1094 SMILES Strings for TGF-beta receptor type-2

Compound Name
SMILES String
O[C@H]1C[C@H](C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |r,wU:3.5,1.0,(-2.09,-5.84,;-1,-4.75,;-1,-3.21,;.54,-3.21,;.54,-4.75,;1.63,-2.12,;3.09,-2.6,;4,-1.35,;3.09,-.11,;1.63,-.58,;.29,.19,;.29,1.73,;-1.04,2.5,;-2.37,1.73,;-3.84,2.2,;-4.74,.96,;-3.84,-.29,;-4.31,-1.75,;-4.79,-3.22,;-2.37,.19,;-1.04,-.58,;3.49,1.38,;4.98,1.78,;5.38,3.27,;4.29,4.35,;4.69,5.84,;2.8,3.96,;2.4,2.47,)|
Fc1ccc(cc1)-c1ncn(C2CC(F)(F)C2)c1-c1ccc2ncc(C#N)n2n1
CC[C@@H](CO)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |r|
Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccc2ncc(C#N)n2n1
Fc1ccc(cc1)-c1ncn(C2CCC(F)(F)CC2)c1-c1ccc2ncc(C#N)n2n1
FCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
CCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
CC(C)OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ncn(C2COC2)c1-c1ccc2ncc(C#N)n2n1
OCCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
COCC(C1CC1)n1cnc(c1-c1ccc2ncc(C#[C-])n2n1)-c1ccc(F)cc1
OC1CCCCC1n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc[nH]c1-c1ccc2ncc(C#N)n2n1
Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
FC(F)CCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
FCCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
CC(C)(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ncn(c1-c1ccc2ncc(C#N)n2n1)C12CC(C1)C2
CC(C)(O)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
OCC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |(-4.26,-4.53,;-2.93,-5.3,;-1.59,-4.53,;-1.19,-3.04,;.29,-3.44,;-.1,-4.93,;1.63,-2.67,;3.09,-3.14,;4,-1.9,;3.09,-.65,;1.63,-1.13,;.29,-.36,;.29,1.18,;-1.04,1.95,;-2.37,1.18,;-3.84,1.66,;-4.74,.41,;-3.84,-.83,;-4.31,-2.3,;-4.79,-3.76,;-2.37,-.36,;-1.04,-1.13,;3.49,.83,;4.98,1.23,;5.38,2.72,;4.29,3.81,;4.69,5.3,;2.8,3.41,;2.4,1.92,)|
OC[C@@H](CC(F)(F)F)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |r|
OC[C@H](CC(F)(F)F)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |r|
CCC(C)(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ncn(CC2CCCO2)c1-c1ccc2ncc(C#N)n2n1
FCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1F)-c1nc[nH]c1-c1ccc2nccn2c1
Fc1ccc(cc1Cl)-c1ncn(C2CC2)c1-c1ccc2ncc(C#N)n2n1
CC(C)(O)CCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
OCCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
O[C@H]1C[C@H](C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |r,wU:3.5,1.0,(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)|
Fc1ccc(cc1Cl)-c1ncn(CCC2CCC2)c1-c1ccc2ncc(C#N)n2n1
CC1(CC1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-c1ncn(C[C@@H]2CCCO2)c1-c1ccc2ncc(C#N)n2n1 |r|
CC1(COC1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-c1ncn(CCCCl)c1-c1ccc2ncc(C#N)n2n1
CC1(Cn2cnc(c2-c2ccc3ncc(C#N)n3n2)-c2ccc(F)c(Cl)c2)COC1
Fc1ccc(cc1Cl)-c1ncn(C2CCOC2)c1-c1ccc2ncc(C#N)n2n1
Cc1cccc(c1)-c1ncn(C)c1-c1ccc2nccnc2c1
Fc1ccc(cc1Cl)-c1ncn(C2CCOCC2)c1-c1ccc2ncc(C#N)n2n1
CC(C)CCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
CCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-c1ncn(C2CC(F)(F)C2)c1-c1ccc2ncc(C#N)n2n1
FCCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Cc1nc(c(-c2ccc3ncsc3c2)n1C)-c1ccc(F)c(C)c1
CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
CC(C)(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-c1ncn(C2CCC2)c1-c1ccc2ncc(C#N)n2n1
Fc1ccc(cc1Cl)-c1ncn(c1-c1ccc2ncc(C#N)n2n1)C12CC(C1)C2
Fc1ccc(cc1Cl)-c1ncn(CCCl)c1-c1ccc2ncc(C#N)n2n1
Fc1ccc(cc1Cl)-c1ncn(CCC2CC2)c1-c1ccc2ncc(C#N)n2n1
CC1(Cn2cnc(c2-c2ccc3ncc(C#N)n3n2)-c2ccc(F)c(Cl)c2)CC1
Fc1ccc(cc1Cl)-c1ncn([C@@H]2CCC(F)(F)C2)c1-c1ccc2ncc(C#N)n2n1 |r|
Fc1ccc(cc1Cl)-c1ncn([C@H]2CCC(F)(F)C2)c1-c1ccc2ncc(C#N)n2n1 |r|
Cn1cnc(c1-c1ccc2cn[nH]c2c1)-c1ccc(F)c(F)c1
Fc1ccc(cc1)-c1ncn(C2CC(F)(F)C2)c1-c1ccc2ncc(C#N)n2c1
CCC(C)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
C[C@@H](O)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1 |r|
CC(O)CCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CCC(O)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
OC[C@H](O)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1 |r|
Fc1ccc(cc1)-c1ncn(CC2CCC2)c1-c1ccc2ncc(C#N)n2c1
CCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CCC(CC)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
OCCCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CC(C)C(C)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccc2ncc(C#N)n2c1
Fc1ccc(cc1)-c1ncn(C2COC2)c1-c1ccc2ncc(C#N)n2c1
CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CC(CCO)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CC(CO)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CC(C)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CCC(CO)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
FCCCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
OCC(CO)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc2ncc(C#N)n2c1
CCCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CC(C1CC1)n1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
C[C@H](O)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1 |r|
CC(C)(O)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
CCOCCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
OC[C@@H](O)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1 |r|
Cc1nc(c([nH]1)-c1ccc2ncsc2c1)-c1cc(F)c(F)c(F)c1
CCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-c1ncn(CCN2CCOCC2)c1-c1ccc2ncc(C#N)n2c1
