1)C#Cc1cncnc1
Cc1nc(cs1)C#Cc1cccc(c1)C(N)=O
COC(=O)Nc1nc(cs1)C#Cc1cccnc1
Fc1cccc(c1)C#Cc1csc(n1)C#C
Cc1nc(cs1)C#Cc1ccccc1F
Fc1cccc(c1)C#Cc1csc(Br)n1
Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)cc1
Cc1nc(cs1)C#Cc1cccc(Cl)c1
Cc1nc(cs1)C#Cc1cncc(Br)c1
CC(=O)Nc1nc(cs1)C#Cc1cccnc1
Cc1nc(cs1)C(=O)Nc1cccnc1
Cc1nc(cs1)C#Cc1cccnc1OS(C)(=O)=O
Cc1nc(cs1)C#Cc1cccc(O)c1
Cc1nc(cs1)C#Cc1cncc(c1)C#C
CCc1sc(C)nc1C#Cc1cccnc1
Cc1nc(C#Cc2cccnc2)c(C)s1
Cc1nc(cs1)C#Cc1cncc(c1)-c1ccc(F)cc1
Cc1nc(cs1)C#Cc1ccsc1
OCC#Cc1nc(cs1)C#Cc1cccc(F)c1
Fc1ccc(NC(=O)Nc2nc(cs2)C#Cc2cccnc2)c(F)c1
CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12
OC(c1ccc(Cl)cc1)c1ccnc(n1)-c1ccccn1
Clc1ccc(Cc2ccnc(n2)-c2ccccn2)cc1
Clc1ccc(Sc2ccnc(n2)-c2ccncc2)cc1
Clc1ccc(Oc2ccnc(n2)-c2ccccn2)cc1
Clc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1Cl
Clc1ccc(Sc2ccnc(n2)-c2cccnc2)cc1
Clc1ccc(Sc2ccnc(c2)-c2ccccn2)cc1Cl
Cc1cc(Sc2ccc(Cl)cc2)nc(n1)-c1ccccn1
FC(F)(F)c1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
Cc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
FC(F)(F)c1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Brc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Clc1ccc(Nc2ccnc(n2)-c2ccccn2)cc1
Cc1cccc(n1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
CC(=O)N(c1ccc(Cl)cc1)c1ccnc(n1)-c1ccccn1
Fc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1F
Fc1ccc(nc1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
N[C@H](CCC(O)=O)C(O)=O
O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccco1
Cc1cccc(c1)C(=O)Nc1cccc(C)n1
COc1cccc(c1)C(=O)Nc1cccc(C)n1
Cc1csc(NC(=O)c2cccc(Cl)c2)n1
Clc1cccc(c1)C(=O)Nc1cccc(Cl)n1
Cc1cccc(NC(=O)c2cccc3ccccc23)n1
Cc1cccc(NC(=O)c2cccc(Br)c2)n1
Cc1cccc(NC(=O)c2cccc(I)c2)n1
Cc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)n1
Cc1cccc(NC(=O)c2cccc(OS(C)(=O)=O)c2)n1
O=C(Nc1ccccn1)c1ccccc1
COc1cccc(c1)C(=O)Nc1nc(C)cs1
Cc1cccc(NC(=O)c2cccc(c2)-c2ccccc2)n1
Cc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
Cc1csc(NC(=O)c2ccccc2)n1
Cc1cccc(NC(=O)c2ccccc2)n1
Cc1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)n1
Cc1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)n1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cn(nc1-c1ccccc1)-c1ccccc1
COc1ccc(cc1OC)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Brc1cccc(c1)-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1cccc(c1)C#N
COc1cc(OC)cc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
c1c(nn(c1-n1cc(nn1)-c1ccccc1)-c1ccccc1)-c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Clc1ccc(cc1Cl)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Fc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1c(cnn1-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCCC1
O=C(\N=c1/cc(-c2ccccc2)n(C(=O)c2ccc(cc2)C#N)n1-c1ccccc1)c1ccc(cc1)C#N
Clc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1=CCCCC1 |t:23|
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccncc1
O=C(Nc1cc(nn1-c1cccc(c1)C#N)-c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Cl)-c1ccccc1
Cc1ccc(cn1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
COc1cccc(c1)-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
Brc1ccccc1-n1nc(cc1NC(=O)c1cccc(c1)C#N)-c1ccccc1
COc1cccc(c1)-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1Br)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1ccccc1
Cc1ccc(cc1C)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
FC(F)(F)Oc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
COc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
Clc1ccccc1-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
O=C(N(C(=O)c1ccc(cc1)C#N)c1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
Brc1ccccc1-n1nc(cc1NC(=O)c1ccccc1)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCC1
O=C(Nc1cn(nc1-c1ccccc1)-c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(\C=C\C(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1F)-c1ccccc1
[O-][N+](=O)c1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(CC1CCCC1)Nc1cc(nn1-c1ccccc1)-c1ccccc1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(Nc1cc(nn1-c1ccccn1)-c1ccccc1)c1ccccc1
NC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(Nc1c(cnn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
OC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(Nc1c(cnn1-c1ccccc1)-c1ccccc1)c1ccccc1
CN(C)c1cncc2sc3c(ncn(-c4ccc(C)c(F)c4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCc4ccccn4)c23)c1=O
N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
Cc1cccc(n1)C#Cc1cc2ccccc2s1
CC(Nc1cccc(Cl)c1)C#Cc1cccc(C)n1
Cc1cccc(n1)C#CCNC(=O)Nc1cccc(Cl)c1
Cc1cccc(n1)C#CCSc1cccc(Cl)c1
Cc1cccc(n1)C#CCCc1ccccc1
CC(Oc1cccc(Cl)c1)C#Cc1cccc(C)n1
CC(C)C(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
Cc1cccc(n1)C#CCSc1ccccc1
Cc1cccc(n1)C#CCS(=O)c1ccccc1
CCC(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
Cc1cccc(n1)C#CCCCc1ccccc1
Cc1cccc(n1)C#CCNC(=O)c1cccc(Cl)c1
Cc1cccc(n1)C#CCCc1cccc(Cl)c1
CC(CC#Cc1cccc(C)n1)c1ccccc1
CN(CC#Cc1cccc(C)n1)c1ccccc1
Cc1cccc(n1)C#CC(=O)Nc1ccccc1
CC(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
Cc1cccc(n1)C#CCNc1cccc(Cl)c1
Cc1cccc(n1)C#CCNc1ccccc1
Clc1cccc(NC(=O)c2cccc3CC(=O)Nc23)c1
Cc1cc(NC(=O)c2cccc3oc(=O)[nH]c23)ccn1
O=C(Nc1ccccn1)c1cccc2oc(=O)[nH]c12
Clc1cc(Cl)cc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
Clc1cccc(NC(=O)c2cccc3[nH]c(=O)oc23)c1
Cc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1
CC(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1
Cc1nccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1
Cc1nc(NC(=O)c2cccc3oc(=O)[nH]c23)cs1
Cn1c2cccc(C(=O)Nc3cccc(Cl)c3)c2[nH]c1=O
COc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
Brc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
O=C(Nc1cccc(c1)C#N)c1cccc2oc(=O)[nH]c12
Clc1cccc(NC(=O)c2cccc3[nH]c(=O)[nH]c23)c1
Cc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
Clc1ccc(NC(=O)c2cccc3oc(=O)[nH]c23)cc1
FC(F)(F)c1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
Clc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
Clc1ccccc1NC(=O)c1cccc2oc(=O)[nH]c12
Clc1cccc(NC(=O)c2cccc3nn[nH]c23)c1
Clc1cccc(NC(=O)c2cccc3cc[nH]c23)c1
Clc1cccc(NC(=O)c2cccc3nc[nH]c23)c1
Clc1cccc(NC(=O)c2cccc3OCC(=O)Nc23)c1
O=C(Nc1ccccc1)c1cccc2oc(=O)[nH]c12
Cn1cc(O)nc1NC(=O)Nc1csc(Cl)c1
Cc1cccc(n1)C#Cc1cccnc1
Cc1cccc(n1)C#Cc1ccccc1Cl
Cn1cc(O)nc1NC(=O)Nc1ccccc1Cl
Cn1cc(O)nc1NC(=O)Nc1ccncc1
Cn1cc(O)nc1NC(=O)Nc1ncccc1Cl
Cn1cc(O)nc1NC(=O)Nc1ccccn1
Cc1cccc(n1)C#Cc1ccccn1
Cn1cc(O)nc1NC(=O)Nc1cccnc1
Cc1cccc(n1)C#Cc1ccc(Cl)cc1
Cn1cc(O)nc1NC(=O)Nc1ccsc1
Cn1cc(O)nc1NC(=O)Nc1ccncc1Cl
Cc1cccc(n1)C#Cc1cccc(Cl)c1
Cc1cccc(n1)C#Cc1ccncc1
Cn1cc(O)nc1NC(=O)Nc1ccc(Cl)cc1
Cc1cnccc1NC(=O)Nc1nc(O)cn1C
Cc1cccc(NC(=O)c2cc(ccn2)-c2cc(F)cc(F)c2)n1
Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc(c2)C#N)n1
Cc1cccc(NC(=O)c2ccc(cn2)-c2ccccn2)n1
Cc1cccc(NC(=O)c2nccc3ccccc23)n1
Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc3ccccc23)n1
Cc1cccc(NC(=O)c2cc(ccn2)-c2ncccn2)n1
Cc1cccc(NC(=O)c2cccn2C)n1
Cc1cccc(NC(=O)c2nccn2C)n1
COc1ccccc1-c1ccc(nc1)C(=O)Nc1cccc(C)n1
Cc1cccc(NC(=O)c2ccc(cn2)-c2ccccc2)n1
Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc(F)c2)n1
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1cnc2ccccc2n1
[O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl
Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncc(cc1C#N)-c1ccccc1
[#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O
[#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
[#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1-[#7+](-[#8-])=O
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
[#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
[#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccc1
[O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1ccccc1-c1ccccc1
Cc1ccc(c(n1)N1CCN(CC1)C(=O)c1cccc(c1)-c1ccccc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(C=C)nc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Cc1cccc(n1)C#C\C=C1\CCCN(C1)c1nc(C)ccc1[N+]([O-])=O
[#6]C1([#6])[#6]-[#7](-[#6]1=O)-c1ccc(cc1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
[#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cc(Cl)cc(c1)C#N
Cc1nc2cc(ccc2s1)-c1cccc(Cl)c1
COc1cc(OC)nc(n1)-c1ccc2ccc(C)nc2c1
Cc1ccc2ccc(cc2n1)-c1nc(C)cc(C)n1
Cc1nc2nc(sc2cc1-c1ccccc1)-c1ccccc1
Cc1ccc2ccc(cc2n1)-c1ncccn1
Cc1ccc2n(Cc3ccccc3)c(nc2n1)-c1ccccc1
Cc1ccc2ccc(cc2n1)-c1cnccn1
Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N
COc1cccc(c1)-c1ccc2sc(C)nc2c1
Cc1nc2cc(ccc2s1)-c1cccc(c1)C#N
Cc1ccc2[nH]c(nc2n1)-c1ccccc1
Cc1nc2nc(sc2cc1-c1cccs1)-c1ccccc1
COc1ccnc(n1)-c1ccc2ccc(C)nc2c1
Cc1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2n1
Cc1ccc(Nc2ncc(cc2Cl)[C@@H](Cc2ccccc2)NC(=O)c2nccs2)cn1 |r|
COC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1ccccn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1nc(C)cs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1ncco1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1cocn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cccnc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(OC)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(F)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)nc2)c(Cl)c1 |r|
Cc1ccc(Nc2ncc(cc2Cl)C2CCCN2C(=O)c2nccs2)cn1
CCCN(Cc1cnc(Nc2ccc(C)nc2)c(Cl)c1)C(=O)c1nccs1
CCCC(NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CCCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CC(C)[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CC(C)[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C(C)(C)C)cn1 |r|
Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CC2)cn1 |r|
Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCC2)cn1 |r|
Cc1ccc(Nc2ncc(cc2Cl)[C@@H](NC(=O)c2nccs2)C2CCC2)cn1 |r|
Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCC2)cn1 |r|
Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCCC2)cn1 |r|
Cc1ccc(Nc2ncc(cc2Cl)[C@@H](CC=C)NC(=O)c2nccs2)cn1 |r|
C\C=C\C[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cncnc1
Cc1nc2n(CC3CCCCC3)ncc2c(=O)n1-c1ccc(Cl)cc1
Cc1nc2n(ncc2c(=O)n1N1CCCCCC1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccc(Cl)c1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccn1
Cc1nc2n(ncc2c(=O)n1N1CCCCC1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1cnccn1)-c1cnccn1
Cc1nc2n(ncc2c(=O)n1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)C1CCCCCC1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Br)cc1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)c(F)c1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccnc1
Cc1cccc(c1)-n1ncc2c1nc(C)n(-c1ccc(Cl)cc1)c2=O
Cc1nc2n(ncc2c(=O)n1-c1ccc(O)cc1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccc(c1)S(N)(=O)=O
Cc1nc2n(ncc2c(=O)n1-c1ccc(OC(F)(F)F)cc1)-c1ccccc1
Cc1ccccc1-n1ncc2c1nc(C)n(-c1ccc(Cl)cc1)c2=O
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccc1
Cc1cnnc(n1)C#Cc1cccc(Cl)c1
Cc1cnnc(n1)C#Cc1cccc(c1)C(F)(F)F
COc1cccc(c1)C#Cc1nncc(C)n1
Cc1cnnc(n1)C#Cc1cccc(Br)c1
Cc1cccc(c1)C#Cc1nncc(C)n1
Cc1ccc(C)c(c1)C#Cc1nncc(C)n1
Cc1cnnc(n1)C#Cc1cccc2ccccc12
Cc1cnnc(n1)C#Cc1ccccc1
Cc1cnnc(n1)C#Cc1cccc(F)c1
Cc1cnnc(n1)C#Cc1cccc(c1)C#N
Cc1cnnc(n1)C#Cc1ccc(cc1)-c1ccccc1
Cc1cnnc(n1)C#Cc1ccc(F)c(C)c1
Cc1cnnc(n1)C#Cc1ccc(Oc2ccccc2)cc1
FCc1nc(cs1)C#Cc1cncc(c1)C#N
COc1cccc(c1)C#Cc1csc(CF)n1
FCc1nc(cs1)C#Cc1cccc(F)c1
FCc1nc(cs1)C#Cc1cccc(c1)C#N
Cc1ccc2ccc(cc2n1)-c1cc(O)cc(c1)C#N
Cc1ccc2ccc(cc2n1)-c1cccc(O)c1
Cc1ccc2ccc(cc2n1)-c1cccc(OC(F)(F)F)c1
CC(=O)c1cccc(c1)-c1ccc2ccc(C)nc2c1
Cc1ccc2ccc(cc2n1)-c1cc(Br)cc(c1)C#N
Cc1ccc2ccc(cc2n1)-c1ccc(cc1)C#N
Cc1ccc2ccc(cc2n1)-c1cccc(Cl)c1
Cc1ccc2ccc(cc2n1)-c1cncc(c1)C#N
CC(C)COc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
COCc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
COc1cccc(c1)-c1ccc2ccc(C)nc2c1
Cc1ccc2ccc(cc2n1)-c1cccnc1
Cc1ccc2ccc(cc2n1)-c1cc(cc(c1)C#N)C#N
CCSc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Cc1ccc2ccc(cc2n1)-c1cccc(CO)c1
COc1ccccc1-c1ccc2ccc(C)nc2c1
Cc1cccc(c1)-c1ccc2ccc(C)nc2c1
Cc1ccc2ccc(cc2n1)-c1cccc(c1)C(F)(F)F
COCc1cccc(c1)-c1ccc2ccc(C)nc2c1
Cc1ccc2ccc(cc2n1)-c1ccccc1C#N
Cc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
COc1ccc(cc1)-c1ccc2ccc(C)nc2c1
COc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Cc1ccc2ccc(cc2n1)-c1cc(Cl)cc(c1)C#N
Cc1ccc2ccc(cc2n1)-c1cccc(F)c1
CCS(=O)(=O)c1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Cc1ccc2ccc(cc2n1)-c1ccccc1
Cc1ccc2ccc(cc2n1)-c1cccc(c1)C(N)=O
CC(C)Oc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Cc1ccc2ccc(cc2n1)-c1cc(OC(F)(F)F)cc(c1)C#N
COCCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Cc1ccc2ccc(cc2n1)-c1cccc(CC#N)c1
CCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccccc3F)oc2C1
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccc(F)c3)oc2C1
Fc1ccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccc(F)cc2)cc1
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccc(F)c(F)c3)oc2C1
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccccn3)oc2C1
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccnc3)oc2C1
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccncc3)oc2C1
Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccccc2)c1
Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2cccc(F)c2)c1
Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2cccc(F)c2F)c1
Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccc(F)c(F)c2)c1
Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2cc(F)cc(F)c2)c1
Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2c(F)cccc2F)c1
O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1cc2ccccc2[nH]1
Cn1c(cc2ccccc12)C(=O)N1CCc2nc(COc3ccccc3)oc2C1
O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1c[nH]c2ccccc12
Cn1cc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)c2ccccc12
O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2ccccc12
O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2cccnc12
O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2ccncc12
O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2ncccc12
CC1N(CCc2nc(COc3ccccc3)oc12)C(=O)c1ccc(F)cc1
CC1(C)N(CCc2nc(COc3ccccc3)oc12)C(=O)c1ccc(F)cc1
CC1Cc2nc(COc3ccccc3)oc2CN1C(=O)c1ccc(F)cc1
CC1(C)CN(Cc2oc(COc3ccccc3)nc12)C(=O)c1ccc(F)cc1
Cc1cc(F)cc(c1)-c1ncc2ccc(C)nc2n1
Clc1cc(Cl)cc(c1)-c1ncc2cccnc2n1
COc1cc(cc(OC)c1OC)-c1ncc2ccc(C)nc2n1
COc1cc(OC)cc(c1)-c1ncc2ccc(C)nc2n1
COc1cccc(c1)-c1ncc2ccc(C)nc2n1
Cc1ccc2cnc(nc2n1)-c1cccc(CN)c1
Cc1ccc2cnc(nc2n1)-c1cccc(Br)c1
Brc1cccc(c1)-c1ncc2cccnc2n1
Cc1cc(F)cc(c1)-c1ncc2cccnc2n1
Cc1cccc(c1)-c1ncc2ccc(C)nc2n1
Cc1ccc2cnc(nc2n1)-c1cc(Cl)cc(Cl)c1
Cc1ccc2cnc(nc2n1)-c1ccc(cc1)C#N
COc1cc(cc(c1)-c1ncc2cccnc2n1)C#N
Cc1ccc2cnc(nc2n1)-c1ccc(Cl)c(Cl)c1
Cc1ccc2cnc(nc2n1)-c1ccc(Cl)cc1Cl
Cc1ccc2cnc(nc2n1)-c1cccc(c1)S(C)(=O)=O
Cc1ccc2cnc(nc2n1)-c1ccc(Br)cc1
COc1ccccc1-c1ncc2ccc(C)nc2n1
COc1cc(cc(c1)-c1ncc2ccc(C)nc2n1)C#N
COC(=O)c1ccc(cc1)-c1ncc2ccc(C)nc2n1
Cc1ccc2cnc(nc2n1)-c1ccccc1
Cc1ccc2cnc(nc2n1)-c1cccc(c1)C#N
N#Cc1cccc(c1)-c1ncc2cccnc2n1
N#Cc1cccc(c1)-c1cc(ncn1)-c1ccncn1
Fc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
N#Cc1cccc(c1)-c1cc(ncn1)-n1cccn1
Fc1cccc(c1)-c1cc(ncn1)-n1cccn1
Fc1ccc(cc1-c1cc(ncn1)-n1cccn1)C#N
Cc1cc(cc(c1)-c1cc(ccn1)-n1cccn1)C#N
COc1cc(F)cc(c1)-c1cc(ncn1)-n1cccn1
Cc1cc(cc(c1)-c1ccnc(c1)-n1cccn1)C#N
NC(=O)c1cc(F)cc(c1)-c1cc(ncn1)-n1cccn1
Fc1cnn(c1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O
Clc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
Cc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(C)cc4)c3=O)c21
C[C@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
Cc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
C[C@@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
COc1ccc(cc1)-n1cnc2c(sc3ncc4O[C@H](C)CNc4c23)c1=O
C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
Cc1cccc(c1)-c1ccc2cccnc2n1
c1ccc(cc1)-c1ccc2cccnc2n1
COc1cc(cc(c1)-c1cc2nc(C)ccc2cn1)C#N
Cc1cccc(c1)-c1cnc2cccnc2c1
COCOc1cc(cc(c1)-c1cc2ncccc2cn1)C#N
COc1cc(OC)cc(c1)-c1ccc2ccc(C)nc2n1
N#Cc1cccc(c1)-c1ccc2cccnc2n1
Cc1ccc2ccc(nc2n1)-c1cc(F)cc(F)c1
Cc1ccc(cc1C)-c1ccc2cccnc2n1
Cc1cc(C)cc(c1)-c1cnc2cccnc2c1
Cc1ccc2ccc(nc2n1)-c1cccc(Br)c1
COc1cc(OC)cc(c1)-c1cc2ncccc2cn1
COc1cc(OC)cc(c1)-c1cc2nc(C)ccc2cn1
Cc1cccc(c1)-c1cc2ncccc2cn1
Cc1ccc2ccc(nc2n1)-c1cccc(c1)C#N
COc1cc(cc(c1)-c1cnc2cccnc2c1)C#N
Fc1cc(cc(c1)-c1cc2ncccc2cn1)C#N
c1ccc(cc1)-c1cc2ncccc2cn1
Cc1ccc2cnc(cc2n1)-c1ccccc1
Cc1cccc(c1)-c1cc2nc(C)ccc2cn1
Cc1ccc2ccc(nc2n1)-c1cccc(Cl)c1
Cc1cc(F)cc(c1)-c1cc2ncccc2cn1
COc1cc(cc(c1)-c1cc2ncccc2cn1)C#N
COc1cc(OC)cc(c1)-c1ccc2cccnc2n1
COc1cccc(c1)-c1cc2nc(C)ccc2cn1
Cc1ccc2ccc(nc2n1)-c1ccccc1
Cc1ccc(cc1C)-c1cnc2cccnc2c1
Cc1cccc(c1)-c1ccc2ccc(C)nc2n1
Cc1cc(F)cc(c1)-c1cc2nc(C)ccc2cn1
N#Cc1cccc(c1)-c1cnc2cccnc2c1
FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccccc3F)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3cccc(F)c3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cc3F)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccccc3C)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3cccc(C)c3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(C)cc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccccc3Cl)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3cccc(Cl)c3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cc3)nn12)c1ccc(F)cc1 |r|
COc1ccccc1OCc1cc2C(=O)N(C[C@@H](C)n2n1)c1ccc(F)cc1 |r|
COc1cccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)c1 |r|
COc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(cc3)C(F)(F)F)nn12)c1ccc(F)cc1 |r|
CCc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(cc3)C#N)nn12)c1ccc(F)cc1 |r|
CCOc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ncccc3F)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ncccc3C(F)(F)F)nn12)c1ccc(F)cc1 |r|
COc1cccnc1OCc1cc2C(=O)N(C[C@@H](C)n2n1)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3cc(C)ccn3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3cc(ccn3)C(F)(F)F)nn12)c1ccc(F)cc1 |r|
COc1ccnc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3cccc(C)n3)nn12)c1ccc(F)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3cccc(n3)C(F)(F)F)nn12)c1ccc(F)cc1 |r|
COc1cccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)n1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccc1Cl |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(Cl)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(Cl)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccc1C |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(C)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(C)cc1 |r|
COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r|
COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r|
COc1ccc(cc1)N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cc(F)ccc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1c(F)cccc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccn1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccnc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccncc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccc(F)cn1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(F)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccc1Cl |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(Cl)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(Cl)cc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccc1C |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(C)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(C)cc1 |r|
COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r|
COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r|
COc1ccc(cc1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccc1C#N |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(c1)C#N |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(cc1)C#N |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(F)c1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1c(F)cccc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(F)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)ccc1C#N |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(c1)C#N |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccn1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccnc1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ncccc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ncccc1C#N |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cn1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(F)n1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccnc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cnccc1F |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cncc(F)c1 |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cncc(c1)C#N |r|
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)nc1 |r|
c1ccc(cc1)C#Cc1cncnc1
Cc1ccc(C)c(c1)C#Cc1cncnc1
c1ccc(cc1)-c1ccc(cc1)C#Cc1cncnc1
Fc1cc(F)cc(c1)C#Cc1cncnc1
Cc1cc(ccc1F)C#Cc1cncnc1
FC(F)(F)c1cccc(c1)C#Cc1cncnc1
Clc1cccc(c1)C#Cc1cncnc1
Cc1cccc(c1)C#Cc1cncnc1
Cc1ccc(cc1)C#Cc1cncnc1
O=Cc1ccc(cc1)C#Cc1cncnc1
Clc1ccc(cc1)C#Cc1cncnc1
CCc1ccc(cc1)C#Cc1cncnc1
Fc1cccc(NC(=O)c2cccc(Cl)c2)c1
Cc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:14|
COc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccc(F)cc1 |c:10|
CC(C)(C)NC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
CC(C)(C)CC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccn1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccncc1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ncccc1F |c:10|
Cc1c(nnn1-c1ncccc1F)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
CC(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1F |c:9|
CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccc(F)c1 |c:10|
CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Fc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)c(F)c1
Fc1ccc(cc1F)N1CCn2nc(COc3ccccc3)cc2C1=O
Cc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
COc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
O=C1N(CCn2nc(COc3ccccc3)cc12)c1ccccn1
O=C1N(CCn2nc(COc3ccccc3)cc12)c1cccnc1
O=C1N(CCn2nc(COc3ccccc3)cc12)c1ccncc1
Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Cc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
COc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Fc1cnc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(COc3ccccc3F)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(COc3cccc(F)c3)cc2C1=O
Fc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Cc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Fc1ccc(cc1)N1CCn2nc(COc3ccccn3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(COc3cccnc3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(COc3ccncc3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(COc3ccc(F)cn3)cc2C1=O
Fc1ccc(nc1)N1CCn2nc(COc3cccc(F)c3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
Fc1ccnc(c1)N1CCn2nc(OCc3ccccc3)cc2C1=O
CC(Oc1ccccc1)c1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
Fc1ccc(cc1)N1CCCn2nc(COc3ccccc3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)nc2C1=O
Cc1c(COc2ccccc2)nn2CCN(C(=O)c12)c1ccc(F)cc1
Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)c(Cl)c2C1=O
Fc1ccccc1N1CCn2nc(COc3ccccc3)cc2C1=O
Fc1cccc(c1)N1CCn2nc(COc3ccccc3)cc2C1=O
OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1
Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1
Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1
Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1ccc(Cl)c(F)c1
Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N
CC1CCN(CC1)c1c(cnc2ccccc12)S(=O)(=O)c1ccc(C)cc1
Cc1nc(cs1)C#Cc1cc(F)cc(c1)-c1cccnc1
Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Cc1cccc(NC(=O)c2ccc(cc2)C#N)n1
Cc1cccc(NC(=O)c2ccc(Br)cc2)n1
Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1
Cc1cccc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)n1
Cc1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)n1
Cc1cccc(NC(=O)c2ccc(cc2)-c2cccc(c2)C#N)n1
Cc1cccc(NC(=O)c2ccc(cc2)-c2cccc(Cl)c2)n1
Cc1cccc(NC(=O)c2cc(F)cc(F)c2)n1
Cc1cccc(NC(=O)c2ccc(F)c(F)c2)n1
Cc1cccc(NC(=O)c2cc(F)cc(c2)-c2cccnc2)n1
COc1ccccc1-c1cc(F)cc(c1)C(=O)Nc1cccc(C)n1
Cc1cccc(NC(=O)c2cc(F)cc(c2)-c2ccccc2C)n1
Cc1cccc(NC(=O)c2cncc(c2)-c2cccnc2)n1
COc1ccccc1-c1cncc(c1)C(=O)Nc1cccc(C)n1
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
CNc1ncc(cn1)C#Cc1ccccc1
CNc1ncc(cn1)C#Cc1cccc(C)c1
CSc1ncc(cn1)C#Cc1ccccc1
CC(C)(C)c1ncc(cn1)C#Cc1ccccc1
Cc1ccc(cc1)C#Cc1ncccn1
Cc1cccc(c1)C#Cc1ncccn1
c1ccc(cc1)C#Cc1ncccn1
CCOc1ncc(cn1)C#Cc1cccc(C)c1
CNc1ncc(cn1)C#Cc1ccc(C)cc1
[H][C@@]12CCC[C@H](C#Cc3cccc(c3)C#N)N1CCN(C2)c1ncccc1C#N |r|
[H][C@@]12CC[C@@H](N1CCN(C2)c1nccnc1C#N)c1nnn(n1)-c1cccc(Cl)c1 |r|
Cc1cccc(n1)C(=O)NC12CC3CC(C1)CC(C3)(C2)NC(=O)c1cccc(C)n1 |TLB:15:10:13.14.16:18,20:17:13:11.15.10,THB:15:14:18:11.10.19,19:10:13:16.17.18,19:17:13:11.15.10,9:10:13:16.17.18,9:10:13.14.16:18|
C[C@@H](Oc1nnc(-c2cn[nH]c(=O)c2)n1C)c1nnn(n1)-c1cccc(C)c1 |r|
C[C@H]1N(CCc2sccc12)C(=O)c1cc2ncc(Br)cn2n1 |r|
Fc1ccc(cc1)-c1nc(Nc2nc3ccccc3o2)ncc1C#N
Fc1ccc-2c(SCc3c(nnn-23)C(=O)Nc2ccnc(Cl)c2)c1Cl
Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O
OC(=O)C[C@H]1CN[C@@H]1C(O)=O
Cc1cc(C(O)=O)c(O)cc1C(N)C(O)=O
Cc1c(O)c(ccc1C(N)C(O)=O)C(O)=O
N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
CC1(C)CC(N)(C(O)=O)c2ccc(cc2O1)C(O)=O
N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O
N[C@@H](C[C@@H](CCC(N)=O)C(O)=O)C(O)=O |r|
CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O
N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O |r|
CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O
N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O |r|
NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
NCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
[H][C@@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
C[C@H](Nc1ncnc2c1nn1ccccc21)C1CCCCC1 |r|
C[C@@H](Nc1ncnc2c1nn1ccccc21)C1CCCCC1 |r|
C[C@H](Nc1ncnc2c1nn1ccccc21)C1CC1 |r|
C[C@@H](Nc1ncnc2c1nn1ccccc21)C1CC1 |r|
C[C@H](Nc1ncnc2c1nn1ccccc21)C(C)(C)C |r|
C[C@@H](Nc1ncnc2c1nn1ccccc21)C(C)(C)C |r|
CC(C)(C)CCNc1ncnc2c1nn1ccccc21
CCC(C)(C)Nc1ncnc2c1nn1ccccc21
C1CCC(CC1)Nc1ncnc2c1nn1ccccc21
C1CCCC(CC1)Nc1ncnc2c1nn1ccccc21
C1CCCC(CCC1)Nc1ncnc2c1nn1ccccc21
C1C(Cc2ccccc12)Nc1ncnc2c1nn1ccccc21
C1C2CC3CC1CC(C2)(C3)Nc1ncnc2c1nn1ccccc21 |TLB:8:7:0.1.2:4,10:7:0.1.2:4,THB:8:1:4:7.6.9,2:1:6:3.4.9,2:3:6:0.1.8|
OC12CC3CC(C1)CC(C3)(C2)Nc1ncnc2c1nn1ccccc21 |TLB:0:1:4:8.7.9,11:8:4:2.1.6,THB:9:8:4.3.2:6,9:3:6:8.7.10,10:8:4:2.1.6,10:1:4:8.7.9,11:8:4.3.2:6|
C1C2CC3CC1CC(C2)C3Nc1ncnc2c1nn1ccccc21 |TLB:4:3:8:5.0.6,THB:9:3:0:8.7.6,9:7:2.3.4:0,4:5:9.2.3:8,10:9:8:5.0.6|
[H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)Nc1ncnc3c4ccccn4nc13)C2(C)C |r|
[H][C@@]12C[C@@]([H])([C@H](C)[C@H](C1)Nc1ncnc3c4ccccn4nc13)C2(C)C |r|
FC1(F)CCC(CC1)Nc1ncnc2c1nn1ccccc21
[H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)Nc1nc(C)nc3c4ccccn4nc13)C2(C)C |r|
[H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23|
C[C@H]1CC[C@@H](CC1)Nc1nc(N)nc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-5.03,1.51,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
CNc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:6.5,wD:9.9,(-5.3,2.95,;-5.3,1.67,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-2.68,-2.99,;-4.07,-3.76,;-4.1,-5.35,;-5.5,-6.11,;-6.86,-5.29,;-7.98,-5.9,;-6.82,-3.7,;-5.43,-2.93,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-1.3,.87,;-2.64,1.63,)|
C[C@H]1CC[C@@H](CC1)Nc1nc(nc2c1nn1ccccc21)N(C)C |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-5.3,1.67,;-5.3,2.95,;-6.41,1.04,)|
C[C@H]1CC[C@@H](CC1)Nc1ncnc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
Nc1nc(NC2C3CC4CC(C3)CC2C4)c2nn3ccccc3c2n1 |TLB:4:5:7:10.9.11,THB:9:10:5:7.8.14,9:8:5:10.12.11,12:10:7:5.13.14,12:13:7:10.9.11|
[H][C@@]12CC[C@](C)([C@H](C1)Nc1ncnc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:22|
C[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.11,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-5.03,1.51,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
CC1(C)CCC(CC1)Nc1ncnc2c1nn1ccccc21
[H][C@@]12CC[C@@]([H])(C1)[C@H](C2)Nc1ncnc2c1nn1ccccc21 |r|
COCCNc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:9.8,wD:12.12,(-7.65,6.19,;-6.57,5.56,;-6.57,4,;-5.21,3.21,;-5.22,1.65,;-3.86,.86,;-3.86,-.63,;-2.6,-1.38,;-2.63,-2.94,;-4,-3.7,;-4.04,-5.26,;-5.41,-6.01,;-6.75,-5.2,;-7.85,-5.8,;-6.71,-3.64,;-5.34,-2.89,;-1.28,-.63,;,-1.38,;1.28,-.63,;2.58,-1.38,;3.9,-.63,;3.9,.86,;2.58,1.61,;1.28,.86,;-1.28,.86,;-2.6,1.61,)|
CC(C)Nc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:8.7,wD:11.11,(-6.4,3.9,;-5.3,3.27,;-4.2,3.9,;-5.3,1.67,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-2.68,-2.99,;-4.07,-3.76,;-4.11,-5.35,;-5.5,-6.11,;-6.86,-5.29,;-7.98,-5.9,;-6.82,-3.7,;-5.43,-2.93,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-1.3,.87,;-2.64,1.63,)|
OCCSc1nc2CCCCc2c(NC2Cc3ccccc3C2)n1
COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#Cc1ccccc1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#Cc1ccccc1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cncc(F)c1 |r|
O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cc(ccn1)C#Cc1ccccc1 |r|
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCC2CCCCC12
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCc2ccccc12
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCCC1
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)OC(C)(C)C
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2
[H][C@@]12CC[C@@]([H])(CN1C(=O)c1csnn1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|
[H][C@@]12CC[C@@]([H])(CN1C(=O)c1ccon1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|
[H][C@@]12CC[C@@]([H])(C=C1c1ccc3n(CC(C)(C)C)c(=O)n(C)c3n1)N(C2)C(=O)c1ccon1 |r,c:6|
NC(=O)c1ccc(nc1)C#Cc1ccccc1
CC(C)CCNC(=O)c1ccc(nc1)C#Cc1ccccc1
O=C(NC1CCCC1)c1ccc(nc1)C#Cc1ccccc1
O=C(NC1CCCCC1)c1ccc(nc1)C#Cc1ccccc1
CC1CCC(CC1)NC(=O)c1ccc(nc1)C#Cc1ccccc1 |(8.96,-22.26,;7.42,-22.25,;6.64,-23.59,;5.11,-23.58,;4.35,-22.25,;5.1,-20.91,;6.65,-20.92,;2.81,-22.25,;2.03,-20.92,;2.8,-19.58,;.49,-20.92,;-.28,-19.58,;-1.82,-19.59,;-2.58,-20.91,;-1.82,-22.25,;-.28,-22.25,;-4.12,-20.91,;-5.66,-20.92,;-7.2,-20.96,;-8.01,-19.65,;-9.54,-19.69,;-10.28,-21.05,;-9.48,-22.36,;-7.94,-22.33,)|
O=C(NCc1ccco1)c1ccc(nc1)C#Cc1ccccc1
O=C(NCc1ccsc1)c1ccc(cc1)C#Cc1ccccc1
O=C(NCc1ccsc1)c1ccc(nc1)C#Cc1ccccc1
O=C(N1CCCCC1)c1ccc(nc1)C#Cc1ccccc1
CC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
CC1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1ccccc1
CN1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
CN1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1ccccc1
O=C(N1CCOCC1)c1ccc(nc1)C#Cc1ccccc1
O=C(N1CCSCC1)c1ccc(nc1)C#Cc1ccccc1
C1CN(CCO1)C(N1CCOCC1)c1ccc(cc1)C#Cc1ccccc1
COc1ccc(cc1)C(=O)\C=C\c1cc2ccc(C)cc2nc1Cl
O=C(C1CC1c1ccc(nc1)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 |THB:1:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccccc3)cc2c1
Cc1coc(C)c1C(=O)C=Cc1cc2ccc(C)cc2nc1Cl |w:10.11|
COc1ccc(cc1)C(=O)\C=C\c1cc2cc(C)ccc2nc1Cl
Cc1ccc2cc(\C=C\C(=O)c3cccs3)c(Cl)nc2c1
Cc1ccc2nc(Cl)c(\C=C\C(=O)c3cccs3)cc2c1
Cc1cccc2cc(\C=C\C(=O)c3ccccc3)c(Cl)nc12
COc1ccc(cn1)C1CC1C(=O)C12CC3CC(CC(C3)C1)C2 |THB:11:13:16:20.18.19,18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
O=C(C1CC1c1cccnc1)C12CC3CC(CC(C3)C1)C2 |THB:1:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
O=C(C1CC1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,1:15:18:22.20.21,23:21:18:24.15.16,23:15:18:22.20.21|
COc1ncc(\C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1C |THB:8:10:13:17.15.16,15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
O=C(\C=C\c1cnc2OCCOc2c1)C12CC3CC(CC(C3)C1)C2 |THB:1:14:17:21.19.20,19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
O=C(\C=C\c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 |THB:19:18:15:21.20.22,19:20:17.18.23:15,1:14:17:21.19.20,22:20:17:23.14.15,22:14:17:21.19.20|
CC(C)(C)C(=O)\C=C\c1cnc2ccccc2c1
O=C(C=Cc1cnc2ccccc2c1)C1CC1 |w:3.3|
N#Cc1c(cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1C1CC1)-c1ccccc1
FC1(F)CC(C1)c1c(C#N)c(nc2[nH]nc(-c3cccc(Cl)c3)c12)-c1ccccc1
Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N
Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
Fc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
Cn1nc(-c2ccccc2)c2c(-c3ccccc3)c(C#N)c(nc12)-c1ccccc1
c1ccc(cc1)-c1n[nH]c2nc(cc(-c3ccccc3)c12)-c1ccccc1
Clc1ccc(cc1)-c1nc2[nH]nc(-c3ccccc3)c2c(-c2ccccc2)c1C#N
N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)C1CC1
CC(C)(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
CC(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
Cc1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
CC(C)(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(CCC(F)(F)F)c12
Fc1ccc(cc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
FC(F)(F)c1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Clc1ccc(cc1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
N#Cc1c(nc2[nH]cc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
Clc1cccc(c1)-c1nc2[nH]nc(-c3ccccc3)c2c(-c2ccccc2)c1C#N
N#Cc1c(nc2[nH]nc(C3CC3)c2c1-c1ccccc1)-c1ccccc1
CCCc1c(C#N)c(nc2[nH]nc(-c3ccccc3)c12)-c1ccccc1
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCO1 |r|
O[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.49,4.51,;-6.15,3.74,;-4.66,4.14,;-4.27,2.65,;-5.75,2.26,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
Fc1cc(F)cc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
O[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,wD:18.21,1.0,(-7.49,4.51,;-6.15,3.74,;-5.75,2.26,;-4.27,2.65,;-4.66,4.14,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCC1 |r|
COC1(CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)OC |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCCC1 |r|
F[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(=O)C1 |r|
C[C@@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.1,wD:19.22,1.0,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1Cl |r|
Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(Cl)c1 |r|
COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOCC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC1 |r|
C[C@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.0,wD:19.22,1.1,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1COC1 |r|
F[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,1.0,wD:18.21,3.5,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1ccc(Cl)cc1 |r|
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cncnc1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cc(N)ncn1
CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CCNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CC(C)N(C)c1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Cc1c(nnn1-c1cccnc1F)-c1ccc2C(=O)N(Cc2c1)C1CC1
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCC2)cc1
Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCCC2)cc1
Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCCCC2)cc1
CCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
CC1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
CC1CCN(CC1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
Clc1ccc(Nc2ccc(cn2)C(=O)NC2CCCCC2)cc1
O=C(N1CCCCC1)c1ccc(Nc2ccccc2)nc1
O=C(N1CCCCC1)c1ccc(NC2CCCCC2)nc1
Clc1ccccc1Nc1ccc(cn1)C(=O)N1CCCCC1
Clc1cccc(Nc2ccc(cn2)C(=O)N2CCCCC2)c1
Fc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Cc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
COc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1Cl
Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)nc1
Cc1cccc(Nc2ccc(cn2)C(=O)N2CCCCC2)n1
Cc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cn1
CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)cc1
CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
COc1cc(cnc1Nc1ccc(Cl)cc1)C(=O)N1CCCCC1
CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nn1
CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(Cl)cc2)nc1
Clc1ccc(Nc2cnc(cn2)C(=O)N2CCCCC2)cc1
CC1CCCN(C1)C(=O)c1cc(Nc2ccc(Cl)cc2)[nH]n1
C[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
CN(c1ccc(Cl)cc1)c1ccc(cn1)C(=O)N1CCCCC1
CC1CCCN(C1)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1
Fc1ccc2ncnc(Nc3ccc(Cl)cc3F)c2c1
Fc1ccc2ncnc(Nc3cc(F)cc(Cl)c3)c2c1
Fc1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
Fc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
COc1cccc(Nc2ncnc3ccc(F)cc23)c1
Fc1ccc2ncnc(Nc3cccc(c3)C#N)c2c1
Fc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1
Cc1cccc(Nc2ncnc3ccc(F)cc23)c1
Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Fc1ccc2ncnc(Nc3ccccc3)c2c1
Brc1cccc(Sc2ncnc3ccc(Br)cc23)c1
Brc1cccc(Oc2ncnc3ccc(Br)cc23)c1
CN(c1cccc(Br)c1)c1ncnc2ccc(Br)cc12
Clc1ccc2ncnc(Sc3cccc(Br)c3)c2c1
Clc1ccc2ncnc(Oc3cccc(Br)c3)c2c1
CN(c1cccc(Br)c1)c1ncnc2ccc(Cl)cc12
Clc1ccc2ncnc(NCCc3ccccc3Cl)c2c1
Clc1cccc(CCNc2ncnc3ccc(Cl)cc23)c1
Clc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
Clc1ccc2ncnc(NCCc3ccccc3)c2c1
Clc1ccc2ncnc(NCc3ccccc3Cl)c2c1
Clc1cccc(CNc2ncnc3ccc(Cl)cc23)c1
Clc1ccc(CNc2ncnc3ccc(Cl)cc23)cc1
Clc1ccc2ncnc(NCc3ccccc3)c2c1
Clc1ccc2ncnc(Nc3ccccc3)c2c1
Brc1cccc(Nc2nccc3ccc(Br)cc23)c1
Clc1ccc2nccc(Nc3cccc(Br)c3)c2c1
Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Clc1cccc(Nc2ncnc3ccc(cc23)C#N)c1
COc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
[O-][N+](=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
Clc1cccc(Nc2ncnc3ccc(Cl)cc23)c1
Fc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
COc1cccc(Nc2ncnc3ccc(Br)cc23)c1
FC(F)(F)c1cccc(Nc2ncnc3ccc(Br)cc23)c1
Cc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Brc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Fc1cccc(Nc2ncnc3ccc(Br)cc23)c1
CCc1cccc(Nc2ncnc3ccc(F)cc23)c1
Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Brc1ccc2ncnc(Nc3ccccc3)c2c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(F)c2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(c2)C#N)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc3OCOc3c2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2c2ccccc2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,17:19:22:26.25.24|
COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CCCC2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CCC2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)C)c1
COc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1
COCC(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Clc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
Fc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Fc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccc3OCOc3c2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CC2c2ccccc2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24,16:18:21:25.23.24|
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCCC2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCC2)c1
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CC2)c1
CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
CC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
COCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Oc1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
COc1cc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc(OC)c1
COc1ccccc1NC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
Clc1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
O=C(Nc1cccnc1)c1cccc(c1)N1C(=O)c2ccccc2C1=O
O=C(Nc1ccccn1)c1cccc(c1)N1C(=O)c2ccccc2C1=O
Fc1ccccc1NC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
Fc1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
O=C(NC1CC1)c1cccc(c1)N1C(=O)c2ccccc2C1=O
O=C(NC1CC2CCC1C2)c1cccc(c1)N1C(=O)c2ccccc2C1=O |TLB:2:3:7.6:9|
Oc1ccccc1NC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
Clc1ccc(NC(=O)c2ccc(Br)o2)cc1-c1nc2ccccc2[nH]1
Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=O)nc(N)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=S)nc(N)c23)c1=O
CNc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(C)cc2)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)-n2cccc2)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)C(F)(F)F)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)C2CC2)c1=O
Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccccc2)c1=O
COc1ccc(cc1)-n1cnc2c(sc3nc(C)nc(N)c23)c1=O
Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(F)cc2)c1=O
Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O
Cc1ccc2ccc(cc2n1)-c1ccc(O)c(c1)C#N
Cc1nc2cc(ccc2s1)-c1ccc(OS(=O)(=O)C(F)(F)F)c(c1)C#N
Cc1nc2cc(ccc2s1)-c1ccc(-c2ccc(F)cc2)c(c1)C#N
COCOc1ccc(cc1C#N)-c1ccc2ccc(C)nc2c1
Cc1ccc2ccc(cc2n1)-c1ccc(OCc2ccccc2)c(c1)C#N
Cc1nc2cc(ccc2s1)-c1ccc(OCc2ccccc2)c(c1)C#N
Cc1ccc2ccc(cc2n1)-c1ccc(Cl)cc1C#N
Cc1ccc2ccc(cc2n1)-c1ccc(-c2ccccc2)c(c1)C#N
Cc1ccc2ccc(cc2n1)-c1ccc(-c2ccc(F)cc2)c(c1)C#N
Cc1ccc2ccc(cc2n1)-c1ccc(-c2cccnc2)c(c1)C#N
N#Cc1cc(ccc1-c1ccccc1)-c1ccc2scnc2c1
N#Cc1cc(ccc1-c1cccnc1)-c1ccc2scnc2c1
Cc1cccc(n1)C#Cc1cncc(c1)C#N
Cc1ccc2ccc(cc2n1)-c1cnc(Cl)c(c1)C#N
Cc1ccc2ccc(cc2n1)-c1cnc(-c2ccccc2)c(c1)C#N
CO\N=C1/CCCC(=C1)C#Cc1cccnc1 |c:7|
CO\N=C1/CCCC(=C1)C#Cc1ccncc1 |c:7|
CO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:7|
CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7|
Cc1cccc(n1)C#CC1=C\C(CCC1)=N\Oc1cccc(F)n1 |t:10|
Fc1cccc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)n1 |c:12|
Fc1cccnc1O\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:14|
Fc1cccc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)n1 |c:12|
Fc1cc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10|
Fc1ccc(C#N)c(O\N=C2/CCCC(=C2)C#Cc2ccccn2)c1 |c:14|
Fc1cc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10|
FCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:11|
FCCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
Cc1cccc(n1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:10|
Fc1cc(cc(c1)C(=O)Nc1ccc(F)c(Cl)c1)C#N
Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1F)C#N
CS(=O)(=O)c1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
CC(C)(C)c1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
CCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C#C)C#N
Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C#N)C#N
Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)C#N
COc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
COc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
COc1ccccc1NC(=O)c1cc(F)cc(c1)C#N
Cc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Cc1ccccc1NC(=O)c1cc(F)cc(c1)C#N
Fc1cc(cc(c1)C(=O)Nc1ccc(Cl)cc1)C#N
Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N
Fc1cc(cc(c1)C(=O)Nc1ccccc1Cl)C#N
Fc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
Fc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Fc1cc(cc(c1)C(=O)Nc1ccccc1F)C#N
Fc1cc(cc(c1)C(=O)Nc1ccccc1)C#N
Fc1cc(cc(c1)C(=O)NC1C2CC3CC(C2)CC1C3)C#N |TLB:9:10:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.19:10,17:15:12:19.18.10,17:18:12:16.14.15,(14.33,-18.54,;14.33,-17,;15.67,-16.23,;15.67,-14.68,;14.33,-13.91,;13,-14.68,;13,-16.23,;11.67,-13.91,;11.67,-12.37,;10.33,-14.69,;9,-13.92,;8.98,-12.43,;10.16,-11.14,;8.67,-11.58,;7.26,-11.02,;6.25,-12.31,;7.65,-11.95,;6.26,-13.84,;7.66,-14.41,;8.69,-13.17,;17,-13.9,;18.32,-13.13,)|
Fc1cc(cc(c1)C(=O)NC1CCCCC1)C#N
CC(C)(C)c1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
Fc1cc(cc(c1)C(=O)Nc1nc(cs1)C1CC1)C#N
Cc1nc(NC(=O)c2cc(F)cc(c2)C#N)sc1C
Cc1cnc(NC(=O)c2cc(F)cc(c2)C#N)s1
COc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Fc1cc(cc(c1)C(=O)Nc1cccc(n1)C(F)(F)F)C#N
Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)n1)C#N
Cc1cc(C)nc(NC(=O)c2cc(F)cc(c2)C#N)c1
Cc1ccnc(NC(=O)c2cc(F)cc(c2)C#N)c1
Cc1cccnc1NC(=O)c1cc(F)cc(c1)C#N
Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
Fc1cc(cc(c1)C(=O)Nc1ccon1)C#N
Cn1ccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Fc1cc(cc(c1)C(=O)Nc1nccs1)C#N
Fc1cc(cc(c1)C(=O)Nc1ccncc1)C#N
Fc1cc(cc(c1)C(=O)Nc1cccnc1)C#N
Fc1cc(cc(c1)C(=O)Nc1ccccn1)C#N
Fc1cc(Cl)cc(NC(=O)c2cc(F)cc(c2)C#N)c1
Fc1cc(cc(c1)C(=O)Nc1cc(Cl)ccc1F)C#N
CN(C)c1ccc(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)cc1
O=C(Nc1ccccc1)O\N=C(\C(CN1CCN(CC1)c1ccccc1)C1CCCCC1)C1CCCCC1
O=C(Nc1ccccc1)O\N=C(\C(CN1CCc2ccccc2C1)C1CCCCC1)C1CCCCC1
Clc1cccc(NC(=O)O\N=C(\C(CN2CCOCC2)C2CCCCC2)C2CCCCC2)c1
Cc1nccn1CC(C1CCCCC1)C(=N\OC(=O)Nc1cccc(Cl)c1)\C1CCCCC1
Clc1cccc(NC(=O)O\N=C(\C(Cc2ccncc2)C2CCCCC2)C2CCCCC2)c1
Nc1nccc(\C=C\c2ccccc2)n1
CO\N=C1/CCCC(=C1)C#Cc1csc(CF)n1 |c:7|
CO\N=C1/CCCC(=C1)C#Cc1nccs1 |c:7|
FCCOCCO\N=C1/CCCC(=C1)C#Cc1cscn1 |c:12|
Cc1nc(cs1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:9|
N#Cc1cccnc1N1CCc2oc(nc2C1)-c1ccccc1
N#Cc1cccnc1N1CCc2oc(nc2C1)-c1ccccn1
N#Cc1cccnc1N1CCc2nc(oc2C1)-c1ccccn1
C1Cc2oc(nc2CN1c1ccccc1)-c1ccccn1
N#Cc1cccc(c1)N1CCc2oc(nc2C1)-c1ccccn1
N#Cc1cccc(c1)N1CCc2nc(oc2C1)-c1ccccn1
Fc1cc(cc(c1)N1CCc2oc(nc2C1)-c1ccccn1)C#N
Fc1cc(cc(c1)N1CCc2nc(oc2C1)-c1ccccn1)C#N
O=C(N1CCc2nc(oc2C1)-c1ccccn1)c1cccc(c1)C#N
Fc1cc(cc(c1)N1CCn2cc(nc2C1)-c1ccccn1)C#N
Fc1cc(cc(c1)N1CCn2nc(nc2C1)-c1ccccn1)C#N
N#Cc1cccc(c1)N1CC2OC(=NC2C1)c1ccccn1 |c:13|
N#Cc1cccc(c1)N1CCCc2oc(nc2C1)-c1ccccn1
Fc1cc(cc(c1)N1CCCc2oc(nc2C1)-c1ccccn1)C#N
OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12
Fc1ccc(C2CCN(CC2)C(=S)COCc2ccncc2)c(Cl)c1
Clc1ccc(N2CCN(CCOCc3ccccc3)CC2)c(Cl)c1
Clc1ccc(N2CCN(CC2)C(=O)CCCc2ccncc2)c(Cl)c1
Clc1ccc(N2CCN(CC2)C(=O)CNCc2ccncc2)c(Cl)c1
CN(CC(=O)N1CCN(CC1)c1ccc(Cl)cc1Cl)Cc1ccncc1
Clc1ccc(N2CCN(CC2)C(=O)CSCc2ccccc2)c(Cl)c1
Clc1ccc(N2CCN(CC2)C(=O)CSc2ccccc2)c(Cl)c1
C[C@@H](OCc1ccncc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1F |r|
Fc1ccc(N2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
Fc1ccc(N2CCN(CC2)C(=O)COCc2ccccc2)c(Cl)c1
Cc1cc(Cl)ccc1N1CCN(CC1)C(=O)COCc1ccncc1
Clc1ccc(N2CCN(CC2)C(=O)COCc2ccc(s2)C#N)c(Cl)c1
Clc1ccc(N2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
Clc1ccc(N2CCN(CC2)C(=O)COCc2cscn2)c(Cl)c1
Fc1ccc(N2CCN(CC2)C(=O)COCc2ccccc2)c(F)c1
Clc1ccc(N2CCN(CC2)C(=O)COCc2ccccn2)c(Cl)c1
Clc1ccc(N2CCN(CC2)C(=O)COCc2cccs2)c(Cl)c1
Clc1ccc(cc1)N1CCN(CC1)C(=O)COCc1ccccc1
Fc1ccc(C2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
Clc1ccc(C2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
Clc1ccnc(c1)N1CCN(CC1)C(=O)COCc1ccccc1
Fc1cc(Cl)ccc1N1CCN(CC1)C(=O)COCc1ccncc1
Clc1ccc(cc1)C1CCN(CC1)C(=O)COCc1ccncc1
FC1(CCN(CC1)C(=O)COCc1ccncc1)c1ccc(Cl)cc1
Clc1ccc(N2CCN(CC2)C(=O)COCc2ccccc2)c(Cl)c1
Clc1ccc(N2CCN(CC2)C(=O)COCc2cccnc2)c(Cl)c1
Clc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
Fc1ccc(cc1)N1CCN(CC1)C(=O)COCc1ccccc1
Clc1ccc(N2CCN(CC2)C(=O)COCc2cncs2)c(Cl)c1
Clc1ccc(cc1)N1CCN(CC1)C(=O)COCc1ccncc1
CC1(CCN(CC1)C(=O)COCc1ccncc1)c1ccc(Cl)cc1
Clc1ccc(N2CCN(CC2)C(=O)COCc2ccncn2)c(Cl)c1
Clc1ccnc(c1)N1CCN(CC1)C(=O)COCc1ccncc1
Fc1ccc(N2CCN(CC2)C(=O)COCc2ccncc2)c(F)c1
Clc1ccc(N2CCN(CC2)C(=O)COCc2cnccn2)c(Cl)c1
FC1(CCN(CC1)C(=O)COCc1ccncc1)c1ccc(Cl)cc1Cl
Clc1cccc(c1)N1CCN(CC1)C(=O)COCc1ccccc1
O=C(COCc1ccccc1)N1CCN(CC1)c1ccccc1
Clc1ccc(N2CCN(CC2)C(=O)COCc2nccs2)c(Cl)c1
Clc1ccc(N2CCN(CC2)C(=O)COCc2ncccn2)c(Cl)c1
O=C(COCc1ccccc1)N1CCN(CC1)c1ccncc1
COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(C)cn1
COc1ccc(cc1C#Cc1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccncn1
COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1
COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccc(C)cn1
COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccccn1
COc1ccc(cc1C#Cc1nccs1)C(=O)N1CCN(CC1)c1ccccn1
COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1cnccn1
COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccncn1
COc1ccc(cc1C#Cc1cccc(C)n1)C(=O)N1CCN(CC1)c1ccccn1
Cc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1
COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccncn1
Cc1ccc(nc1)N1CCN(CC1)C(=O)c1cccc(c1)C#Cc1ccccc1
O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccn1
O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccc1
O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#CCc1ccccc1
Cc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1cnccn1
COc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
O=C(N1CCN(CC1)c1cnccn1)c1cccc(c1)C#Cc1ccccc1
Nc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
O=C(N1CCN(CC1)c1ccncn1)c1cccc(c1)C#Cc1ccccc1
Cc1ccc(cc1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
COc1ccc(cc1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
CCCn1c(nc2c(Cl)cccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CCCn1cc(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
CCCn1c(C)c(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
CCCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Clc1ccc(Nc2ncc(cc2Cl)-c2ncc3CCCCn23)cc1
Cc1cn(C)c(n1)-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
CCCn1c(nc2cc(Cl)ccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 |r|
CCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CC(C)Cn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CCCn1c(nc2ccc(Cl)cc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
O=C1NC(=O)c2cc(ccc12)C#Cc1ccccc1
O=C1CCOc2nc(ccc12)C#Cc1ccccc1
O=c1ccnc2cc(ccn12)C#Cc1ccccc1
O=C1CCc2cc(ccc12)C#Cc1ccccc1
Oc1coc2cc(ccc12)C#Cc1ccccc1
O=C1CCCc2cc(ccc12)C#Cc1ccccc1
O=C1CCOc2cc(ccc12)C#Cc1ccccc1
O=c1ccoc2cc(ccc12)C#Cc1ccccc1
O=C1NCc2cc(ccc12)C#Cc1ccccc1
O=C1NCCc2cc(ccc12)C#Cc1ccccc1
O=c1[nH]ccc2cc(ccc12)C#Cc1ccccc1
CN(C)c1ncc(cn1)C#Cc1ccccc1
CN(C)c1ncc(\C=C\c2ccccc2)cn1
CN(C)c1ccc(nn1)C#Cc1ccccc1
C1Cc2cc(cnc2N1)C#Cc1ccccc1
CN1CCc2cc(cnc12)C#Cc1ccccc1
Cn1cnc2cc(ccc12)C#Cc1ccccc1
Cn1cnc2cc(cnc12)C#Cc1ccccc1
Cn1cnc2cc(OC(=O)c3ccccc3)cnc12
CC(C)c1cc(on1)C#Cc1ccccc1
CN1CCOc2cc(cnc12)C#Cc1ccccc1
CN1CCOc2nc(ccc12)C#Cc1ccccc1
C1COc2cc(cnc2N1)C#Cc1ccccc1
C1COc2nc(ccc2N1)C#Cc1ccccc1
CC(=O)N1CCOc2nc(ccc12)C#Cc1ccccc1
CC(=O)N1CCOc2nc(OCc3ccccc3)ccc12
O=C1CCOc2cc(OCc3ccccc3)ccc12
Clc1cccc(COc2ccc3C(=O)CCOc3c2)c1
Fc1cccc(COc2ccc3C(=O)CCOc3c2)c1
O=C1CCOc2cc(OCc3cccc(c3)C#N)ccc12
Cc1cccc(COc2ccc3C(=O)CCOc3c2)c1
Fc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
O=C1CCOc2cc(COc3ccccc3)ccc12
O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1
O=C1CCOc2nc(ccc12)C#CC1CCCC1
O=C1CCOc2nc(ccc12)C#CC1CCCCC1
O=C1CCOc2nc(C=Cc3ccccc3)ccc12 |w:8.7|
O=C1CCOc2nc(CCc3ccccc3)ccc12
O=C1CCOc2nc(OCc3ccccc3)ccc12
O=C1CCOc2nc(COc3ccccc3)ccc12
C(Oc1ccccc1)c1cnc2NCCOc2c1
CN1CCOc2cc(OC(=O)c3ccccc3)cnc12
CN1CCOc2cc(COc3ccccc3)cnc12
CCN1CCOc2cc(COc3ccccc3)cnc12
COCCN1CCOc2cc(COc3ccccc3)cnc12
COC(=O)N1CCOc2cc(COc3ccccc3)cnc12
CS(=O)(=O)N1CCOc2cc(COc3ccccc3)cnc12
CC(=O)N1CCOc2cc(COc3ccccc3)cnc12
CN1CCOc2cc(\C=C\c3ccccc3)cnc12
CN1CCOc2cc(COC3CCCCC3)cnc12
Cc1cc(ccc1F)C#Cc1ccc2C(=O)NCCc2c1
Clc1ccccc1C#Cc1ccc2C(=O)NCCc2c1
Clc1ccc(cc1)C#Cc1ccc2C(=O)NCCc2c1
Clc1cccc(c1)C#Cc1ccc2C(=O)NCCc2c1