Fc1ccc(cc1Cl)-c1ncn(CC2CC2)c1-c1ccc2ncc(C#N)n2c1
Fc1ccc(cc1Cl)-c1ncn(C2COC2)c1-c1ccc2ncc(C#N)n2c1
Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-c1ncn(C2CC(F)(F)C2)c1-c1ccc2ncc(C#N)n2c1
OCCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)c(Cl)c1
FCCCn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)c(Cl)c1
Cc1nc(c([nH]1)-c1ccc2cn[nH]c2c1)-c1cccc(Cl)c1
CCC(CF)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
FC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)|
Cc1nc(c([nH]1)-c1ccc2ncccc2c1)-c1cccc(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CC(F)(F)C1)-c1ccc(F)cc1
CCc1nc(c([nH]1)-c1ccc2cn[nH]c2c1)-c1ccc(F)c(C)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CCC(F)(F)C1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CC1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CCC(F)(F)CC1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCF)-c1ccc(F)cc1
CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCF)-c1ccc(F)c(Cl)c1
CCc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)c1
CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CC(F)(F)C1)-c1ccc(F)c(Cl)c1
CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CCN1CCOCC1)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CC(F)(F)C1)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C(CO)CO)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1[C@@H]1C[C@H](O)C1)-c1ccc(F)cc1 |r,wU:17.19,19.22,(-5.55,-2.18,;-4.06,-1.78,;-2.97,-2.87,;-3.66,-.29,;-4.57,.96,;-3.66,2.2,;-2.2,1.73,;-.87,2.5,;.47,1.73,;.47,.19,;-.87,-.58,;-2.2,.19,;1.8,-.58,;3.27,-.11,;4.17,-1.35,;3.27,-2.6,;1.8,-2.12,;.71,-3.21,;-.83,-3.21,;-.83,-4.75,;-1.92,-5.84,;.71,-4.75,;3.66,1.38,;5.15,1.78,;5.55,3.27,;4.46,4.35,;4.86,5.84,;2.97,3.96,;2.58,2.47,)|
CC(C)OCCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
CC[C@@H](CO)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1 |r|
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1COC1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CC(F)C1)-c1ccc(F)cc1 |(-5.55,-2.18,;-4.06,-1.78,;-2.97,-2.87,;-3.66,-.29,;-4.57,.96,;-3.66,2.2,;-2.2,1.73,;-.87,2.5,;.47,1.73,;.47,.19,;-.87,-.58,;-2.2,.19,;1.8,-.58,;3.27,-.11,;4.17,-1.35,;3.27,-2.6,;1.8,-2.12,;.71,-3.21,;-.83,-3.21,;-.83,-4.75,;-1.92,-5.84,;.71,-4.75,;3.66,1.38,;5.15,1.78,;5.55,3.27,;4.46,4.35,;4.86,5.84,;2.97,3.96,;2.58,2.47,)|
CCC(CF)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C(CO)CO)-c1ccc(F)cc1
COCC(C1CC1)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
CC(C)(O)CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCCO)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCO)-c1ccc(F)cc1
Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C12CC(C1)C2)-c1ccc(F)cc1
CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCO)-c1ccc(F)c(Cl)c1
CC(C)(O)CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1C[C@H](O)C1)-c1ccc(F)c(Cl)c1 |r,wU:19.22,(-6.29,-2.18,;-4.81,-1.78,;-3.72,-2.87,;-4.41,-.29,;-5.31,.96,;-4.41,2.2,;-2.94,1.73,;-1.61,2.5,;-.28,1.73,;-.28,.19,;-1.61,-.58,;-2.94,.19,;1.06,-.58,;2.52,-.11,;3.43,-1.35,;2.52,-2.6,;1.06,-2.12,;-.03,-3.21,;-1.57,-3.21,;-1.57,-4.75,;-2.66,-5.84,;-.03,-4.75,;2.92,1.38,;1.83,2.47,;2.23,3.96,;3.72,4.35,;4.12,5.84,;4.81,3.27,;6.29,3.66,;4.41,1.78,)|
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CC(F)C1)-c1ccc(F)c(Cl)c1 |(-6.29,-2.18,;-4.81,-1.78,;-3.72,-2.87,;-4.41,-.29,;-5.31,.96,;-4.41,2.2,;-2.94,1.73,;-1.61,2.5,;-.28,1.73,;-.28,.19,;-1.61,-.58,;-2.94,.19,;1.06,-.58,;2.52,-.11,;3.43,-1.35,;2.52,-2.6,;1.06,-2.12,;-.03,-3.21,;-1.57,-3.21,;-1.57,-4.75,;-2.66,-5.84,;-.03,-4.75,;2.92,1.38,;1.83,2.47,;2.23,3.96,;3.72,4.35,;4.12,5.84,;4.81,3.27,;6.29,3.66,;4.41,1.78,)|
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCCO)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCN1CCCC1)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CCOCC1)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C[C@@H]1CCCO1)-c1ccc(F)c(Cl)c1 |r|
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CCOC1)-c1ccc(F)c(Cl)c1
CC(C)CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCCCl)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCC1CCC1)-c1ccc(F)c(Cl)c1
CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
CC(CO)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CC(O)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CC(CCO)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
C[C@@H](O)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 |r|
CC(O)CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC1CCC1)-c1ccc(F)cc1
C[C@H](O)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 |r|
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C[C@H](O)CO)-c1ccc(F)cc1 |r|
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CCCF)-c1ccc(F)cc1
CN(C)CCCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C[C@@H](O)CO)-c1ccc(F)cc1 |r|
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CCCO)-c1ccc(F)cc1
CC(C)(O)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CC(C1CC1)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CC(C)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(O)C(F)(F)F)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C(CO)CO)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CCC1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1COC1)-c1ccc(F)cc1