Fc1ccc(C#Cc2ccc3C(=O)NCCc3c2)c(F)c1
Fc1cccc(c1)C#Cc1ccc2C(=O)NCCc2n1
CC(C)CN1CCc2nc(ccc2C1=O)C#Cc1cccc(F)c1
CCCCN1CCc2nc(ccc2C1=O)C#Cc1cccc(F)c1
Fc1cccc(c1)C#Cc1ccc2C(=O)N(CC3CCC3)CCc2n1
O=C1N(CCc2ccccn2)C(=O)c2cc(ccc12)C#Cc1ccccc1
O=C1N(CCc2ccncc2)C(=O)c2cc(ccc12)C#Cc1ccccc1
O=C1N(CCN2CCOCC2)C(=O)c2cc(ccc12)C#Cc1ccccc1
Fc1cccc(c1)C#Cc1ccc2C(=O)NC(=O)c2c1
Fc1ccc(cc1F)C#Cc1ccc2C(=O)NC(=O)c2c1
Fc1ccc(cc1)C#Cc1ccc2C(=O)NC(=O)c2c1
Fc1ccccc1C#Cc1ccc2C(=O)NC(=O)c2c1
Fc1ccccc1C#Cc1ccc2C(=O)NCc2c1
Fc1cccc(c1)C#Cc1ccc2C(=O)NCc2c1
Fc1ccc(cc1)C#Cc1ccc2C(=O)NCc2c1
OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1
CN1CCc2nc(ccc2C1=O)C#Cc1cccc(F)c1
Fc1cccc(c1)C#Cc1ccc2C(=O)N(CC3CC3)CCc2n1
CN1CCc2cc(ccc2C1=O)C#Cc1ccccc1
CCCN1CCc2cc(ccc2C1=O)C#Cc1ccccc1
CCCCN1CCc2cc(ccc2C1=O)C#Cc1ccccc1
O=C1N(Cc2ccccc2)CCc2cc(ccc12)C#Cc1ccccc1
O=C1N(CC2CC2)CCc2cc(ccc12)C#Cc1ccccc1
O=C1N(CC2CCC2)CCc2cc(ccc12)C#Cc1ccccc1
O=C1N(CCN2CCC2)CCc2cc(ccc12)C#Cc1ccccc1
O=C1N(CCN2CCOCC2)CCc2cc(ccc12)C#Cc1ccccc1
Cc1ccccc1C#Cc1ccc2C(=O)NCCc2c1
Cc1cccc(c1)C#Cc1ccc2C(=O)NCCc2c1
Fc1ccc(cc1)C#Cc1ccc2C(=O)NCCc2c1
Fc1ccccc1C#Cc1ccc2C(=O)NCCc2c1
COc1ccc(cc1)C#Cc1ccc2C(=O)NCCc2c1
COc1cccc(c1)C#Cc1ccc2C(=O)NCCc2c1
O=C(COCc1ccccc1)N1CCN(CC1)c1ccccn1
FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)COCc1ccccc1
COc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
O=C(COCc1ccccc1)N1CCN(CC1)c1ccccc1C#N
COC(=O)c1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
[O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
O=C(COCc1ccccc1)N1CCN(CC1)c1ncccc1C#N
O=C(COCc1ccccc1)N1CCN(CC1)c1nccs1
O=C(COCc1ccccc1)N1CCN(CC1)c1nc2ccccc2s1
O=C(N1CCN(CC1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:15.16.21:22,THB:17:16:22:23.18.19,19:18:15:21.20.22,19:20:15:23.17.18|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CC1 |r|
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CC1 |r|
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCC1 |r|
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCC1 |r|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCCC1 |r|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1cccs1 |r|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 |r|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1cccc(F)c1 |r|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1ccc(F)cc1 |r|
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCCC1 |r|
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 |r|
Fc1cccc(c1)C(=O)N1CCCC[C@@H]1c1nc(no1)-c1cccc(F)c1 |r|
Fc1ccc(cc1)C(=O)N1CCCC[C@@H]1c1nc(no1)-c1cccc(F)c1 |r|
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1ccc(F)cc1F |r|
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCN1C(=O)C1CCC1 |r|
Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCN1C(=O)C1CCC1 |r|
Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CC1
Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CCCC1
Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CCCCC1
Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1cccs1
Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1ccc(F)c(F)c1
Fc1cccc(c1)C(=O)N1CCCC1c1nc(no1)-c1cccc(F)c1
Fc1ccc(cc1)C(=O)N1CCCC1c1nc(no1)-c1cccc(F)c1
Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1ccc(F)cc1F
O=C(C1CCC1)N1CCCC[C@H]1c1nc(no1)-c1cccs1 |r|
O=C(C1CCC1)N1CCCC[C@@H]1c1nc(no1)-c1cccs1 |r|
O=C(C1CCC1)N1CCCC[C@H]1c1nc(no1)-c1ccccn1 |r|
Clc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Clc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
Cc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
COc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
COc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Clc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CCC1
Cc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CCC1
Fc1ccc(cc1)-c1noc(n1)C1CCCN1C(=O)C1CCC1
Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1cccs1 |r|
O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(no1)-c1ccccn1 |r|
O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(no1)-c1cccs1 |r|
O=C(C1CCC1)N1CCC[C@H](C1)c1nc(no1)-c1ccccn1 |r|
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r|
Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
Clc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r|
Clc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r|
Cc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
COc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r|
COc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
Fc1ccc(C(=O)N2CCC[C@@H](C2)c2nc(no2)-c2ccccn2)c(F)c1 |r|
CN1CCc2nc(ccc2C1=O)C#Cc1cccc(Cl)c1
CN1CCc2nc(ccc2C1=O)C#Cc1ccc(Cl)cc1
COc1cccc(c1)C#Cc1ccc2C(=O)N(C)CCc2n1
CN1CCc2nc(ccc2C1=O)C#Cc1ccccn1
CN1CCc2nc(ccc2C1=O)C#Cc1cccs1
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccc1
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccc1C
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccc(C)c1
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccc1Cl
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccc(Cl)c1
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccc(Cl)cc1
COc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C(C)C
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccn1
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccs1
O=C1N(CCc2nc(ccc12)C#Cc1ccccn1)C1CCCC1
O=C1N(CCc2nc(ccc12)C#Cc1ccccn1)C1CCCCC1
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccc(C)cc1
O=C1N(CCc2nc(ccc12)C#Cc1ccccc1)C1CCCC1
Cc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
Cc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
Cc1ccc(cc1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
Clc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
Clc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
Clc1ccc(cc1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
COc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
O=C1N(CCc2nc(ccc12)C#Cc1cccnc1)C1CCCC1
O=C1N(CCc2nc(ccc12)C#Cc1cccs1)C1CCCC1
O=C1N(CCc2nc(ccc12)C#Cc1ccccc1)C1CCCCC1
Cc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
Cc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
Clc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
Clc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
O=C1N(CCc2nc(ccc12)C#Cc1cccnc1)C1CCCCC1
O=C1N(CCc2nc(ccc12)C#Cc1cccs1)C1CCCCC1
O=C(NC1CCCC1)c1ccc(nc1)C#Cc1ccccn1
O=C(NC1CCCC1)c1ccc(nc1)C#Cc1cccnc1
CC(C)NC(=O)c1ccc(nc1)C#Cc1ccccc1
CNC(=O)c1ccc(nc1)C#Cc1ccccc1
CN1CCc2nc(ccc2C1=O)C#Cc1ccccc1
CN1CCc2nc(ccc2C1=O)C#Cc1ccccc1C
CN1CCc2nc(ccc2C1=O)C#Cc1cccc(C)c1
CN1CCc2nc(ccc2C1=O)C#Cc1ccc(C)cc1
CN1CCc2nc(ccc2C1=O)C#Cc1ccccc1Cl
CN1CCc2nc(ccc2C1=O)C#Cc1cccnc1
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccnc1
Cc1ccc(cc1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
Clc1ccc(cc1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
COc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
Cc1nc(cs1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
Cc1nc(cs1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O
Cc1nc(cs1)C#Cc1cc(Cl)cc(c1)C#N
Cc1nc(cs1)C#Cc1cc(Br)cc(c1)C#N
Cc1nc(cs1)C#Cc1cc(I)cc(c1)C#N
Cc1nc(cs1)C#Cc1cc(F)cc(c1)[N+]([O-])=O
Cc1nc(cs1)C#Cc1cc(I)cc(c1)[N+]([O-])=O
Cc1nc(cs1)C#Cc1cc(F)cc(Br)c1
Cc1nc(cs1)C#Cc1cc(Br)cc(Br)c1
Cc1cccc(n1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
Cc1cccc(n1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O
Cc1cccc(n1)C#Cc1cc(Cl)cc(c1)C#N
Cc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
Cc1cccc(n1)C#Cc1cc(I)cc(c1)C#N
Cc1ccc(nc1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
Cc1ccc(nc1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O
Cc1ccc(nc1)C#Cc1cc(Cl)cc(c1)C#N
Cc1ccc(nc1)C#Cc1cc(F)cc(c1)C#N
Cc1ccc(nc1)C#Cc1cc(Br)cc(c1)C#N
[O-][N+](=O)c1cc(cc(c1)C#Cc1ccccn1)C#N
[O-][N+](=O)c1cc(Br)cc(c1)C#Cc1ccccn1
Clc1cc(cc(c1)C#Cc1ccccn1)C#N
Fc1cc(cc(c1)C#Cc1ccccn1)C#N
Ic1cc(cc(c1)C#Cc1ccccn1)C#N
[O-][N+](=O)c1cc(F)cc(c1)C#Cc1ccccn1
[O-][N+](=O)c1cc(I)cc(c1)C#Cc1ccccn1
Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Brc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Fc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2OCCOc2c1
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2OCOc2c1
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2scnc2c1
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2ncsc2c1
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2occc2c1
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2sccc2c1
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
COc1cc(ccc1F)-n1cnc2c3c(NCC=C)ccnc3sc2c1=O
Fc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC=C)c23)c1=O
CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCOc5c4)c3=O)c12
Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC#C)c23)c1=O
CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccccc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccncc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4cccc(Cl)c4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5scnc5c4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5ncsc5c4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5sccc5c4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
O=C(N1CCCC2(CCCCC2)C1)c1cccnc1
Cc1ccc(cc1)C(=O)N1CCCC2(CCCCC2)C1
O=C(Cc1cccs1)N1CCCC2(CCCCC2)C1
O=C(C1CCCCC1)N1CCCC2(CCCCC2)C1
O=C(C1CCCC1)N1CCCC2(CCCCC2)C1
O=C(C1CC1)N1CCCC2(CCCCC2)C1
O=C(N1CCN(CC1)c1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
O=C(N1CCN(CC1)c1ccncc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
O=C(N1CCCC2(CCCCC2)C1)c1ccco1
O=C(N1CCCC2(CCCCC2)C1)c1cccs1
O=C(N1CCCC2(CCCCC2)C1)c1cnc2ccccc2n1
O=C(CSc1ccccc1)N1CCCC2(CCCCC2)C1
O=C(N1CCN(CC1)c1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 |TLB:1:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
COCc1c(Cl)c(C)nc2oc(C(=O)c3ccc(F)cc3)c(N)c12
Nc1c(oc2ncc(Br)cc12)C(=O)c1ccc(F)cc1
Cc1cc(=O)[nH]c2oc(C(=O)c3ccc(F)cc3)c(N)c12
Cc1cc(c2c(N)c(oc2n1)C(=O)c1ccc(F)cc1)C(F)(F)F
Cc1cc(C)c2c(N)c(oc2n1)C(=O)c1ccc(F)cc1F
Cc1cc(C)c2c(N)c(oc2n1)C(=O)c1ccccc1
COc1ccccc1N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:14:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
Clc1ccccc1N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21|
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)C1CCC1
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cnccn1
Cc1cc(no1)C(=O)N1CCCC1c1ccc(nc1)-c1cccc(Cl)c1
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cncs1
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cccs1
Cc1cc(ncc1[C@H]1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1 |r|
Cc1cc(ncc1C1CC(F)CN1C(=O)c1cnccn1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CC(F)CN1C(=O)C1CCC1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CC(F)CN1C(=O)c1cncs1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CC(O)CN1C(=O)c1cnccn1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CC(O)CN1C(=O)C1CCC1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CC(O)CN1C(=O)c1nccs1)-c1cccc(Cl)c1
Cc1cc(ccn1)-c1cc(C)c(cn1)C1CCCN1C(=O)c1cnccn1
Cc1cc(ccn1)-c1cc(C)c(cn1)C1CCCN1C(=O)c1cncs1
Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cc(F)cc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cc(F)cc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cc(F)cc(F)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cc(F)cc(F)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cccc(F)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cccc(F)c1
CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1
COc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1
COc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cccc(Cl)c1
CN1CC(CC1=O)C(=O)N1CCCC1c1cnc(cc1C)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1ccncc1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cccnc1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1ccccn1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cncnc1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1ccncn1)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cccc(Cl)c1
Cc1cc(no1)C(=O)N1CCCC1c1cnc(cc1C)-c1cccc(Cl)c1
Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cccc(Cl)c1
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1nccs1
Oc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1
c1ccc(nc1)C#Cc1cccc(c1)C#Cc1ccccn1
c1ccc(nc1)C#Cc1ccc(cc1)C#Cc1ccccn1
c1ccc(\N=N/c2ccc(cc2)C#Cc2ccccn2)nc1
c1ccc(\N=N\c2cccc(c2)\N=N\c2ccccn2)nc1
Cc1cc(C)c(N)c(n1)C#Cc1cccc(F)c1
c1ccc(\N=N\c2cccc(c2)C#Cc2ccccn2)nc1
c1ccc(\N=N\c2ccc(cc2)\N=N\c2ccccn2)nc1
Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
COc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ccn(-c4ccc(F)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ccn(-c4ccc(cc4)C#N)c3=O)c12
CCc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
COc1ccc(cc1F)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
COc1ccc(c(F)c1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
CN(C)c1ccnc2sc3c(ccn(-c4ccc5ncsc5c4)c3=O)c12
N[C@@]1(C[C@@H](N(C1)C(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O |r|
N[C@@]1(C[C@@H](N(CCc2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2Cl)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(cc2)-c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2)C1)C(O)=O)C(O)=O
C[C@H](Nc1ccc(cc1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CCCc2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2Cl)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2c(Cl)cccc2Cl)C1)C(O)=O)C(O)=O
CCN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CC2CCCCC2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc3ccccc3c2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2cccc(Cl)c2)C1)C(O)=O)C(O)=O
CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(Cl)c(Cl)c2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CCC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2cccc3ccccc23)C1)C(O)=O)C(O)=O
Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1ccc(F)c(F)c1
Fc1ccc(cc1)S(=O)(=O)c1cnc2c(F)c(Cl)ccc2c1-c1ccc(Cl)cc1
Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1ccc(F)c(Cl)c1
Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1ccc(F)c(F)c1
Fc1cccc(c1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(F)cc(F)c1
Fc1cccc(c1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1ccc(F)c(Cl)c1
Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cccc(c1)C#N
Fc1ccc(cc1)S(=O)(=O)c1cnc2cc(Cl)ccc2c1-c1ccc(Cl)cc1
Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(F)cc(F)c1
Fc1ccc(cc1)-c1c(cnc2c(F)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Fc1ccc(cc1)-c1c(cnc2c(F)cccc12)S(=O)(=O)c1cc(F)cc(F)c1
Fc1ccc(cc1)-c1c(cnc2c(F)cccc12)S(=O)(=O)c1cccc(F)c1
Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Fc1ccc(cc1)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1
Fc1ccc(cc1)S(=O)(=O)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1
Fc1ccc(cc1)S(=O)(=O)c1cnc2ccc(F)cc2c1-c1ccc(Cl)cc1
COc1cncc(c1)C#Cc1ccccn1
COCc1cncc(c1)C#Cc1ccccn1
Clc1cccc(COc2cc(=O)n3CCOCc3n2)c1
Cc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)n1
Clc1cccc(COc2cc(=O)n3ccccc3n2)c1
O=c1cc(SCc2ccccn2)nc2ccccn12
CC(C)(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r|
CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12 |r|
CC(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12 |r|
Cc1csc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1 |r|
O=c1cc(OCc2cccc(c2)C#N)nc2COC[C@@H](Cc3ccccc3)n12 |r|
Cc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1 |r|
Clc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)c1 |r|
Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1 |r|
Clc1cccc(COc2cc(=O)n3CCCCc3n2)c1
Clc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)c1
O=c1cc(OCCC2CC2)nc2COC[C@@H](Cc3ccccc3)n12 |r|
O=c1cc(OCc2ccccn2)nc2COC[C@@H](Cc3ccccc3)n12 |r|
CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r|
COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N
N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
C[C@](N)(Cn1c(=O)[nH]oc1=O)C(O)=O
NC(C(O)=O)c1cc(O)cc(O)c1Cl
N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
NC1(CCc2cc(ccc12)P(O)(O)=O)C(O)=O
NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
NC(CC1c2ccccc2Sc2ccccc12)(C(O)=O)c1ccc(cc1)C(O)=O
CCOC(=O)C12CC1C(N=O)c1ccccc1O2
CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
N[C@@](CC1c2ccccc2Sc2ccccc12)([C@@H]1C[C@@H](C1)C(O)=O)C(O)=O |wU:19.24,17.20,1.0,wD:1.1,(-1.1,-9.45,;.38,-9.45,;.38,-10.93,;.4,-12.48,;-.94,-13.25,;-2.28,-12.5,;-3.62,-13.28,;-3.6,-14.82,;-2.27,-15.58,;-.94,-14.81,;.4,-15.58,;1.74,-14.79,;3.09,-15.58,;4.45,-14.79,;4.43,-13.22,;3.09,-12.45,;1.74,-13.24,;.35,-6.51,;1.36,-5.43,;.28,-4.43,;-.73,-5.52,;.23,-2.96,;1.48,-2.17,;-1.08,-2.26,;1.67,-8.73,;1.29,-6.9,;3.27,-8.08,)|
CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O
NC(C(O)=O)c1cccc(O)c1
N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O
N[C@]1(CCC2C[C@@H](C12)C(O)=O)C(O)=O
Cc1cc(ccc1C(N)C(O)=O)C(O)=O
Cc1csc(NC(=O)c2cc(Oc3cncc(F)c3)ccn2)n1
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1
Cc1cc(Oc2cnc(C)nc2)cc(n1)C(=O)Nc1ccc(F)cn1
CCc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Cc1csc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
Cc1csc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1cccc(F)n1
Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Cc1ccc(Oc2cc(C)nc(c2)C(=O)Nc2ccc(F)cn2)cn1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(Cl)cn1
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(Cl)cn1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1cc(F)ccn1
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cc(F)ccn1
FC(F)c1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(Oc2cncc(Cl)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
CCc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
Cc1cccnc1C#Cc1ccccc1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(Oc2cnc(nc2)C2CC2)cc(n1)C(=O)Nc1ccc(F)cn1
N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cc(F)cc(c1)C#N
Clc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1
Cc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1
Brc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1F
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cccc(F)c1
Fc1ccc(cc1)C(=O)N1CCc2oc(nc2C1)-c1ccc(F)cn1
COc1cccc(c1)C(=O)N1CCc2oc(nc2C1)-c1ccc(F)cn1
Cc1cc(Cl)cc(c1)C(=O)N1CCc2oc(nc2C1)-c1ccc(F)cn1
Cc1cccc(n1)C#CCOc1ccc(Cl)c(Cl)c1
Cc1cccc(n1)C#CCOc1ccccc1
Cc1cccc(n1)C#CCOc1cccnc1
COc1cccc(OCC#Cc2cccc(OC)n2)c1
CCC([O-])(C[O-])c1cc(F)cc(OCC#Cc2ccccn2)c1
CC(C)c1ccc(OCC#Cc2cccc(C)n2)cc1
Cc1cccc(n1)C#CCOc1ccc(Cl)cc1
COc1ccc(OCC#Cc2cccc(C)n2)cc1
Cc1cccc(n1)C#CCOc1ccc2CCCCc2c1
Cc1ccc(OCC#Cc2cccc(C)n2)cn1
Cc1ccc(OCC#Cc2cccc(C)n2)cc1
COc1cccc(OCC#Cc2ccncc2)c1
COc1cccc(OCC#Cc2nccs2)c1
COc1cccc(OCC#Cc2cnccn2)c1
COC(=O)c1cncc(OCC#Cc2cccc(C)n2)c1
COc1cccc(OCC#Cc2ncccc2C)c1
Cc1cccc(n1)C#CCOc1cccc(Cl)c1
COc1cccc(OCC#Cc2ccc(C)cn2)c1
Cc1cccc(n1)C#CCOc1ccccc1Cl
COc1cccc(OCC#Cc2cc(C)ccn2)c1
Cc1cccc(n1)C#CCOc1cc(=O)[nH]c2ccccc12
Cc1cccc(n1)C#CCOc1cccc(c1)[N+]([O-])=O
COc1cccc(OCC#Cc2ccccn2)c1
COc1cccc(OCC#Cc2cccc(C)n2)c1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1
O=C(N1CCc2oc(nc2C1)-c1ccc(cn1)C#N)c1ccccc1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cccc(Cl)c1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cc(F)cc(Cl)c1
CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2
NC([C@@H]1[C@@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Cc1ccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c2c1C
Clc1ccc(NC(=O)c2ccccn2)c(\C=C\C(=O)c2ccccc2)c1
Clc1ccc(NC(=O)c2ccccn2)c(CCC(=O)c2ccccc2)c1
Cc1ccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c2c1C
COc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
COc1ccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c2c1OC
Fc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
CCOc1cccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c12
COc1ccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c2c1OC
Fc1ccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c2c1
O=C(Nc1ccccc1CN1C(=O)c2ccccc2C1=O)c1ccccn1
Fc1cccc(NC(=O)c2ccccn2)c1CN1C(=O)c2ccccc2C1=O
CCN(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C(=O)c1cc(Cl)cc(Cl)c1
Fc1ccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c2c1
CCOc1cccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c12
Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(Cl)c3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncnc3)cn3cnnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cc(F)cnc3F)cn3ncnc23)nc1
Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1
COc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3F)cn3ncnc23)nc1
Fc1cncc(Oc2cc(C(=O)Nc3cccc(F)n3)c3nccn3c2)c1
Cc1nc2c(cc(Oc3cncc(F)c3)cn2n1)C(=O)Nc1ccc(F)cn1
Fc1ccc(NC(=O)c2cc(Oc3cncnc3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cnc(F)c(F)c3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(c3)C#N)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
FC(F)Oc1cncc(Oc2cc(C(=O)Nc3ccc(F)cn3)c3ncnn3c2)c1
Cc1nnc2c(cc(Oc3cncc(F)c3)cn12)C(=O)Nc1ccc(F)cn1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3cnnc23)nc1
CN(C)C(=O)c1cc2C(=O)CC(C)(C)Cc2nc1NC1CCCC1
CC1(C)CC(=O)c2cc(Br)c(nc2C1)N1CCN(CC1)c1ccc(F)cc1
CC1(C)CC(=O)c2ccc(NCc3ccccc3)nc2C1
CC1(C)CC(=O)c2ccc(OCc3ccccc3)nc2C1
CN(Cc1ccccc1)c1nc2CCCC(=O)c2cc1C#N
CC1(C)CC(=O)c2cc(C#N)c(SCc3ccccc3)nc2C1
O=C1CCCc2nc(OCc3ccccc3)ccc12
CC1(C)CC(=O)c2cc(Br)c(NC3CCCC3)nc2C1
CC1(C)CC(=O)c2cc(C#N)c(NC3CCCC3)nc2C1
CCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1NCc1ccccc1
O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCC1
CC1CCN(CC1)c1c(cnc2ccccc12)S(=O)(=O)c1ccccc1
O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCCC1
CCN(CC)c1c(cnc2ccccc12)S(=O)(=O)c1ccc(C)cc1
CC1CCN(CC1)c1c(cnc2cc(Cl)ccc12)S(=O)(=O)c1cc(F)cc(F)c1
OCC1CCN(CC1)c1c(cnc2cc(Cl)ccc12)S(=O)(=O)c1cccc(Cl)c1
CC1CCN(CC1)c1c(cnc2ccc(F)cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
CC1CCN(CC1)c1c(cnc2ccc(Cl)cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
CC1CCN(CC1)c1c(cnc2ccc(C)cc12)S(=O)(=O)c1cccc(F)c1
CC1CCN(CC1)c1c(cnc2ccc(Cl)cc12)S(=O)(=O)c1ccc(Cl)cc1
OCC1CCN(CC1)c1c(cnc2cc(Cl)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
COC(=O)c1c(N)sc(c1C)-c1ccccc1
Nc1nc(cs1)C#Cc1cccc(c1)C#N
Nc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Nc1nc(cs1)C#Cc1cccc(CC#N)c1
COc1cccc(c1)C#Cc1csc(N)n1
Clc1nc(cs1)C#Cc1cccc(c1)C#N
Fc1cc(cc(c1)C#Cc1csc(Cl)n1)C#N
Clc1nc(cs1)C#Cc1cccc(CC#N)c1
COc1cccc(c1)C#Cc1csc(Cl)n1
Brc1nc(cs1)C#Cc1cccc(c1)C#N
Fc1cc(cc(c1)C#Cc1csc(Br)n1)C#N
Brc1nc(cs1)C#Cc1cccc(CC#N)c1
COc1cccc(c1)C#Cc1csc(Br)n1
Ic1nc(cs1)C#Cc1cccc(c1)C#N
Fc1cc(cc(c1)C#Cc1csc(I)n1)C#N
Ic1nc(cs1)C#Cc1cccc(CC#N)c1
COc1cccc(c1)C#Cc1csc(I)n1
Fc1nc(cs1)C#Cc1cccc(c1)C#N
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Fc1nc(cs1)C#Cc1cccc(CC#N)c1
COc1cccc(c1)C#Cc1csc(F)n1
Fc1nc(cs1)C#Cc1ccccc1
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(F)cc1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)cc1 |r|
COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccccc1 |r|
CCOc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
COc1ccc(cc1F)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Br)cc1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)c(Cl)c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(cc1)C(C)(F)F |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(O)cc1 |r|
FC(F)(F)c1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:13|
Clc1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:10|
Brc1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:10|
Fc1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:10|
Cc1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:10|
O=C(NC1=NC(=O)CCN1)Nc1cccc(c1)C#N |t:3|
CN1CCC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:6|
CN1CCC(=O)N=C1NC(=O)Nc1cccc(Br)c1 |c:6|
CN1CCC(=O)N=C1NC(=O)Nc1cccc(F)c1 |c:6|
CN1CCC(=O)N=C1NC(=O)Nc1cccc(C)c1 |c:6|
CN1CCC(=O)N=C1NC(=O)Nc1cccc(c1)C(F)(F)F |c:6|
CN1CCC(=O)N=C1NC(=O)Nc1cccc(c1)C#N |c:6|
CCN1CCC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:7|
CN1CCC(=O)N=C1NC(=S)Nc1cccc(Cl)c1 |c:6|
Cn1ccc(=O)nc1NC(=O)Nc1cccc(Cl)c1
O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|
COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1cc(NC(C)C)ncn1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCF)cc1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1
Cc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
COc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Clc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Clc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
COc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Cc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Clc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccccc1Cl
Fc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
COc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Clc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
Cc1ccc(cc1C)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1ccccc1
Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(F)c1
Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
COc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(c1)C(F)(F)F
Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1ccccn1
Cc1cccc(n1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Fc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
Fc1ccc(cc1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
Cc1cccc(n1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(F)c1
Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(C)c1
Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(c1)C(F)(F)F
Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1ccccc1
O=C1CC(CN1c1ccccc1)c1nc(no1)-c1ccccc1
Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(C)c(Cl)c1
Fc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
Clc1cccc(c1)-c1noc(Cn2c3ccccc3sc2=O)n1
Clc1cccc(c1)-c1noc(Cn2c3ccccc3oc2=O)n1
Clc1cccc(c1)-c1noc(CN2C(=O)COc3ccccc23)n1
Clc1cccc(c1)-c1noc(CCN2C(=O)COc3ccccc23)n1
Clc1cccc(c1)-c1noc(CCN2C(=O)CCc3ccc(Cl)cc23)n1
Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Fc1ccc(CN2CC(CC2=O)c2nc(no2)-c2cccc(Cl)c2)cc1
C[C@@H](N1C[C@@H](CC1=O)c1nc(no1)-c1cccc(Cl)c1)c1ccccc1 |r|
CC(C)CN1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
COc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
O=C(Nc1ccccn1)c1nccc2cc[nH]c12
Cc1cc2cc[nH]c2c(n1)C(=O)Nc1ccccn1
Cc1cccc(NC(=O)c2nccc3cc[nH]c23)n1
Cc1cccc(NC(=O)c2nc(C)cc3cc[nH]c23)n1
Cc1csc(NC(=O)c2nc(C)cc3cc[nH]c23)n1
Cc1cc2cc[nH]c2c(n1)C(=O)Nc1ccn(C)n1
Cc1cnc(NC(=O)c2nc(C)cc3cc[nH]c23)[nH]1
Cc1cccc(NC(=O)c2nc(C)cc3cc([nH]c23)-c2cccnc2)n1
Cc1cccc(NC(=O)c2nc(C)c(C)c3cc[nH]c23)n1
CC(=O)c1c(C)nc(C(=O)Nc2cccc(C)n2)c2[nH]ccc12
Cc1cccc(NC(=O)c2nc(C)c(-c3ccccn3)c3cc[nH]c23)n1
Cc1cccc(NC(=O)c2nccc3c(c[nH]c23)-c2ccccn2)n1
Cc1cccc(NC(=O)c2nc(C)cc3c(c[nH]c23)-c2ccccn2)n1
Cc1cc2c(c[nH]c2c(n1)C(=O)Nc1ccn(C)n1)-c1ccccn1
Cc1cnc(NC(=O)c2nc(C)cc3c(c[nH]c23)-c2ccccn2)[nH]1
CCn1ccnc1-c1c[nH]c2c(nc(C)cc12)C(=O)Nc1ccn(C)n1
Fc1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Fc1cccc(c1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Fc1ccccc1C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(F)cc1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1cccc(F)c1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccccc1F
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1
Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(Cl)cc1
Cc1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1
Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(F)c(F)c1
Cc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Clc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Fc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Cc1cccc(c1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Cc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1ccc(Cl)cc1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1ccc(F)cc1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1cccc(C)c1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCCC1
CC1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1 |(7.94,-3.35,;7.18,-2.01,;5.63,-1.99,;4.87,-.66,;5.66,.68,;7.19,.67,;7.96,-.67,;4.89,2.02,;5.67,3.35,;3.35,2.02,;2.26,.93,;1.18,2.03,;2.27,3.11,;-.36,2.04,;-1.25,.78,;-2.72,1.24,;-2.74,2.78,;-1.28,3.27,;-3.96,.32,;-3.95,-1.23,;-5.29,-2,;-6.62,-1.23,;-6.62,.31,;-7.96,1.08,;-5.29,1.08,)|
CC1CCCC(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(CC1)C(F)(F)F |(-8.72,1.75,;-7.38,.98,;-7.38,-.57,;-6.05,-1.34,;-4.71,-.57,;-4.72,.98,;-6.05,1.75,;-3.48,1.9,;-3.5,3.44,;-2.04,3.94,;-1.12,2.7,;-2.01,1.44,;.42,2.7,;1.5,1.6,;2.59,2.68,;1.51,3.78,;4.13,2.68,;4.91,4.01,;4.9,1.34,;4.11,0,;4.87,-1.33,;6.41,-1.34,;7.2,-.01,;6.43,1.34,;7.18,-2.68,;6.4,-4.01,;8.72,-2.69,;7.94,-4.01,)|
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCC1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCOC1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCO1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCOCC1
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(F)(F)CC1
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCCC1
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC1
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCO1
FC1(F)CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
CC1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1 |(7.93,-3.35,;7.17,-2.01,;5.63,-2,;4.87,-.66,;5.66,.68,;7.19,.67,;7.96,-.68,;4.89,2.01,;5.67,3.35,;3.35,2.02,;2.26,.93,;1.18,2.03,;2.27,3.11,;-.36,2.04,;-1.25,.78,;-2.72,1.23,;-2.74,2.77,;-1.28,3.27,;-3.96,.32,;-3.95,-1.23,;-5.29,-2,;-6.62,-1.23,;-6.62,.31,;-7.96,1.08,;-5.29,1.08,)|
CC1CCCC(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
FC(F)(F)C1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1 |(6.39,-4.01,;7.17,-2.68,;8.71,-2.69,;7.93,-4.01,;6.41,-1.34,;4.87,-1.33,;4.11,0,;4.9,1.34,;6.43,1.33,;7.2,-.01,;4.13,2.68,;4.91,4.01,;2.6,2.68,;1.5,1.6,;.42,2.7,;1.51,3.78,;-1.12,2.7,;-2.01,1.44,;-3.48,1.9,;-3.5,3.44,;-2.04,3.93,;-4.72,.98,;-4.71,-.57,;-6.05,-1.34,;-7.38,-.57,;-7.38,.98,;-8.71,1.75,;-6.05,1.75,)|
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC2(CCC2)CC1
Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCCC1
CC1CCCCC1C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1
Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(F)(F)CC1
CC1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1 |(7.94,-3.35,;7.18,-2.01,;5.63,-1.99,;4.87,-.66,;5.66,.68,;7.19,.67,;7.95,-.67,;4.89,2.02,;5.67,3.35,;3.35,2.02,;2.26,.93,;1.18,2.03,;2.27,3.11,;-.36,2.04,;-1.25,.78,;-2.72,1.24,;-2.74,2.78,;-1.28,3.27,;-3.96,.32,;-3.95,-1.23,;-5.29,-2,;-6.62,-1.23,;-6.62,.31,;-7.95,1.08,;-5.29,1.08,)|
Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(CC1)C(F)(F)F |(-8.72,1.75,;-7.38,.98,;-7.38,-.57,;-6.05,-1.34,;-4.71,-.57,;-4.72,.98,;-6.05,1.75,;-3.48,1.9,;-3.5,3.44,;-2.04,3.94,;-1.12,2.7,;-2.01,1.44,;.42,2.7,;1.5,1.6,;2.59,2.68,;1.51,3.78,;4.13,2.68,;4.9,4.01,;4.9,1.34,;4.11,0,;4.87,-1.33,;6.42,-1.34,;7.19,-.01,;6.43,1.34,;7.18,-2.68,;6.4,-4.01,;8.72,-2.69,;7.93,-4.01,)|
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)N1CCCCC1
CC1CCN(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
CC1CCCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
FC1CCN(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
FC1CCCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
COC1CCN(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
COC1CCCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
CC1CN(CC(C)O1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)N1CCCCCC1
CC1CCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Fc1ccc(CC(=O)N2CC[C@H]2c2nc(no2)-c2cccc(F)c2)cc1 |r|
Fc1cccc(CC(=O)N2CC[C@H]2c2nc(no2)-c2cccc(F)c2)c1 |r|
Fc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccccc1F |r|
Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccccc1F |r|
Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccc(F)c(F)c1 |r|
Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccc(cc1)C#N |r|
Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)Cc1ccc(F)cc1 |r|
O=C([C@H]1CC2CCC1C2)N1CC(C1)c1nc(no1)-c1ccccc1 |r,THB:1:2:8:5.6|
O=C([C@@H]1CC2CCC1C2)N1CC(C1)c1nc(no1)-c1ccccc1 |r,THB:1:2:8:5.6|
Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)[C@H]1CC2CCC1C2 |r,THB:16:18:24:21.22|
Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)[C@@H]1CC2CCC1C2 |r,THB:16:18:24:21.22|
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)[C@H]1CC2CCC1C2 |r,THB:16:18:24:21.22|
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)[C@@H]1CC2CCC1C2 |r,THB:16:18:24:21.22|
CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F
CCCCOc1ccc(cc1)C(=O)NC1CCCCC1
CCCCOc1ccc(cc1)C(=O)Nc1ncc(F)cc1F
CCCCOc1ccc(cc1)C(=O)NC1CCC1
CCCCOc1ccc(cn1)C(=O)Nc1ccc(F)cc1F
CCCCOc1ccc(cn1)C(=O)NC1CCCCC1
CCCCOc1ccc(cn1)C(=O)Nc1ccc(F)cn1
C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)cc1)C(C)(C)C |r|
CCCCCOc1ccc(cn1)C(=O)NC1CCCCC1
CCC(C)COc1ccc(cn1)C(=O)NC1CCCCC1
CC(C)CCOc1ccc(cn1)C(=O)NC1CCCCC1
O=C(NC1CCCCC1)c1ccc(OCC2CCCC2)nc1
O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1
Fc1cccc(COc2ccc(cn2)C(=O)NC2CCCCC2)c1
Fc1ccc(COc2ccc(cn2)C(=O)NC2CCCCC2)cc1
O=C(NC1CCOCC1)c1ccc(OCc2ccccc2)nc1
Fc1cccc(COc2ccc(cn2)C(=O)NC2CCOCC2)c1
O=C(NC1CCC1)c1ccc(OCc2ccccc2)nc1
Fc1cccc(COc2ccc(cn2)C(=O)NC2CCC2)c1
CC(C)(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1
C[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1 |r|
C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1 |r|
Fc1cccc(COc2ccc(cn2)C(=O)N[C@@H](C2CC2)C(F)(F)F)c1 |r|
CCO\N=C1/C=C(CCC1F)C#Cc1ccccn1 |c:5|
CCO\N=C1\C=C(CCC1F)C#Cc1cccc(C)n1 |c:5|
CCO\N=C1\C=C(CCC1F)C#Cc1ccccn1 |c:5|