CCC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CCCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CCOCCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CCC(CO)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CC(F)(F)C1)-c1ccc(F)cc1
Cn1cnc(c1-c1ccc2nccn2c1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-c1ncn(CCC(F)(F)F)c1-c1ccc2nccn2c1
FCCCn1cnc(c1-c1ccc2nccn2c1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-c1ncn(C2CC(F)(F)C2)c1-c1ccc2nccn2c1
Fc1ccc(cc1Cl)-c1ncn([C@@H]2CCC(F)(F)C2)c1-c1ccc2nccn2c1 |r|
Fc1ccc(cc1Cl)-c1ncn([C@H]2CCC(F)(F)C2)c1-c1ccc2nccn2c1 |r|
FCCn1cnc(c1-c1ccc2nccn2c1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1)-c1ncn(c1-c1ccc2nccn2n1)C1(CC1)C#N
FC(F)C1(CC1)n1cnc(c1-c1ccc2nccn2n1)-c1ccc(F)cc1
COC(=O)N1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
CC(=O)N1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ncn(C2CN(C2)C(=O)C2CC2)c1-c1ccc2ncc(C#N)n2n1
CC(C)(C)NC(=O)N1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ncn(C2CN(CC#N)C2)c1-c1ccc2ncc(C#N)n2n1
CC(C)(C)NC(=O)N1CC(C1)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
CNCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
CC(=O)NCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(CNC(=O)C3CC3)n2n1)-c1ccc(F)cc1
CC(C)(C)NC(=O)NCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
COC(=O)NCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
CC(C)OC(=O)NCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
CC(C)(C)C(=O)NCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
ONC(=N)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
CC(C)(O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
NNC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
CNC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
CN(C)C(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C(=O)NC3CC3)n2n1)-c1ccc(F)cc1
CONC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
OCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
COC(=O)Nc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
CC(=O)Nc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
OC(c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1)C(F)(F)F |w:1.0|
CC(O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1 |w:1.1|
FC(F)Cn1cnc(c1-c1ccc2ncc(C(F)F)n2n1)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(-c3cnco3)n2n1)-c1ccc(F)cc1
OCCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2nccn2c1)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2nccn2c1)-c1ccc(F)c(Cl)c1
FC(F)Cn1cnc(c1-c1ccc2nccn2c1)-c1ccc(F)c(F)c1
FC(F)Cn1cnc(c1-c1ccc2nccn2c1)-c1ccc(F)cc1F
FC(F)Cn1cnc(c1-c1ccc2nccn2c1)-c1cc(Cl)ccc1F
FC(F)Cn1cnc(c1-c1ccc2nccn2c1)-c1cc(Cl)c(F)cc1F
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)c(Cl)c1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)c(F)c1
FC(F)Cn1cnc(c1-c1ccc2ncc([N+]#[C-])n2c1)-c1ccc(F)cc1F
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1cc(Cl)ccc1F
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1cc(Cl)c(F)cc1F
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)c(F)c1
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1F
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1cc(Cl)ccc1F
NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1cc(Cl)c(F)cc1F
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1cccc(c1)C#N
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccccc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1cc(Cl)cc(Cl)c1
CS(=O)(=O)Nc1ccccc1-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
Nc1cccc(c1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
Cc1ccc(cc1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
COc1ccc(cc1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1cccc(c1)C(F)(F)F
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(cc1)C(F)(F)F
CC(=O)Nc1cccc(c1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccccc1C(F)(F)F
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc2OCOc2c1
Oc1ccccc1-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
Oc1cccc(c1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
Oc1ccc(cc1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
NC(=O)c1ccccc1-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
CS(=O)(=O)Nc1cccc(c1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
OCc1ccccc1-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
CS(=O)(=O)c1cccc(c1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
NC(=O)c1cccc(c1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
OCc1cccc(c1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1cccc(c1)-c1ccccc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(cc1)C#N
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1cccc(OC(F)(F)F)c1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(c1)C(F)(F)F
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1C(F)(F)F
COc1cc(ccc1F)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
CC(C)Oc1ccc(cc1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
Nc1ccc(cc1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
CC(C)(O)c1cccc(c1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(c1)C#N
Fc1ccc(cc1)-c1ncn(c1-c1ccc2ncc(C#N)n2n1)C1(CC1)C#N
Fc1ccc(cc1)-c1ncn(CCC#N)c1-c1ccc2ncc(C#N)n2n1
[H]C12C[C@H]3C[C@@](O)(C1)C[C@](C3)(C2)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |r,TLB:4:3:11:5.7.8,4:5:11:10.2.3,THB:6:5:11:10.2.3|
CC(C)(C)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Cc1nc(c(-c2ccc3nccn3c2)n1CC(F)F)-c1ccc(F)cc1