CO\N=C1\C=C(CCC1F)C#Cc1cccc(C)n1 |c:4|
CO\N=C1\C=C(CCC1F)C#Cc1ccccn1 |c:4|
Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
N#Cc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccccn1
Fc1cc(F)cc(c1)-c1nc(no1)-c1ccccn1
NC(=O)c1ccccc1-c1nc(no1)-c1ccccn1
[O-][N+](=O)c1cccc(c1)-c1nc(no1)-c1ccccn1
Fc1cccc(c1)-c1nc(no1)-c1ccccn1
Brc1cccc(c1)-c1nc(no1)-c1ccccn1
FC(F)(F)Oc1cccc(c1)-c1nc(no1)-c1ccccn1
COc1cccc(c1)-c1nc(no1)-c1ccccn1
Cc1cccc(c1)-c1nc(no1)-c1ccccn1
Clc1ccc(cc1Cl)-c1nc(no1)-c1ccccn1
Clc1ccc(-c2nc(no2)-c2ccccn2)c(Cl)c1
Clc1cccc(-c2nc(no2)-c2ccccn2)c1Cl
Clc1ccc(cc1)-c1nc(no1)-c1ccccn1
Clc1ccccc1-c1nc(no1)-c1ccccn1
Clc1cccc(c1)-c1nc(no1)-c1ccccn1
Clc1cc(Cl)cc(c1)-c1nc(no1)-c1ccccn1
Cc1nc(cs1)-c1cccnc1
Fc1cc(cc(c1)-c1nc(no1)-c1cnccn1)C#N
Fc1cc(cc(c1)-c1nc(no1)-c1ncccn1)C#N
Fc1cc(cc(c1)-c1ccc(o1)-c1ccccn1)C#N
Fc1cc(cc(c1)-c1noc(n1)-c1ccccn1)C#N
Fc1cc(cc(c1)-c1nc(co1)-c1ccccn1)C#N
Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N
Cc1nc(C(=O)Nc2ccc(O)c(C)n2)c(Nc2cccnc2)s1
Cc1nc(C(=O)Nc2ccnc(C)c2)c(Nc2cncnc2)s1
Cc1nc(C(=O)Nc2cccc(CO)n2)c(Nc2cccnc2)s1
Cc1nc(C(=O)Nc2ccnc(C)c2)c(Nc2cccnc2)s1
Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncnc2)s1
Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2)s1
Cc1nc(C(=O)Nc2cccc(C)n2)c(Nc2cccnc2)s1
OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1ccc2C(=O)N(Cc2c1)C1CCCC1
COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(cc1)C#N
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(Cl)cc1
COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
CCN(C)c1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
CCNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
CNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
COc1ccc(cn1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
CN(C)c1ncnc2sc3c(ncn(C4CCCCC4)c3=O)c12
CSc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
CN(C)c1ncnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
CN(C)c1ncnc2sc3c(ncn(-c4ccc(OC(F)(F)F)cc4)c3=O)c12
CN(C)c1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
Fc1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1 |r|
CS(=O)(=O)N(CC(=O)Nc1ccc(F)nc1)c1ccccc1Cl
CS(=O)(=O)N(CC(=O)Nc1cccnc1F)c1ccccc1Cl
Fc1cccc(c1)C#Cc1ccc(cc1)S(=O)(=O)N1CCOCC1
CS(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1ccccn1
Cn1cnc(c1)S(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1cccc(Cl)c1
Fc1ccccc1S(=O)(=O)N1[C@@H](CCc2ccccc12)C(=O)Nc1cccc(Cl)c1 |r|
CCS(=O)(=O)N1[C@@H](CCc2ccccc12)C(=O)Nc1cccc(Cl)c1 |r|
CCCC(N(c1ccccc1Cl)S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1
CCC(N(c1ccccc1Cl)S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1
CC(N(c1ccccc1Cl)S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1
CS(=O)(=O)N(CC(=O)Nc1ccc(F)cn1)c1ccccc1Cl
CS(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1cccc(Cl)c1
N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O |r,wD:1.0,(-9.37,16.3,;-10.74,15.01,;-10.16,13.1,;-10.55,11.61,;-8.66,13.5,;-12.33,15.27,;-13.66,14.5,;-14.05,15.98,;-12.72,16.76,;-13.49,18.08,;-13.48,16.44,;-14.82,15.77,;-14.82,17.31,;-15.9,18.41,;-15.51,19.89,;-17.4,18.02,)|
C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 |r|
COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)|
C(C[C@@H](C(=O)O)N)CP(=O)(O)O
O=C1N(C2CCCC(=C2)C#Cc2ccccn2)C(=O)c2ccccc12 |c:7|
C1CC(C=C(C1)C#Cc1ccccn1)N1CCOCC1 |c:3|
CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(F)c1
CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(N)=O
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(N)=O
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1F
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C(F)(F)F
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C#N
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C#N
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(Cl)c1
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C#N
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C#N
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C#N
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1ccsc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1ccoc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1cnn(C)c1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1cnoc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccs1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccoc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cncn1C)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccccn1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccncc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccc(NS(C)(=O)=O)cc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccc(cc1)C#N)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccc(cc1)C(F)(F)F)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccc(F)cc1F)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1C(F)(F)F)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(=O)OC(C)(C)C)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(O)=O)C(F)(F)F
COc1cccc(c1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
Cc1cc2c(nc(C)cn2c1)C#Cc1ccsc1
Cc1cc2c(nc(C)cn2c1)C#Cc1cccnc1
Cc1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
CC1CCCN1C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
CC1CCC(C)N1C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCCC1(C)C
CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1 |THB:8:7:1.2:4,0:1:4:7.6|
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1C[C@H]2CC[C@@H]1C2 |THB:17:19:22.23:25|
CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(F)c1
CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(=O)N1CCOCC1
Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C(=O)N1CCOCC1
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(=O)N1CCOCC1
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(=O)N1CCCC1
Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C(=O)N1CCCC1
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(=O)N1CCCC1
Cc1cn2cc(cc2c(n1)C#Cc1cccc(NS(C)(=O)=O)c1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C#N)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(Br)c1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(Cl)c1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(F)(F)F
Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C#N
Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(F)cc1
Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(Cl)cc1
Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C(F)(F)F
Cc1cn2cc(CN3CCNC(=O)C3)cc2c(n1)C#Cc1ccccc1
CC(=O)N1CCN(Cc2cc3c(nc(C)cn3c2)C#Cc2ccccc2)CC1
CN1CCN(Cc2cc3c(nc(C)cn3c2)C#Cc2ccccc2)CC1
Cc1cn2cc(CN3CCCCC3)cc2c(n1)C#Cc1ccccc1
CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1
Cc1noc(n1)-c1cc2c(nc(C)cn2c1)C#Cc1ccccc1
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1
Cc1cc2c(nc(C)cn2c1)C#Cc1ccccc1
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C(=O)N1CCOCC1
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C(=O)N1CCCC1
CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C#N
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C(F)(F)F
FC(F)(F)c1cc2c(nccn2c1)C#Cc1ccccc1
Cc1cn2cccc2c(n1)C#Cc1cncc2ccccc12
Cc1cn2cccc2c(n1)C#Cc1cncnc1
Cc1cn2cccc2c(n1)C#Cc1cccc(O)c1
Cc1cn2cccc2c(n1)C#Cc1ccc(Br)cc1
Cc1cn2cccc2c(n1)C#Cc1ccc(Cl)cc1
Cc1cn2cccc2c(n1)C#Cc1ccc(F)cc1
Cc1cccc(c1)C#Cc1nc(C)cn2cccc12
Cc1cn2cccc2c(n1)C#Cc1ccccc1
Cc1ccc(N)c(n1)C#Cc1cccc(F)c1
CC1CCCCN1C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCC(F)(F)C1
CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCOCC1
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCCC1
CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(N)=O
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccnc1
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(Cl)cc1
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C#N
Cc1noc(C)c1-c1cccc(c1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1cn[nH]c1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1cccnc1)C(F)(F)F
CN(C)c1ccc(cc1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccc(F)cc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1Cl)C(F)(F)F
CC(=O)Nc1cccc(c1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccc(Cl)cc1)C(F)(F)F
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(F)(F)F
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(F)cc1
Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
Cc1ccc(s1)C(=O)N1CCCC1c1nnn(n1)-c1cccc(Cl)c1
Clc1cccc(c1)-n1nnc(n1)C1CCCN(C1)C(=O)c1cccs1
Fc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccc(Br)o1
Clc1cccc(c1)-n1nnc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Clc1cccc(c1)-n1nnc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
Cc1ccc(s1)C(=O)N1CSCC1c1nc(no1)-c1cccc(Cl)c1
Cc1ccc(s1)C(=O)N1CCCC1c1nc(no1)-c1cccc(C)c1
Clc1cccc(c1)-c1noc(n1)C1CSCN1C(=O)c1ccco1
Clc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1cccs1
Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCCC1
Cc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCCC1
Cc1ccc(o1)C(=O)N1CCCC1c1nnn(n1)-c1cccc(Cl)c1
CC(C)C(=O)N1CCCCC1c1nnn(n1)-c1cccc(Cl)c1
O=C(C1CCC1)N1CCCCC1c1nnn(n1)-c1cccc(c1)C#N
Cc1ccc(s1)C(=O)N1CCCC1c1nc(no1)-c1cccc(Cl)c1
Cc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCC1
COCC(=O)N1CCCC1c1nc(no1)-c1cccc(C)c1
O=C(N1CCCCC1c1nc(no1)-c1cccc(c1)C#N)c1cccs1
Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccco1
CCC(=O)Oc1ccc(cc1)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccc1C |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)c(Br)c1 |r|
CCCOc1ccccc1[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(Cl)ccc1OC |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)cc1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccc1OC |r|
CCC(=O)Oc1ccc(Cl)cc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(OC)ccc1OC |r|
CCOc1ccc(Br)cc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccc(C)n1 |r|
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)cc1OC |r|
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccs1 |r|
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(C)o1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1cccnc1 |r|
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccc(OC)c1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(C)s1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccn1 |r|
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2cc(Br)ccc2OC)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccccn2)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccc(SC)cc2)n1 |r|
COc1ccc([C@@H]2Oc3nc(SCC=C)nnc3-c3ccccc3N2C(C)=O)c(OC)c1OC |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccc(C)n1 |r|
CCC(=O)Oc1ccc(Br)c(c1)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2cccs2)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccco2)n1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1sccc1C |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc2OCOc2cc1Cl |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(OCc3ccccc3)c2)n1 |r|
CCCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccccc2F)n1 |r|
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccnc1 |r|
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1sccc1C |r|
CCCCSc1nnc-2c(O[C@@H](CC)N(C(C)=O)c3ccccc-23)n1 |r|
CCCSc1nnc-2c(O[C@@H](CC)N(C(C)=O)c3ccccc-23)n1 |r|
CCSc1nnc-2c(O[C@@H](C)N(C(C)=O)c3ccccc-23)n1 |r|
COc1ccc(cc1)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccc2F)n1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccc(C)s1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(Br)cc2)n1 |r|
CCOc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(Cl)cc2)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2cccn2C)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC)c(Br)c2)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC)cc2OC)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OCc3ccccc3)cc2)n1 |r|
CCOc1cc(ccc1OC(C)=O)[C@@H]1Oc2nc(SCC)nnc2-c2ccccc2N1C(C)=O |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(Cl)ccc2OC(C)=O)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(Cl)cc2)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC(C)=O)cc2)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(C)c2OC(C)=O)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(cc2)N(C)C)n1 |r|
CCC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccccn1 |r|
CCSc1nnc-2c(O[C@@H](\C=C\c3ccco3)N(C(C)=O)c3ccccc-23)n1 |r|
CCC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1cccs1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(Br)ccc2OC)n1 |r|
CCCC(=O)N1[C@@H](Oc2nc(SCC)nnc2-c2ccccc12)c1cccs1 |r|
CCOc1cc(ccc1OC(=O)CC)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CCOC(=O)COc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CCCCOc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2cn(C(C)=O)c3ccccc23)n1 |r|
CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2ccc(OC(C)=O)c(OC)c2)n1 |r|
CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2cc3OCOc3cc2Br)n1 |r|
CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2ccccc2C)n1 |r|
CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2cccnc2)n1 |r|
CCCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2ccccc2OC(C)=O)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(OC(C)=O)ccc2Cl)n1 |r|
CCCOc1ccccc1[C@@H]1Oc2nc(SCC)nnc2-c2ccccc2N1C(C)=O |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccco2)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cn(C)c3ccccc23)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC(C)=O)c(Br)c2)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(C)n2)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccn2)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OCC=C)cc2)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(C)cc2)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(Oc3ccccc3)c2)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccc2C)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccsc2)n1 |r|
COc1ccc(OC)c(c1)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O |r|
CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(OC)c(OC)cc2Cl)n1 |r|
CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccn2C)n1 |r|
CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccsc2)n1 |r|
CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(C)n2)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccc2F)n1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)\C=C\c1cccs1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccccc1F |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)\C=C\c1ccccc1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1cccs1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccco1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccccc1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccccn1 |r|
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccc(OCC=C)cc1 |r|
CN(C)c1ccc(cc1)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccncc2)n1 |r|
CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccccc2OC)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(F)c2)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2c(C)[nH]c3ccccc23)n1 |r|
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccn2C)n1 |r|
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(C)s2)n1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(Br)s1 |r|
CCOc1cc(ccc1OC)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccc1Br |r|
CCOc1cc(cc(Br)c1OC)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC |r|
CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(F)c2)n1 |r|
CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccn2C)n1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)c(C)c1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(Br)c(OC)c(OC)c1 |r|
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2cccc(OC)c2)n1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccccc1F |r|
CCOc1cc(ccc1OC(C)=O)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
CC(=O)Oc1ccc(C)cc1[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(cc1)C(=O)OC |r|
CCOc1ccc(cc1OC)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
COc1cc(cc(Br)c1OC(C)=O)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccco1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(I)o1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(Cl)cc1 |r|
CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(Cl)c(OC)c(OC)c1 |r|
N#Cc1cccc(c1)C#Cc1cccc(n1)C#N
CCc1cccc(n1)C#Cc1cccc(c1)C#N
CCCCc1cccc(n1)C#Cc1cccc(c1)C#N
COc1cc(cc(c1)C#Cc1cccc(C)n1)C#N
Fc1cc(cc(c1)C#Cc1cccc(n1)C#N)C#N
OCc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
COc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
CC(=O)c1cccc(n1)C#Cc1cc(F)cc(c1)C#N
Fc1cc(cc(c1)C#Cc1cccc(F)n1)C#N
N#Cc1cncc(c1)C#Cc1cccc(n1)C#N
COc1cccc(n1)C#Cc1cncc(c1)C#N
OCc1cccc(n1)C#Cc1cccc(c1)C#N
COc1cccc(n1)C#Cc1cccc(c1)C#N
CC(=O)c1cccc(n1)C#Cc1cccc(c1)C#N
Fc1cccc(n1)C#Cc1cccc(c1)C#N
OCc1cccc(n1)C#Cc1cncc(c1)C#N
NC(=O)c1cc(F)cc(c1)C#Cc1cccc(n1)C#N
NC(=O)c1cccc(c1)C#Cc1cccc(n1)C#N
Brc1cccc2nc(ccc12)C#Cc1ccccn1
c1ccc(nc1)C#Cc1ccc2ccccc2n1
COc1cccc2nc(ccc12)C#Cc1cccnc1
COc1cccc2nc(ccc12)C#Cc1ccccc1
CN(C1CCCC(C1)N(C)C(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
CN(C1CCCC(C1)NC(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
Clc1cccc(NC(=O)[C@H]2CCC[C@@H](C2)NC(=O)c2ccccn2)c1 |r|
Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)C(=O)Nc1ccccn1 |r|
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)Cc1ccccn1 |r|
O=C(Nc1ccccn1)[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(c1)C#N |r|
Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1 |r,t:8|
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ncccn1 |r|
COc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Fc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Fc1ccccc1C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccc1 |r|
Clc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1ncccc1C#N
Cc1cccc(n1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccncc1 |r|
Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1 |r|
O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N |r|
Clc1cccc(c1)C1=NCC2(CCCC(C2)NC(=O)c2ccncc2)O1 |t:8|
Clc1cccc(c1)C1=NCC2(CCCC(C2)NC(=O)c2cccnc2)O1 |t:8|
Clc1cccc(c1)C1=NC[C@@]2(CCC[C@H](C2)NC(=O)c2ccccn2)O1 |r,t:8|
Cc1cccc(n1)C(=O)N[C@H]1CCC[C@]2(CN=C(O2)c2cccc(Cl)c2)C1 |r,c:17|
Cc1cccc(n1)C(=O)N[C@@H]1CCC[C@@]2(CN=C(O2)c2cccc(Cl)c2)C1 |r,c:17|
Cc1cccc(n1)C(=O)N[C@H]1CCC[C@@]2(CN=C(O2)c2cccc(Cl)c2)C1 |r,c:17|
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)C1CCCCC1 |r|
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cnccn1 |r|
CN(C)c1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
CN(C)c1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
COc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Fc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Cc1cccnc1C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Cc1ccnc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccnc1 |r|
O=C(N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1)c1ccccn1 |r|
Fc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(F)c1 |r|
Clc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1cccc(Cl)c1
Cc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1 |r|
COc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1ccccn1
Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)c1ccccn1 |r|
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1 |r|
O=C(N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N |r|
O=C(N[C@@H]1CCC[C@@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N |r|
CC(C)c1cccc(n1)-c1c(NC(=O)C2CC2)snc1-c1ccc2nn(C)cc2c1
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2n[nH]cc2c1 |r|
CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2n[nH]cc2c1 |r|
CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2n[nH]cc2c1 |r|
CC[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCCC1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCC1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CC1)-c1ccc2nn(C)cc2c1 |r|
CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
CCCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2nn(C)cc2c1 |r|
CNc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
COc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C(F)F)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(CF)n1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(C)n1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1ccccn1)-c1ccc2nn(C)cc2c1 |r|
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(n1)C(F)(F)F
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(Cl)n1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cc(C)ccn1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(C)cn1
Cc1c(OCc2ccc(F)cc2)n(C)nc1C(=O)Nc1cccc(C)n1
Cc1c(OCC2CCCCC2)n(C)nc1C(=O)Nc1cccc(C)n1
Cc1c(OC2CCCCC2)n(C)nc1C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1C1CCCCC1)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1ccncc1)C(=O)Nc1cccc(C)n1
CN(C)c1ccc(cc1)-c1c(C)c(nn1C)C(=O)Nc1cccc(C)n1
COc1ccc(cc1)-c1c(C)c(nn1C)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1ccc(cc1)C(F)(F)F)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1ccc(C)cc1)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1cc(F)cc(F)c1)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1ccc(F)cc1F)C(=O)Nc1cccc(C)n1 |(61.97,-12.43,;61.98,-10.89,;63.24,-10,;62.78,-8.53,;61.24,-8.51,;60.34,-7.26,;60.75,-9.97,;59.28,-10.44,;58.16,-9.39,;56.69,-9.85,;56.35,-11.36,;54.88,-11.82,;57.5,-12.4,;58.96,-11.93,;60.1,-12.97,;64.7,-10.49,;65,-12,;65.85,-9.47,;67.31,-9.96,;67.61,-11.48,;69.07,-11.97,;70.23,-10.95,;69.92,-9.43,;71.07,-8.41,;68.46,-8.95,)|
Cc1c(nn(C)c1-c1ccc(F)c(F)c1)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1cccc(Cl)c1)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1
Cc1c(nn(C)c1-c1ccccc1)C(=O)Nc1cccc(C)n1
Cc1cccc(NC(=O)c2cc(-c3ccccc3)n(C)n2)n1
Cc1cccc(NC(=O)c2nn(C)c3ccccc23)n1
Cc1cccc(NC(=O)c2c3CCCCc3nn2C)n1
Cc1cccc(NC(=O)c2nn(C)c3CCCCc23)n1
Clc1cccc(NC(=O)c2noc3CCCc23)c1
Oc1ccc(Cl)cc1NC(=O)c1noc2CCCc12
CCc1c(nn(C)c1-c1ccccc1)C(=O)Nc1cccc(C)n1
Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1
Cc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)Nc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)Nc2ccc(F)c(C)n2)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)Nc2cccc(n2)C#N)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)Nc2cccc(n2)C(F)(F)F)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)cc1
Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(cc1)C(F)(F)F
COc1ccc(cc1)-n1c(C)nc(C(=O)Nc2cccc(C)n2)c1C
Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(F)c(Cl)c1
Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)c(Cl)c1
Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(F)cc1
Cc1csc(n1)C#Cc1cccnc1
Cc1cnc(NC(=O)c2nn(C)c(c2C)-c2ccc(F)cc2)s1
Cc1csc(NC(=O)c2nn(C)c(c2C)-c2ccc(F)cc2)n1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(Cl)n1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(F)c1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(Cl)c1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(C)c1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccncc1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(F)cn1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccn1
Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(F)c(C)n1
FC1(F)CCC(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(C1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(C1CCCO1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(C1CCOC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(C1CCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
COC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1 |(18.01,-6.37,;18,-4.83,;16.67,-4.06,;15.16,-4.46,;14.76,-2.98,;16.27,-2.6,;13.43,-2.21,;13.41,-.67,;12.09,-2.99,;12.1,-4.53,;10.76,-5.3,;9.43,-4.54,;7.97,-5.02,;7.06,-3.77,;7.96,-2.52,;9.43,-2.99,;10.75,-2.21,;5.52,-3.78,;3.98,-3.79,;2.43,-3.79,;1.66,-5.12,;.12,-5.12,;-.65,-3.79,;.12,-2.46,;1.66,-2.45,)|
Fc1ccc(cc1)C#Cc1nc2CCN(Cc2s1)C(=O)C1CC(F)(F)C1
Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C(=O)C1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
FC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1 |(78.62,-51.63,;77.28,-50.86,;75.78,-51.27,;75.37,-49.78,;76.88,-49.4,;74.04,-49.01,;74.03,-47.47,;72.7,-49.79,;72.71,-51.33,;71.38,-52.1,;70.04,-51.34,;68.58,-51.82,;67.67,-50.57,;68.57,-49.32,;70.04,-49.79,;71.36,-49.01,;66.13,-50.58,;64.59,-50.59,;63.05,-50.59,;62.28,-51.92,;60.74,-51.92,;59.97,-50.59,;60.73,-49.26,;62.28,-49.25,)|
CC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1cccc(F)c1 |(57.36,-50.98,;56.02,-50.21,;54.52,-50.62,;54.12,-49.14,;55.63,-48.75,;52.79,-48.36,;52.77,-46.82,;51.45,-49.14,;51.46,-50.68,;50.12,-51.45,;48.79,-50.69,;47.33,-51.17,;46.43,-49.92,;47.32,-48.68,;48.79,-49.15,;50.11,-48.37,;44.88,-49.93,;43.34,-49.94,;41.8,-49.94,;41.03,-48.61,;39.49,-48.61,;38.72,-49.94,;39.49,-51.27,;38.72,-52.6,;41.03,-51.27,)|
CC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1 |(35.48,-51.63,;34.15,-50.87,;32.64,-51.27,;32.24,-49.79,;33.75,-49.41,;30.91,-49.02,;30.89,-47.48,;29.57,-49.79,;29.58,-51.33,;28.24,-52.1,;26.91,-51.34,;25.45,-51.83,;24.54,-50.58,;25.44,-49.33,;26.91,-49.8,;28.23,-49.02,;23,-50.59,;21.46,-50.59,;19.92,-50.59,;19.15,-51.92,;17.61,-51.92,;16.84,-50.6,;17.6,-49.27,;19.15,-49.26,)|
O=C(C1CC11CCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
CC1CC1C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
C1CCC(CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
CC(C)CCN1CCc2nc(sc2C1)C#Cc1ccccc1
CCCCN1CCc2nc(sc2C1)C#Cc1ccccc1
CN1CCc2nc(sc2C1)C#Cc1cccc(F)c1
CN1CCc2nc(sc2C1)C#Cc1ccccc1
O=C1N(Cc2nc(sc12)C#Cc1ccccc1)C1CCCC1
O=C1NCCc2nc(sc12)C#Cc1cccnc1
Cc1cccc(c1)C#Cc1nc2CCNC(=O)c2s1
COc1ccccc1C#Cc1nc2CCNC(=O)c2s1
Fc1ccc(cc1)C#Cc1nc2CCNC(=O)c2s1
Fc1ccccc1C#Cc1nc2CCNC(=O)c2s1
Clc1cccc(c1)C#Cc1nc2CCNC(=O)c2s1
Fc1cccc(c1)C#Cc1nc2CCNC(=O)c2s1
CN1CCc2nc(sc2C1=O)C#Cc1ccccc1
O=C1NCCc2nc(sc12)C#Cc1ccccc1
FC1CN(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=S(=O)(N1CCOCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=S(=O)(N1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=S(=O)(C1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=S(=O)(N1CCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=S(=O)(C1CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
CN(C)S(=O)(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
CC(C)S(=O)(=O)N1Cc2nc(sc2C1)C#Cc1ccccc1
CC(C)S(=O)(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(C1CCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(C1CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
CCC(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
CC(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C1CCOC1
Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C1CCCC1
Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C1CCC1
CC(C)CN1CCc2nc(sc2C1)C#Cc1ccccc1
CCN1CCc2nc(sc2C1)C#Cc1cccc(F)c1
CCN1CCc2nc(sc2C1)C#Cc1ccccc1
O=C1N(Cc2nc(sc12)C#Cc1ccccc1)C1CC1
Cc1cc(no1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
CN1CCC(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(CC1CCOCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(C1CCCCO1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(C1CCOCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=S(=O)(N1Cc2nc(sc2C1)C#Cc1ccccc1)N1CCCCC1
Cc1nc(cs1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
CC1CCC(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1 |(56.6,-11.19,;55.27,-10.41,;53.93,-11.17,;52.6,-10.39,;52.61,-8.86,;53.94,-8.08,;55.28,-8.87,;51.28,-8.09,;51.27,-6.55,;49.95,-8.86,;49.95,-10.4,;48.62,-11.17,;47.29,-10.41,;45.83,-10.9,;44.92,-9.65,;45.81,-8.4,;47.28,-8.87,;48.61,-8.09,;43.38,-9.66,;41.84,-9.66,;40.29,-9.66,;39.52,-10.99,;37.98,-10.99,;37.22,-9.67,;37.98,-8.34,;39.52,-8.33,)|
Cc1cccc(n1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=S(=O)(C1CCCCC1)N1Cc2nc(sc2C1)C#Cc1ccccc1
CC1CCCC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
Cc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(N1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
FC1CCN(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
FC1(F)CCN(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(N1CCc2nc(sc2C1)C#Cc1ccccc1)c1cccc(c1)C#N
FC1(F)CCN(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
Fc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
COc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
FC1(F)CN(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C([C@H]1CC2CCC1C2)N1CCc2nc(sc2C1)C#Cc1ccccc1 |r|
FC(F)(F)c1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(N1CCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
Clc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
O=C(N1CCCCC1)c1cnc(s1)C#Cc1ccccc1
Cc1cccc(Nc2ncc3C(=O)C(C)(C)CCc3n2)c1
CC1CC(=O)c2cc(cnc2C1)C#Cc1ccccc1
CC1(C)CC(=O)c2cc(cnc2C1)C#Cc1ccccc1
O=C1CCCc2ncc(cc12)C#Cc1ccccc1
Clc1ccc(Nc2ncc3CCCCc3n2)cc1
Clc1cccc(Nc2ncc3CCCCc3n2)c1
Cc1ccc(Nc2ncc3C(=O)CCC(C)(C)c3n2)cc1
Cc1cccc(Nc2ncc3C(=O)CCC(C)(C)c3n2)c1
Cc1ccc(Nc2ncc3C(=O)C(C)(C)CCc3n2)cc1
CCCC1CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
CCC1CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
C[C@H]1CC[C@@H](CC1)Nc1ncc2C(=O)CC(C)Cc2n1 |r,wU:4.7,wD:1.0,(19.82,-24.85,;18.48,-25.61,;17.15,-24.84,;15.81,-25.61,;15.81,-27.15,;17.15,-27.92,;18.47,-27.16,;14.48,-27.92,;13.15,-27.15,;13.14,-25.61,;11.81,-24.85,;10.49,-25.61,;9.16,-24.84,;9.16,-23.3,;7.83,-25.61,;7.83,-27.15,;6.5,-27.93,;9.16,-27.92,;10.49,-27.15,;11.82,-27.92,)|
CC1CC(=O)c2cnc(Nc3ccc(C)nc3)nc2C1
CC1CC(=O)c2cnc(Nc3ccc(Cl)nc3)nc2C1
CC1CC(=O)c2cnc(Nc3ccc(Cl)cn3)nc2C1
CC1CC(=O)c2cnc(Nc3ccc(OC(F)F)cc3)nc2C1
COc1ccc(Nc2ncc3C(=O)CC(C)Cc3n2)cc1
CC1CC(=O)c2cnc(Nc3ccc(C#N)c(F)c3)nc2C1
CC1CC(=O)c2cnc(Nc3ccc(cc3)C#N)nc2C1
CC1CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
CC1CC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C1
CC1CC(=O)c2cnc(Nc3ccccc3Cl)nc2C1
CC1CC(=O)c2cnc(Nc3ccc(C)cc3)nc2C1
CC1(C)CC(=O)c2cnc(Nc3ccc(cc3)C#N)nc2C1
CC1(C)CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
Cc1ccc(Nc2ncc3C(=O)CC(C)(C)Cc3n2)cc1
Fc1cc(Nc2ncc3C(=O)CCCc3n2)cc(c1)C#N
O=C1CCCc2nc(Nc3cccc(c3)C#N)ncc12
Clc1ccc(Nc2ncc3C(=O)CCCc3n2)cc1
Clc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
Clc1ccccc1Nc1ncc2C(=O)CCCc2n1
Fc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
Cc1cc(C)cc(Nc2ncc3C(=O)CCCc3n2)c1
Cc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
Fc1ccc(Nc2nc3CCCCc3s2)cc1
O=C(N1CCC2(CCCC2)C1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
[O-]C(=O)c1ccccc1
Oc1ccc2OC(=O)CCc2c1
O=C1N(CCc2nc(COc3ccccc3)sc12)c1ccccn1
O=C1N(CCc2nc(COc3ccccc3)sc12)c1cccnc1
CN1CCc2nc(OCc3ccccc3)sc2C1=O
Fc1ccc(cc1)N1CCc2nc(OCc3ccccc3)sc2C1=O
O=C1N(CCc2nc(COc3ccccc3)sc12)c1ccncc1
Fc1ccc(nc1)N1CCc2nc(COc3ccccc3)sc2C1=O
CN1CCc2nc(COc3ccccc3)sc2C1=O
CCN1CCc2nc(COc3ccccc3)sc2C1=O
Fc1cccnc1N1CCc2nc(COc3ccccc3)sc2C1=O
CC(C)N1CCc2nc(COc3ccccc3)sc2C1=O
COCCN1CCc2nc(COc3ccccc3)sc2C1=O
O=C1N(CCc2nc(COc3ccccc3)sc12)C1CC1
O=C1N(CC2CC2)CCc2nc(COc3ccccc3)sc12
O=C1N(CC2CCOCC2)CCc2nc(COc3ccccc3)sc12
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)sc2C1=O
Fc1ccc(N2CCc3nc(COc4ccccc4)sc3C2=O)c(F)c1
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3F)sc2C1=O
Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)sc2C1=O
Fc1ccc(OCc2nc3CCN(C(=O)c3s2)c2ccc(F)cc2)cc1
O=C1CCCc2nc(sc12)C#Cc1ccccc1
COCCN1CCc2nc(sc2C1=O)C#Cc1ccccc1
Cn1cnc2ccc(cc12)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
CN1CCOc2cc(ccc12)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
COc1cc(ccc1C)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
Cc1cc(cc(C)c1F)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
CCOc1ccc(cc1)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
Cc1cc(ccc1Cl)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
Cc1ccc(cc1)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
Fc1ccc(cc1)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
Cc1cccc(c1)-c1cn(CC(=O)N2CCN(CC2)c2ccccn2)c(n1)-c1ccccc1
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ccccn2)c(n1)C1CCCCC1
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2cccnn2)c(n1)-c1ccccc1
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ncc(F)cn2)c(n1)-c1ccccc1
COc1cnc(nc1)N1CCN(CC1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ccccn2)c(n1)-c1ccc(F)cc1
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ccccn2)c(n1)-c1ccccc1
COc1ccnc(c1)N1CCN(CC1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
Cc1nc2CN(CCc2o1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(C(=O)C2)c2cccc(c2)C#N)c(n1)-c1ccc(F)cc1
Cc1nc2CN(Cc2s1)C(=O)Cn1cc(nc1-c1ccc(F)cc1)-c1ccc(F)c(C)c1
CC1=NC2CCN(CC2O1)C(=O)Cn1cc(nc1-c1ccc(F)cc1)-c1ccc(F)c(C)c1 |t:1|
CC1=NC2CCN(CC2O1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1 |t:1|
CC(=O)Nc1nc2CCN(CCc2s1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCc3nc(N)sc3CC2)c(n1)-c1ccccc1
Cc1nc2CCN(CCc2s1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2
CC(C)(C)c1nnc2C[C@H](CCn12)c1nc(no1)-c1ccc(F)cc1 |r|
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cn2ccccc2n1 |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1C[C@@H]2CCCC(O)(C#Cc3cccc(C)c3)[C@@H]2C1 |r|
COC(=O)N1C[C@H]2CC(O)(C[C@H]2C1)C#Cc1cccc(C)c1 |r|
COC(=O)N1C[C@@H]2COC[C@H](C1)[C@@]2(O)C#Cc1cccc(C)c1 |r,TLB:2:4:12:9.8.7|
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1ccc(F)cc1 |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1[C@H]2CCC[C@H]1CC(O)(C2)C#Cc1cccc(C)c1 |r,TLB:2:4:11.10.13:6.8.7|