Cc1nc(c(-c2ccc3ncc(C(N)=O)n3c2)n1CC(F)F)-c1ccc(F)cc1
Cc1nc(c(-c2ccc3[nH]ncc3c2)n1CC(F)F)-c1ccc(F)cc1
CC(O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1 |w:1.1|
FC(F)CNCc1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(CNC3CC(F)(F)C3)n2c1)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C(F)F)n2c1)-c1ccc(F)cc1
CC(C)(O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C(=O)NC3CC3)n2c1)-c1ccc(F)cc1
NC(=O)CNC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2nncn2c1)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccn2ncnc2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(nc2CCCn12)-c1ccc(F)cc1
COC(=O)Nc1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C3CC3)n2c1)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(F)n2c1)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(N3CCOCC3)n2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(nc2CNCCn12)-c1ccc(F)cc1
COC(=O)N1CCn2c(C1)nc(c2-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CC(=O)N1CCn2c(C1)nc(c2-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
CN1CCn2c(C1)nc(c2-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(cn12)-c1c(nc2CN(CC(F)F)CCn12)-c1ccc(F)cc1
CC(=O)Nc1nc(c([nH]1)-c1ccc2nccn2c1)-c1ccc(F)cc1
Nc1nc(c(-c2ccc3nccn3c2)n1CC(F)F)-c1ccc(F)cc1
CC(=O)Nc1nc(c(-c2ccc3ncc(C#N)n3c2)n1CC(F)F)-c1ccc(F)cc1
Nc1nc(c(-c2ccc3ncc(C#N)n3c2)n1CC(F)F)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ncn(C2CNC2)c1-c1ccc2ncc(C#N)n2n1
CC(C)(C)OC(=O)N1CC(C1)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CNC1)-c1ccc(F)cc1
NCc1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C=C)n2n1)-c1ccc(F)cc1
Cc1nc(c(-c2ccc3ncc(C#N)n3n2)n1CC(F)F)-c1ccc(F)cc1
CCOC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
OCc1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc2CCCn2c1-c1ccc2ncc(C#N)n2c1
Nc1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
CC[C@H](CO)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |r|
COCC(C1CC1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Fc1ccc(cc1Cl)-c1ncn(CCC(F)(F)F)c1-c1ccc2ncc(C#N)n2n1
COCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
OC(Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1)C(F)(F)F
Fc1ccc(cc1Cl)-c1ncn(C2CCC(F)(F)C2)c1-c1ccc2ncc(C#N)n2n1
OC(Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1)C(F)(F)F
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCC(F)(F)F)-c1ccc(F)cc1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCC(F)(F)F)-c1ccc(F)c(Cl)c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1[C@@H]1C[C@H](O)C1)-c1ccc(F)c(Cl)c1 |r,wU:17.19,19.22,(-6.21,-2.29,;-4.71,-1.97,;-3.68,-3.12,;-4.23,-.51,;-5.14,.74,;-4.23,1.98,;-2.77,1.51,;-1.43,2.28,;-.1,1.51,;-.1,-.03,;-1.43,-.8,;-2.77,-.03,;1.24,-.8,;2.64,-.17,;3.67,-1.32,;2.9,-2.65,;1.4,-2.33,;.25,-3.36,;-1.29,-3.28,;-1.37,-4.82,;-2.51,-5.85,;.17,-4.9,;2.96,1.33,;1.82,2.36,;2.14,3.87,;3.6,4.34,;3.92,5.85,;4.75,3.31,;6.21,3.79,;4.43,1.81,)|
COCCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
CCC(O)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2c1)-c1ccc(F)cc1F
Cc1nc(c(-c2ccc3ncc(C#N)n3c2)n1CC(F)F)-c1ccc(F)cc1
Cc1cccc(n1)-c1nc(Nc2ccnc3ccccc23)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccc3ncccc3c2)c2cccn2n1
Cc1ccc(F)c(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Cc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Fc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Cn1cnc2ccc(Nc3nc(nn4cccc34)-c3ccccn3)cc12
c1cc2c(nc(nn2c1)-c1ccccn1)-n1ccc2cnccc12
c1cc2c(nc(nn2c1)-c1ccccn1)-n1cnc2cnccc12
c1cc2c(nc(nn2c1)-c1ccccn1)-n1ccc2ccncc12
COc1ccc2nccc(Nc3nc(nn4cccc34)-c3cccc(C)n3)c2c1
Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(Br)cc23)c2cccn2n1
COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(C)n3)ccnc2c1
Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(F)cc23)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(Cl)cc23)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(cc23)C(F)(F)F)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccnc3cc(ccc23)C(F)(F)F)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccnc3ccncc23)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccnc2c1
COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)F)ccnc2c1
FC(F)c1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
Cc1nc(ccc1F)-c1nc(-n2ccc3cnccc23)c2cccn2n1
COc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2c(Cl)ccn2n1
CS(=O)(=O)Nc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
CCc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
C1CC1c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
FC(F)c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
COc1cccc(n1)-c1nc(-n2ncc3cnccc23)c2cccn2n1
Clc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
COc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Fc1ccc(nc1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Cc1ccc(nc1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
CSc1nccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cccn2n1
N#Cc1cnc2ccc(cn12)-c1cccnc1-c1ccccn1
FC(F)(F)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
Cc1nc(ccc1F)-c1ncccc1-c1ccc2ncc(C#N)n2c1
Fc1ccnc(c1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
COc1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cccc(n1)C(F)(F)F
Cc1nc(ccc1F)-c1ncccc1-c1ccc2ncc(C(N)=O)n2c1
Fc1ccc(nc1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1ccc(F)cn1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cc(F)ccn1
FC(F)c1nc(ccc1F)-c1ncccc1-c1ccc2ncc(C#N)n2c1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1ccc(F)c(n1)C(F)F
COC(=O)c1ccc(nc1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
COC(=O)c1ccc(nc1)-c1ncccc1-c1ccc2ncc(C(N)=O)n2c1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1ccc(cn1)C(O)=O
FC(F)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cccc(n1)C(F)F
CCc1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
CC(C)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
CC(C)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C(N)=O)n2c1
COc1cccc(n1)-c1ncccc1-c1ccc2ncc(C(N)=O)n2c1
N#Cc1cnc2ccc(cn12)-c1cccnc1-c1cccc(n1)C1CC1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cccc(n1)C1CC1
Fc1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cccc(F)n1
N#Cc1cnc2ccc(cn12)-c1cccnc1-c1cccc(OCc2ccccc2)n1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1ccccn1
CC(=O)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
CC(C)(O)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
Cc1cc(C)nc(c1)-c1ncccc1-c1ccc2ncc(C(N)=O)n2c1
Cc1nc(ccc1F)-c1ncccc1-c1ccc2ncc(C(N)=O)n2n1
CS(=O)(=O)Nc1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
CC(=O)Nc1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2c1
NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cccc(Cl)n1
Cc1cccc(n1)-c1ncccc1-c1ccc2nccn2c1
FC(F)c1nc(ccc1F)-c1ncccc1-c1ccc2nccn2c1
FC(F)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2n1
COc1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2n1
COc1cccc(n1)-c1ncccc1-c1ccc2ncc(C(N)=O)n2n1
NC(=O)c1cnc2ccc(nn12)-c1cccnc1-c1cccc(n1)C(F)F
Fc1ccc(nc1)-c1ncccc1-c1ccc2ncc(C#N)n2n1
NC(=O)c1cnc2ccc(nn12)-c1cccnc1-c1ccc(F)cn1
Cc1ccc(nc1)-c1ncccc1-c1ccc2ncc(C#N)n2n1
Cc1ccc(nc1)-c1ncccc1-c1ccc2ncc(C(N)=O)n2n1
Cc1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2n1
Cc1cccc(n1)-c1ncccc1-c1ccc2ncc(C(N)=O)n2n1
Fc1ccnc(c1)-c1ncccc1-c1ccc2ncc(C#N)n2n1
NC(=O)c1cnc2ccc(nn12)-c1cccnc1-c1cc(F)ccn1
Cc1nc(ccc1F)-c1ncccc1-c1ccc2ncc(C#N)n2n1
CC(C)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2n1
CC(C)c1cccc(n1)-c1ncccc1-c1ccc2ncc(C(N)=O)n2n1
Fc1cccc(n1)-c1ncccc1-c1ccc2ncc(C#N)n2n1
Cc1cccc(n1)-c1ncccc1-c1ccc2ncc(NC(=O)C(F)(F)F)n2c1
Cc1cccc(n1)-c1ncccc1-c1ccc2ncc(C(=O)NCC(F)F)n2c1
Cc1cccc(n1)-c1ncccc1-c1ccc2ncc(C(=O)NCC(F)(F)F)n2c1
COCCNC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cccc(C)n1
CNC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cccc(C)n1
Cc1cccc(n1)-c1ncccc1-c1ccc2ncc(C(O)=O)n2n1
Cc1cccc(n1)-c1ncccc1-c1ccc2ncc(C(=O)NC3COC3)n2n1
Cc1cccc(n1)-c1ncccc1-c1ccc2ncc(C(=O)NC3CC3)n2n1
CC(=O)Nc1cn2cc(ccc2n1)-c1cccnc1-c1cccc(C)n1
CC(=O)Nc1cn2cc(ccc2n1)-c1cccnc1-c1ccc(F)c(C)n1
Cc1nc(ccc1F)-c1ncccc1-c1ccc2nc(cn2c1)C(N)=O
NC(=O)c1cn2cc(ccc2n1)-c1cccnc1-c1cccc(n1)C(F)(F)F
Cc1cccc(n1)-c1ncccc1-c1ccc2nc(cn2c1)C(N)=O
Cc1cccc(n1)-c1ncc(F)cc1-c1ccc2ncc(C#N)n2c1
Cc1cccc(n1)-c1ncc(F)cc1-c1ccc2ncc(C(N)=O)n2c1
FC(F)c1cccc(n1)-c1ncc(F)cc1-c1ccc2ncc(C#N)n2c1
NC(=O)c1cnc2ccc(cn12)-c1cc(F)cnc1-c1cccc(n1)C(F)F
Cc1nc(ccc1F)-c1ncc(F)cc1-c1ccc2ncc(C(N)=O)n2c1
Cc1cccc(n1)-c1nc(C)ccc1-c1ccc2ncc(C#N)n2c1
Cc1cccc(n1)-c1nc(C)ccc1-c1ccc2ncc(C(N)=O)n2c1
Cc1ccc(-c2ccc3ncc(C(N)=O)n3c2)c(n1)-c1cccc(n1)C(F)F
Cc1cccc(n1)-c1nc(ccc1-c1ccc2ncc(C#N)n2c1)C(F)(F)F
Cc1cccc(n1)-c1nc(ccc1-c1ccc2ncc(C(N)=O)n2c1)C(F)(F)F
COC(=O)c1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1
Cc1cccc(n1)-c1nccc(CO)c1-c1ccc2ncc(C#N)n2c1
Cc1cccc(n1)-c1nccc(C(F)F)c1-c1ccc2ncc(C#N)n2c1
Cc1cccc(n1)-c1nccc(C(F)F)c1-c1ccc2ncc(C(N)=O)n2c1
CC(=O)Nc1ccc(-c2ccc3ncc(C(N)=O)n3c2)c(n1)-c1cccc(C)n1
CC(=O)Nc1cnc(-c2cccc(C)n2)c(c1)-c1ccc2ncc(C#N)n2c1
CC(=O)Nc1cnc(-c2cccc(C)n2)c(c1)-c1ccc2ncc(C(N)=O)n2c1
Cc1cccc(n1)-c1ncc(N)cc1-c1ccc2ncc(C(N)=O)n2c1
Cc1cccc(n1)-c1ncc(N)cc1-c1ccc2ncc(C(O)=O)n2c1
CC(=O)Nc1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1
Cc1cccc(n1)-c1nccc(N)c1-c1ccc2ncc(C(N)=O)n2c1
CC(=O)Nc1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C(N)=O)n2c1
Cc1nc(ccc1F)-c1ncccc1-c1ccc2ncnc(N)c2n1
Nc1ncnc2ccc(nc12)-c1cccnc1-c1ccc(F)cn1
Nc1ncnc2ccc(nc12)-c1cccnc1-c1cccc(n1)C(F)F
Nc1ncnc2ccc(nc12)-c1cccnc1-c1cccc(n1)C1CC1
CCc1cccc(n1)-c1ncccc1-c1ccc2ncnc(N)c2c1
CC(C)c1cccc(n1)-c1ncccc1-c1ccc2ncnc(N)c2c1
Nc1ncnc2ccc(cc12)-c1cccnc1-c1cccc(n1)C(F)F
Cc1nc(ccc1F)-c1ncccc1-c1ccc2ncnc(N)c2c1
Nc1ncnc2ccc(cc12)-c1cccnc1-c1cccc(n1)C1CC1
Cc1nc(ccc1F)-c1ncccc1-c1ccc2nccnc2c1
Cc1cccc(n1)-c1ncccc1-c1ccc2nccnc2c1
FC(F)(F)c1cccc(n1)-c1ncccc1-c1ccc2nccnc2c1
FC(F)c1cccc(n1)-c1ncccc1-c1ccc2[nH]ncc2c1
Fc1ccc(nc1)-c1ncccc1-c1ccc2[nH]ncc2c1
Cc1nc(ccc1F)-c1ncccc1-c1ccc2[nH]ncc2c1
FC(F)c1n[nH]c2ccc(cc12)-c1cccnc1-c1cccc(n1)C(F)F
Cc1cccc(n1)-c1ncccc1-c1ccn2ncc(C#N)c2n1
Cc1cccc(n1)-c1ncccc1-c1ccn2ncc(C(N)=O)c2n1
FC(F)(F)c1cccc(n1)-c1ncccc1-c1ccn2ncc(C#N)c2n1
Cc1nc(ccc1F)-c1ncccc1-c1ccn2ncc(C#N)c2n1
CCOC(=O)c1cnn2ccc(nc12)-c1cccnc1-c1cccc(n1)C(F)(F)F
OC(=O)c1cnn2ccc(nc12)-c1cccnc1-c1cccc(n1)C(F)(F)F
CNC(=O)c1cnn2ccc(nc12)-c1cccnc1-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)-c1ncccc1-c1ccn2ncc(C(=O)NC3CC3)c2n1
CNC(=O)c1cnn2ccc(nc12)-c1cccnc1-c1cccc(C)n1
Cc1cccc(n1)-c1ncccc1-c1ccn2ncc(C(=O)NC3CC3)c2n1
Cc1cccc(n1)-c1ncccc1-c1ccn2ncc(C(=O)NC3COC3)c2n1
CCOC(=O)c1cnn2ccc(nc12)-c1cccnc1-c1ccc(F)c(C)n1
Cc1nc(ccc1F)-c1ncccc1-c1ccn2ncc(C(O)=O)c2n1
Cc1nc(ccc1F)-c1ncccc1-c1ccn2ncc(C(=O)NC3CC3)c2n1
Cc1nc(ccc1F)-c1ncccc1-c1ccn2ncc(C(=O)NC3COC3)c2n1