COC(=O)N1CC2CCC(O)(CC2C1)C#Cc1cccc(C)c1
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)n1 |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1CCC2(CC(O)(CO2)C#Cc2cccc(C)c2)CC1
Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O |r,TLB:18:17:16.9.11:13.14|
CC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,TLB:1:3:8.9.11:5.6|
COC(=O)N1CCC(O)(CC11CCC1)C#Cc1cccc(C)c1
Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C |r,TLB:18:17:16.9.11:13.14|
COC(=O)N1CCC2(CC(O)(C2)C#Cc2cccc(C)c2)CC1
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1ccccc1 |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)C2CCCCC12
Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)N1CCC1 |r,TLB:18:17:16.9.11:13.14|
COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)[C@H]2CCC[C@@H]12 |r|
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(c1)C#N |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1CC(F)(F)C(O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@H]12 |r|
Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2c1ncccc1C#N |r,TLB:18:17:16.9.11:13.14|
CN(C)C(=N/C#N)\N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,TLB:3:7:12.13.15:9.10|
COC(=O)N1[C@H]2CC[C@@H]1C[C@@](C2)(OC)C#Cc1cccc(C)c1 |r,TLB:2:4:9.10.11:6.7|
CN(C)C(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,TLB:3:5:10.11.13:7.8|
COC(=O)N1C[C@@H]2CCC(O)(C#Cc3cccc(C)c3)[C@@H]2C1 |r|
COC(=O)N1CCCCC11CCCC(O)(C1)C#Cc1cccc(C)c1
COC(=O)N1C[C@@H]2CC[C@H]1C[C@@]2(O)C#Cc1cccc(C)c1 |r,TLB:2:4:11.10:7.8|
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(OC)c1 |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(OC(F)F)c1 |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)C#Cc1cccc(C)c1 |r,TLB:2:4:9.10.11:6.7|
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(F)c1 |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(Cl)c1 |r,TLB:2:4:9.10.12:6.7|
COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@H]12 |r|
COC(=O)N1CCC2CC(O)(C#Cc3cccc(C)c3)C2C1
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,THB:2:4:10.12.9:7.6|
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,TLB:3:5:10.11.13:7.8|
COC(=O)N1[C@@H]2CC[C@@H]1CC(O)(C2)C#Cc1cccc(C)c1 |r,TLB:2:4:6.7:12.10.9,13:10:4:6.7,THB:11:10:4:6.7|
CCNC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12
C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 |r|
Cc1ccncc1-c1nn(C2CC2)c2nc(OCc3ccccn3)cnc12
CCn1nc(-c2cnccc2C)c2ncc(OCc3ccccn3)nc12
Cc1c(cnn1C)-c1nn(C)c2nc(OCc3ccccn3)cnc12
Cc1ccnnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Cc1c(Cl)cncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Cn1nc(-c2ncccc2OC(F)F)c2ncc(OCc3ccccn3)nc12
Cn1nc(-c2cnccc2C(F)(F)F)c2ncc(OCc3ccccn3)nc12
Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Cc1cccnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Cn1nc(-c2cccnc2)c2ncc(OCc3ccccn3)nc12
Cn1nc(-c2cccnc2)c2ccc(OCc3ccccn3)nc12
Cn1nc(-c2ccccn2)c2ccc(OCc3ccccn3)nc12
Cn1nc(-c2ccccc2)c2ccc(OCc3ccccn3)nc12
CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)cnc12
Cc1cc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)on1
Cn1nc(C(=O)N2CCOCC2)c2ccc(OCc3ccccn3)nc12
CCC(C)NC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12
Cc1nn(-c2cccc(c2)[N+]([O-])=O)c(=O)c2nocc12
Cc1ccc(cc1)-n1nc(C)c2conc2c1=O
COc1ccc(cc1)-n1nc(C)c2conc2c1=O
Cc1nn(-c2ccccc2)c(=O)c2nocc12
Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12
Cc1nn(-c2ccc(cc2)[N+]([O-])=O)c(=O)c2nocc12
Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12
Cc1csc(NC(=O)c2cc(cc3cccnc23)C(=O)c2cncnc2)n1
Fc1cccc(NC(=O)c2cc(cc3cccnc23)C(=O)c2cncnc2)n1
COc1cccc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)n1
Cc1cccc(NC(=O)c2cc(cc3cccnc23)C(=O)c2cncnc2)n1
Cc1csc(NC(=O)c2cc(cc3cccnc23)C(F)c2cncnc2)n1
CCc1cccc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)n1
COc1ccnc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)c1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cc3cccnc23)nc1
Fc1ccc(NC(=O)c2cc(cc3cccnc23)C(=O)c2cncnc2)nc1
FC(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1
Fc1ccc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)nc1
Cc1csc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)n1
COC(c1cncnc1)c1cc(C(=O)Nc2nc(C)cs2)c2ncccc2c1
CC(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1
CC(c1cncnc1)c1cc(C(=O)Nc2nc(C)cs2)c2ncccc2c1
Cc1cccc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)n1
FC(F)(c1cncnc1)c1cc(C(=O)Nc2ccc(cn2)C#N)c2ncccc2c1
Cc1ccnc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)c1
FC(F)(c1cncnc1)c1cc(C(=O)Nc2cc(ccn2)C#N)c2ncccc2c1
FC(F)(c1cncnc1)c1cc(C(=O)Nc2nc(cs2)C2CC2)c2ncccc2c1
Cc1csc(NC(=O)c2cc(cc3cccnc23)C(O)c2cccnc2)n1
COC(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1
Cc1ccc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)nc1
CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
CN(CCCCCCCCN=[N+]=[N-])CCCCCNC(=O)COc1cncc(c1)C#Cc1csc(C)n1
CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
C[C@@H](OC(=O)Nc1ccccc1)c1sc2ncnn2c1C |r|
C[C@@H](OC(=O)Nc1cccc(F)c1)c1sc2nncn2c1C |r|
CC(OC(=O)Nc1ccccc1)c1oc2ncnn2c1C
CC(OC(=O)Nc1cccc(Cl)c1)c1oc2ncnn2c1C
CC(OC(=O)Nc1ccc(Cl)c(Cl)c1)c1oc2ncnn2c1C
CC(OC(=O)Nc1ccccc1)c1oc2nc(Cl)nn2c1C
CC(OC(=O)Nc1ccccc1)c1oc2nc(nn2c1C)C1CC1
CC(OC(=O)Nc1ccccc1)c1oc2nc(nn2c1C)-c1ccc(F)cc1
CC(OC(=O)Nc1ccccc1)c1oc2nc(C)nn2c1C
CC(OC(=O)Nc1ccccc1)c1oc2nc(nn2c1C)C(F)(F)F
Cc1c(COC(=O)Nc2ccccc2)sc2ncnn12
CC(OC(=O)Nc1ccccc1)c1sc2nccn2c1C
CC(OC(=O)Nc1cccnc1)c1sc2ncnn2c1C
CC(OC(=O)Nc1cccc(F)c1)c1sc2nncn2c1C
CC(OC(=O)Nc1ccccc1)c1sc2nncn2c1C
CC(OC(=O)Nc1ccccc1)c1sc2ncnn2c1C
CC(OC(=O)Nc1cccc(F)c1)c1oc2ncnn2c1C
C[C@H](OC(=O)Nc1ccccc1)c1sc2ncnn2c1C |r|
CC(OC(=O)NC1CCCCC1)c1oc2ncnn2c1C
CC(OC(=O)Nc1ccccc1)c1oc2nc(nn2c1C)-c1cccs1
CC(OC(=O)Nc1ccccc1)c1cn2ncnc2s1
CC(OC(=O)N(C)c1ccccc1)c1sc2ncnn2c1C
CC(OC(=O)Nc1ccccc1Cl)c1oc2ncnn2c1C
O=C(Nc1ccccc1)OCc1cn2ncnc2s1
CC(OC(=O)Nc1ccc(Cl)cc1)c1oc2ncnn2c1C
O=C(Cc1ccc(cn1)C#N)c1nn2CCCCc2c1C#N
FC(F)(F)c1c2CCCCn2nc1C(=O)Cc1ccc(cn1)C#N
O=C(Nc1ccc(cn1)C#N)c1cc2ccccn2n1
O=C(Cc1ccc(cn1)C#N)c1cc2CCCCn2n1
Clc1ccc(NC(=O)c2cc3CCCCn3n2)nc1
O=C(Nc1ccc(cn1)C#N)c1cc2CCCCn2n1
Oc1cccnc1NC(=O)c1cc2CCCCn2n1
Cc1cccc(COc2cc3CCCCn3n2)c1
Clc1ccc(COc2cc3CCCCn3n2)nc1
Clc1ccnc(COc2cc3CCCCn3n2)c1
C(Oc1cc2CCCCn2n1)c1ccccn1
COc1cccc(c1)-c1cc2CCCCn2n1
FC(F)(F)c1cccc(c1)-c1cc2CCCCn2n1
C1CCn2nc(cc2C1)-c1ccccc1
Cc1cccc(n1)-c1cc2CCCCn2n1
Cc1ccc(nc1)-c1cc2CCCCn2n1
Clc1ccnc(c1)-c1cc2CCCCn2n1
C1CCn2nc(cc2C1)-c1ccccn1
Fc1ccc(NC(=O)c2cc3CCCCn3n2)nc1
Clc1cccc(n1)-c1cc2CCCCn2n1
O=C(Cc1ccccn1)c1cc2CCCCn2n1
N#Cc1ccc(COc2cc3CCCCn3n2)nc1
Clc1ccccc1-c1cc2CCCCn2n1
N#Cc1ccc(COc2cc3CCCCn3n2)cc1
Clc1cccc(c1)-c1cc2CCCCn2n1
Cc1ccnc(c1)-c1cc2CCCCn2n1
Clc1c2CCCCn2nc1C(=O)Cc1ccc(cn1)C#N
Nc1cccnc1NC(=O)c1cc2CCCCn2n1
Clc1cccc(COc2cc3CCCCn3n2)n1
Fc1cccc(c1)-c1cc2CCCCn2n1
Clc1ccc(cc1)-c1cc2CCCCn2n1
Clc1ccc(nc1)-c1cc2CCCCn2n1
Cc1cc(nn1C)C(=O)Nc1ccc(cn1)C#N
O=C(Nc1ccccn1)c1cc2CCCCn2n1
N#Cc1ccc(nc1)-c1cc2CCCCn2n1
Fc1cccc(NC(=O)c2cc3CCCCn3n2)n1
CC(C)Cc1noc(n1)C1CCc2c(C1)nnn2C(C)(C)C
CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C1CCCC1
CC(C)(C)n1nnc2CC(CCc12)c1nnc(o1)-c1ccc(F)cc1
CC(C)(C)n1nnc2CC(CCc12)c1noc(n1)-c1ccc(F)cc1
CC(C)(C)n1nnc2CC(CCc12)c1nc(Cc2ccc(F)cc2)no1
CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)N1CCOCC1
CC(C)(C#N)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
CC(C)(C)Cn1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
CC1(CCOCC1)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
CC(C)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2-c1ccc(F)nc1
Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2-c1ccc(F)cc1
CC(C)(C)n1nnc2CC(CCc12)n1cnc(n1)-c1ccc(F)cc1
CN(C)c1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C(C)(C)C
Cc1ccc(cn1)-c1noc(n1)C1CCc2c(C1)nnn2C(C)(C)C
CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)C1CCCCC1
CN1CCC(CC1)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(cc1)C#N
Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C1CCOC1
Fc1ccc(cc1)-c1nc(no1)-c1ccc2n(nnc2c1)C1CCCC1
Brc1csc(n1)C(=O)Nc1cccc(Br)c1
Cc1cccc(NC(=O)c2nc(Br)cs2)n1
C[C@H]1CN(Cc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)C[C@@H](C)O1 |r|
Cn1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1
Cc1csc(NC(=O)c2cc(OC3CCCCC3)cc(C)n2)n1
Cc1cc(OCC2CCCO2)cc(n1)C(=O)Nc1ccccn1
Cc1cc(OC2CCCC2)cc(n1)C(=O)Nc1ccccn1
C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 |r|
Cc1cc(OC2CCOCC2)cc(n1)C(=O)Nc1ccc(F)cn1
C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(cs1)C(F)F |r|
CC(=O)N1CC(C1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1
Cc1csc(NC(=O)c2cc(OC3COC3)cc(C)n2)n1
Cc1csc(NC(=O)c2cc(OC3CCC3)cc(C)n2)n1
Cc1cc(OCC2CCOC2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(OCC2CCCO2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(OCC2CCO2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(OC2CCCOC2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(O[C@H]2CCOC2)cc(n1)C(=O)Nc1ccc(F)cn1 |r|
Cc1cc(OC2COC2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(OC2CCCC2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(OC2CCC2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(OCC2CCOC2)cc(n1)C(=O)Nc1ccccn1
Cc1cc(OCC2CCO2)cc(n1)C(=O)Nc1ccccn1
Cc1cc(OCC2COC2)cc(n1)C(=O)Nc1ccccn1
Cc1cc(O[C@H]2CCOC2)cc(n1)C(=O)Nc1ccccn1 |r|
Cc1cc(O[C@@H]2CCOC2)cc(n1)C(=O)Nc1ccccn1 |r|
Cc1cc(OC2CCC2)cc(n1)C(=O)Nc1ccccn1
Cc1csc(NC(=O)c2cc(O[C@H]3CCOC3)cc(C)n2)n1 |r|
Cc1csc(NC(=O)c2cc(OC3CCOCC3)cc(C)n2)n1
Cc1csc(NC(=O)c2cc(OCC3COC3)cc(C)n2)n1
Cc1csc(NC(=O)c2cc(OCC3CCO3)cc(C)n2)n1
COCOc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1
C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1ccc(F)cn1 |r|
C[C@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1ccc(F)cn1 |r|
C[C@H]1C[C@@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 |r|
C[C@H]1C[C@@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1ccc(F)cn1 |r|
C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)c(F)s1 |r|
COC[C@@H](C)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 |r|
CO[C@@H](C)COc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 |r|
Cc1csc(NC(=O)c2cc(OC3CSC3)cc(C)n2)n1
Cc1csc(NC(=O)c2cc(OC3CCSC3)cc(C)n2)n1
Cc1csc(NC(=O)c2cc(OC3CN(C3)S(C)(=O)=O)cc(C)n2)n1
COc1cc(C)nc(c1)C(=O)Nc1ccc(F)cn1
Cc1cc(OC2CCCOC2)cc(n1)C(=O)Nc1ccccn1
Cc1csc(NC(=O)c2cc(O[C@@H]3CCOC3)cc(C)n2)n1 |r|
C[C@@H]1C[C@@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1ccc(F)cn1 |r|
C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(cs1)C1CC1 |r|
Cc1csc(NC(=O)c2cc(OC3CS(=O)(=O)C3)cc(C)n2)n1
COCOc1cc(C)nc(c1)C(=O)Nc1ccc(F)cn1
Cc1cc(OCC2COC2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(O[C@@H]2CCOC2)cc(n1)C(=O)Nc1ccc(F)cn1 |r|
COCOc1cc(C)nc(c1)C(=O)Nc1ccccn1
Cc1cc(OC2CCOCC2)cc(n1)C(=O)Nc1ccccn1
Cc1cc(OC2CCCCC2)cc(n1)C(=O)Nc1ccccn1
Cc1csc(NC(=O)c2cc(OC3CCCOC3)cc(C)n2)n1
Cc1csc(NC(=O)c2cc(OCC3CCCO3)cc(C)n2)n1
C[C@@H]1C[C@@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 |r|
C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(CF)cs1 |r|
COC[C@H](C)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 |r|
Cc1csc(NC(=O)c2cc(OC3C[S+]([O-])C3)cc(C)n2)n1 |(36.15,-36.77,;34.62,-36.93,;33.86,-38.26,;32.35,-37.95,;32.18,-36.42,;30.85,-35.65,;29.51,-36.42,;29.52,-37.96,;28.18,-35.66,;28.17,-34.11,;26.84,-33.34,;26.83,-31.8,;28.16,-31.03,;29.65,-31.42,;30.04,-29.93,;31.37,-29.16,;28.55,-29.54,;25.51,-34.11,;25.51,-35.66,;24.17,-36.43,;26.84,-36.43,;33.59,-35.79,)|
Cc1csc(NC(=O)c2cc(OC3CCCC3)cc(C)n2)n1
Cc1cc(OC2CCCCC2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(OC2COC2)cc(n1)C(=O)Nc1ccccn1
C[C@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 |r|
CO[C@H](C)COc1cc(C)nc(c1)C(=O)Nc1nc(C)cs1 |r|
C[C@@H]1C[C@H](CO1)Oc1cc(C)nc(c1)C(=O)Nc1nc(cs1)C(F)(F)F |r|
Cc1csc(NC(=O)c2cc(OCC3CCOC3)cc(C)n2)n1
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccccc3)oc2C1
Fc1cccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c12
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Fc1cc(NC(=O)Nc2ccc(Cl)cn2)cc(c1)C#N
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])c1
Clc1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]C([#6])([#6])[#6]
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]C([#6])([#6])[#6]
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccccc1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1cccc(Br)c1
[#6]-[#6]-[#7](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
CCN(C(C)C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(c1)C#N
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccc(cc1)C#N
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-c1ccccc1
[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1cccc(Cl)c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(F)c1
[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccccc1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(F)c1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]C2([#6]-1)[#6]\[#6](-[#6]2)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]\[#6](-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1ccc(cc1)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1ccco1
[#6]-[#8]-c1ccccc1-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-c1cc(F)cc(F)c1
[#6]-[#8]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6](-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)-c1ccccc1
[#6]-[#7](-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)C([#6])([#6])[#6]
[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-[#6]-c1ccccc1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-[#6]-1-[#6]-[#6]-[#6]-1
CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)[#6]-c1ccccc1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
CC(C)N(C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-c1ccccc1
CCOC(=O)N1CC\C(C1)=C\C#Cc1cccc(C)n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(Cl)c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6]
[#6]-[#6](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)-c1ccccc1
COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Cc1cc(F)cc(c1)C(=O)N1CCn2nc(cc2C1)-c1ccc(F)cn1
Cc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1ccccc1
O=C(N1CCn2nc(cc2C1)-c1ccncc1)c1ccccc1
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cc(F)cc(Cl)c1
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cccc(c1)C(F)(F)F
COc1cccc(c1)C(=O)N1CCn2nc(cc2C1)-c1ccc(F)cn1
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cccc(F)c1
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cccc(Cl)c1
Cc1cccc(n1)-c1cc2CN(CCn2n1)C(=O)c1ccccc1
Cc1ccnc(c1)-c1cc2CN(CCn2n1)C(=O)c1ccccc1
Cc1cccnc1-c1cc2CN(CCn2n1)C(=O)c1ccccc1
Clc1ccc(cc1)C(=O)N1CCn2nc(cc2C1)-c1ccccn1
Clc1ccccc1C(=O)N1CCn2nc(cc2C1)-c1ccccn1
O=C(N1CCn2nc(cc2C1)-c1ccccc1)c1ccccc1
CC(C)(C)c1cc2CN(CCn2n1)C(=O)c1ccc2ccccc2c1
Clc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1ccccc1
Clc1cccc(c1)C(=O)N1CCn2nc(cc2C1)-c1ccccn1
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cccc(c1)C#N
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1ccccc1
Clc1cc(Cl)cc(c1)C(=O)N1CCn2nc(cc2C1)-c1ccccn1
O=C(N1CCn2nc(cc2C1)-c1ccccn1)c1ccccc1
Cc1cccc(c1)C(=O)N1CCn2nc(cc2C1)-c1ccc(F)cn1
O=C(N1CCn2nc(cc2C1)-c1cccnc1)c1ccccc1
Fc1cccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#Cc2ccccc2)c1F |r|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccn1 |r|
O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cncc(c1)C#Cc1ccccc1 |r|
Fc1cccc(F)c1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ncccc1F |r|
O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cccc(n1)C#Cc1ccccc1 |r|
O=C1N[C@@H]([C@H](O1)c1ccccc1)c1ccnc(c1)C#Cc1ccccc1 |r|
Fc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Fc1ccc(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Clc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Clc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cccnc1 |r|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccncc1 |r|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccnc(F)c1 |r|
Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#Cc2ccccc2)c(F)c1 |r|
Fc1cc(F)cc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Clc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cccc(c1)C#Cc1ccccc1 |r|
[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1F
Cc1ccoc1C(=O)Nc1cc(C)c(cc1F)N1C(=O)c2ccccc2C1=O
c1cc(c(cc1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F
Clc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(C2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(Cl)c1
Fc1cc(Cl)ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1ccccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1ccc(N2CCN(Cc3cc(cn4c(CC5CC5)nnc34)C(F)(F)F)CC2)c(F)c1
Fc1ccc(N2CCN(CC2)C(=O)c2cnc3n(CC4CC4)ncc3c2C(F)(F)F)c(F)c1
[H][C@]12COc3cccc(F)c3N1CCN(C2)c1c(nnc2c(OC)cc(F)cc12)C#N |r|
FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12
COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O