CCOC(=O)c1cnn2ccc(nc12)-c1cccnc1-c1cccc(n1)C(F)F
OC(=O)c1cnn2ccc(nc12)-c1cccnc1-c1cccc(n1)C(F)F
FC(F)(F)c1cccc(n1)-c1ncccc1-c1ccn2nccc2n1
Cc1nc(ccc1F)-c1ncccc1-c1ccn2nccc2n1
Cc1cccc(n1)-c1ncccc1-c1ccn2nccc2n1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
N(c1ccncc1)c1nc(nn2cccc12)-c1ccccn1
FC(F)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)(F)F
Cc1nc(ccc1F)-c1nc(Nc2ccncc2Cl)c2cccn2n1
Fc1ccc(nc1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
NC(=O)c1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
Cc1cncc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccnc(Cl)c2F)c2cccn2n1
CS(=O)(=O)Nc1cccc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
CC(=O)Nc1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
Cn1nccc1-c1nc(Nc2ccncc2F)c2cccn2n1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2ccc(F)c(n2)C(F)F)ccn1
Cc1csc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)ccn1
Fc1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2C(F)F)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2)c2c(C)ccn2n1
Fc1cnccc1Nc1nc(nn2cccc12)-c1nc(cs1)C(F)(F)F
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2ccc(F)c(C)n2)ccn1
CC(=O)Nc1nccc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)c1F
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(NS(C)(=O)=O)cn2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CCC(F)(F)CC3)ccn2n1
CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCC(F)(F)CC4)c23)-c2ccccn2)ccn1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CCC(F)(F)CC3)ccn2n1
CN1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2cccc(n2)C(F)(F)F)CC1
Fc1cnccc1Nc1nc(nn2ccc(CN3CCC(F)(F)CC3)c12)-c1ccccn1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(ccn2n1)C(O)CO
CCc1cc2c(Nc3ccncc3F)nc(nn2c1)-c1cccc(OC)n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(ccn2n1)C(O)CN1CCC(CC1)N(C)C
COc1cccc(n1)-c1nc(NCc2ccncc2)c2cccn2n1
CC(O)c1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCCC3)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NCCN3CCC(F)(F)CC3)c2)c2cccn2n1
Cc1nc(ccc1F)-c1nc(Nc2ccncc2C(=O)NCCN2CCS(=O)(=O)CC2)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCCN2CCS(=O)(=O)CC2)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2COCCCN2CCOCC2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(cn2n1)C(C)(C)O
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(CN3CCC(F)(F)CC3)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2ccc(F)n2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(CCCCN3CCN(C)CC3)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(CCN3CCN(C)CC3)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(OCCN3CCCC3)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CCO)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2NC(C)=O)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(ccn2n1)C(C)(C)O
Cc1cccc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2)c2cc(cn2n1)C(=O)NCCCN1CCCC1
CN(C)CCCCOc1cnccc1Nc1nc(nn2cccc12)-c1cccc(C)n1
Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2ccc(C(O)=O)n2n1
Nc1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
Clc1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
Fc1cc(Nc2nc(nn3cccc23)-c2ccccn2)ccn1
Fc1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2c(F)cncc2F)c2cccn2n1
Cc1ccnc(c1)-c1nc(Nc2ccncc2F)c2cccn2n1
Fc1cnccc1Nc1nc(nn2cccc12)-c1cc(Cl)ccn1
Cc1cccc(n1)-c1nc(Nc2ccncn2)c2cccn2n1
Fc1ccc(nc1)-c1nc(Nc2ccncc2F)c2cccn2n1
FC(F)c1nc(ccc1F)-c1nc(Nc2ccncc2F)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncn2)c2cccn2n1
COC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(OC)n2)ccn1
Cc1nc(ccc1F)-c1nc(Nc2ccncc2)c2cccn2n1
Fc1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
Cc1cncc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
CCNC(=O)Nc1cc2c(Nc3ccncc3F)nc(nn2c1)-c1cccc(OC)n1
COC(=O)Nc1cc2c(Nc3ccncc3F)nc(nn2c1)-c1cccc(OC)n1
Cc1nc(ccc1F)-c1nc(Nc2ccncc2F)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2OCCCN2CCOCC2)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CCC(F)(F)CC3)ccn2n1
CS(=O)(=O)Nc1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
C=CCOc1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
Cn1nccc1-c1nc(Nc2ccncc2Cl)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(Cl)c2)c2cccn2n1
NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
Cc1csc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
Cc1csc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
Fc1cnccc1Nc1nc(nn2cccc12)-c1ccc[nH]1
CS(=O)(=O)Nc1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2)c2c(Cl)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(C)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(Cl)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(F)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2N)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(F)c2)c2c(C)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NC(C)=O)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2C(N)=O)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(c2)N2CCOCC2)c2cccn2n1
Fc1cnccc1Nc1nc(nn2cccc12)-c1ccnc(n1)C(F)(F)F
COc1nccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
CCOc1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(N)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(NC(C)=O)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(NC(=O)N3CCOCC3)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(NC(=O)CN3CCOCC3)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(NS(=O)(=O)C3CC3)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(NC(=O)CNC(=O)OC(C)(C)C)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(NC(=O)CN)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(NC(=O)CNS(C)(=O)=O)cn2n1
CS(=O)(=O)N(c1cc2c(Nc3ccncc3F)nc(nn2c1)-c1cccc(n1)C(F)(F)F)S(C)(=O)=O
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CCN3CCN(C)CC3)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CCN3CCOCC3)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CCN3CCC(N)CC3)ccn2n1
CN1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2cccc(n2)C(F)F)CC1
CC(C)(O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1cccc(n1)C(F)F
CC(=O)Nc1cc(Nc2nc(nn3ccc(CNCC(C)(C)O)c23)-c2ccccn2)ccn1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CNCC(C)(C)O)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CNCCN3CCCC3)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CNC[C@@H](F)C(C)(C)O)ccn2n1 |r|
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CCN(C)CC3)ccn2n1
Fc1cnccc1Nc1nc(nn2ccc(CN3CCC(F)(F)CC3)c12)-c1cccc(n1)C(F)(F)F
CC(C)(O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1cccc(n1)C(F)(F)F
CC(C)(O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
N[C@@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C[C@H]1O |r|
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(ccn2n1)C(O)CN1CCN(C)CC1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(ccn2n1)C(O)CN1CCC(F)(F)CC1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(ccn2n1)C(O)CNCCN1CCCCC1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(ccn2n1)C(O)CNCCN1CCS(=O)(=O)CC1
COc1cccc(n1)-c1nc(Nc2ccnc(NCCN3CCC(O)CC3)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NCC(C)(C)O)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NCCC(C)(C)O)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NCCCN(C)C)c2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NCCN3CCC(O)CC3)c2)c2c(C)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NCCN3CCOCC3)c2)c2c(C)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NCC(C)(C)O)c2)c2c(C)ccn2n1
COc1cccc(n1)-c1nc(Nc2ccnc(NCCN3CCOCC3)c2)c2cccn2n1
Cc1nc(ccc1F)-c1nc(Nc2ccncc2C(=O)NCCCN2CCS(=O)(=O)CC2)c2cccn2n1
Cc1nc(ccc1F)-c1nc(Nc2ccncc2C(=O)NCCN2CCCCC2)c2cccn2n1
O=C(NCCN1CCCC1)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
CCN(CC)CCNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
O=C(NCCN1CCCCC1)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cnccc2Nc2nc(nn3cccc23)-c2ccccn2)CC1
C[C@H]1CN(CCNC(=O)c2cnccc2Nc2nc(nn3cccc23)-c2ccccn2)C[C@@H](C)O1 |r|
O=C(NCCN1CCS(=O)(=O)CC1)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
O=C(NCCCN1CCS(=O)(=O)CC1)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
O=C(NCCCN1CCCC1=O)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
O=C(NCCCN1CCCC1)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
O=C(NCCN1CCNCC1)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCN2CCCC2)c2cccn2n1
CN1CCC(O)(CNC(=O)c2cnccc2Nc2nc(nn3cccc23)-c2cccc(C)n2)CC1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCN2CCCCC2)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCC(C)(C)O)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NC(C)(C)CO)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NC[C@H](O)CO)c2cccn2n1 |r|
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCCO)c2cccn2n1
CN1CCN(CCCNC(=O)c2cnccc2Nc2nc(nn3cccc23)-c2cccc(C)n2)CC1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)N2CCOCC2)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NC2CCOCC2)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NC2COC2)c2cccn2n1
CC(C)NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(C)n1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCN2CCS(=O)(=O)CC2)c2cccn2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCCN2CCS(=O)(=O)CC2)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCCN2CCOCC2)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCN2CCCC2)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCN2CCCCC2)c2cccn2n1
CCOCCCNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
CC(C)(C)OCCNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
OCCOCCNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
O[C@H]1CCCC[C@@H]1NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F |r|
CN1CCN(CCCNC(=O)c2cnccc2Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)CC1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NC2CCOC2)c2cccn2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NC2CCOCC2)c2cccn2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCN2CCS(=O)(=O)CC2)c2cccn2n1
O[C@@H]1CCCC[C@H]1NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F |r|
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCc2ccccn2)c2cccn2n1
CCc1nnc(CNC(=O)c2cnccc2Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)o1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCc2nccs2)c2cccn2n1
CCCNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
OC1(CCN(CC1)C(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F)c1ccccc1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)N2CCCC2)c2cccn2n1
CC(C)(O)CCNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
CC(C)(O)CNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)N2CCC2)c2cccn2n1
CCOC(=O)CNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCc2nc[nH]n2)c2cccn2n1
OCCNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NC2CCC2)c2cccn2n1
CC(C)NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCc2cocn2)c2cccn2n1
CC(C)(C)OC(=O)CNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCc2ccn[nH]2)c2cccn2n1
O[C@H]1CCC[C@H]1NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F |r|
O[C@H]1CCC[C@@H]1NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F |r|
OC1CCN(CC1)C(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NC2CCC(F)(F)CC2)c2cccn2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCC(F)(F)F)c2cccn2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2C(=O)N2CCC(F)(F)CC2)c2cccn2n1
CCOC(=O)CCNC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
COCc1noc(CNC(=O)c2cnccc2Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)n1
COc1cccc(n1)-c1nc(Nc2ccncc2CO)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(CNCC(C)(C)O)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(CNC[C@@H](F)C(C)(C)O)cn2n1 |r|
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(CNCCCN3CCS(=O)(=O)CC3)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(C=C)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc(\C=C\CCO)cn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2NC(=O)CN2CCOCC2)c2cccn2n1
Fc1cccc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
COc1cccc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
CSc1nccc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
CCOC(=O)c1cc2c(Nc3ccncc3)nc(nn2c1)-c1cccc(C)n1
Cc1cccc(n1)-c1nc(Nc2ccncc2)c2cc(cn2n1)C(=O)Nc1ccccc1
CN(C)C(=O)c1cc2c(Nc3ccncc3)nc(nn2c1)-c1cccc(C)n1
Cc1cccc(n1)-c1nc(Nc2ccncc2)c2cc(cn2n1)C(N)=O
CNC(=O)c1cc2c(Nc3ccncc3)nc(nn2c1)-c1cccc(C)n1
Cc1cccc(n1)-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2OCCCN2CCOCC2)c2cccn2n1
NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1ccc(F)c(n1)C(F)F
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)c(F)cn1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)c(F)cn1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2ccc(F)cn2)ccn1
NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1cccc(n1)C(F)F
CC(=O)Nc1nccc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)c1F
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(c2)-c2cc[nH]n2)c2cccn2n1
OCCN1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
O[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C1 |r|
O[C@@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C1 |r|
CN1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccc(F)cn2)CC1
CC(C)(O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccc(F)cn1
OC1CCC(CC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1 |(-5.46,6.47,;-5.06,4.98,;-3.58,4.58,;-3.18,3.09,;-4.27,2,;-5.75,2.4,;-6.15,3.89,;-3.87,.52,;-2.38,.12,;-1.98,-1.37,;-2.89,-2.62,;-1.98,-3.86,;-.52,-3.39,;.82,-4.16,;2.15,-3.39,;2.15,-1.85,;.82,-1.08,;.82,.46,;2.15,1.23,;3.48,.46,;4.82,1.23,;4.82,2.77,;3.48,3.54,;2.15,2.77,;.82,3.54,;-.52,-1.85,;3.48,-4.16,;3.48,-5.7,;4.82,-6.47,;6.15,-5.7,;6.15,-4.16,;4.82,-3.39,)|
OC12CC3CC(C1)CC(C3)(C2)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1 |TLB:0:1:7:3.4.9,4:3:10:5.7.6,4:5:10:2.3.9,THB:2:1:7:3.4.9,2:3:7:10.1.6|
Fc1cnccc1Nc1nc(nn2ccc(CNCC3CCNCC3)c12)-c1ccccn1
CC(O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
OC1(CCNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCCC1
CC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCC1
CC1(CCOCC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
OC1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
OCC1(CCCC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
CN(C)C1CCC(CC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1 |(-3.97,7.01,;-5.06,5.92,;-6.55,6.32,;-4.66,4.43,;-3.18,4.04,;-2.78,2.55,;-3.87,1.46,;-5.35,1.86,;-5.75,3.35,;-3.47,-.03,;-1.98,-.43,;-1.58,-1.91,;-2.49,-3.16,;-1.58,-4.41,;-.12,-3.93,;1.22,-4.7,;2.55,-3.93,;2.55,-2.39,;1.22,-1.62,;1.22,-.08,;2.55,.69,;3.88,-.08,;5.22,.69,;5.22,2.23,;3.88,3,;2.55,2.23,;1.22,3,;-.12,-2.39,;3.88,-4.7,;3.88,-6.24,;5.22,-7.01,;6.55,-6.24,;6.55,-4.7,;5.22,-3.93,)|
Fc1cnccc1Nc1nc(nn2ccc(CNCCCN3CCOCC3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCC3CCCO3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2cccc12)-c1ccc(cn1)C(F)(F)F
COc1nc(cs1)-c1nc(Nc2ccncc2F)c2cccn2n1
CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCN(CCO)CC4)c23)-c2ccccn2)ccn1
O[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2cccc(n2)C(F)F)C1 |r|
Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CC[C@H](O)C3)ccn2n1 |r|
OCCN1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2cccc(n2)C(F)F)CC1
CC(=O)Nc1cc(Nc2nc(nn3ccc(CNCC(C)(C)O)c23)-c2cccc(n2)C(F)(F)F)ccn1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncn2)c2cccn2n1
Fc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
Cc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
CCNc1cc(Nc2nc(nn3ccc(CNCC(C)(C)O)c23)-c2ccccn2)ccn1
Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CCN(CCO)CC3)ccn2n1
Fc1cnccc1Nc1nc(nn2cccc12)-c1ncccc1F
Cc1ccc(F)c(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
Fc1cnccc1Nc1nc(nn2cccc12)-c1cscn1
N[C@H]1CC[C@@H](CC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1 |r,wU:4.7,wD:1.0,(-5.46,6.47,;-5.06,4.98,;-6.15,3.89,;-5.75,2.4,;-4.27,2,;-3.18,3.09,;-3.58,4.58,;-3.87,.52,;-2.38,.12,;-1.98,-1.37,;-2.89,-2.62,;-1.98,-3.86,;-.52,-3.39,;.82,-4.16,;2.15,-3.39,;2.15,-1.85,;.82,-1.08,;.82,.46,;2.15,1.23,;3.48,.46,;4.82,1.23,;4.82,2.77,;3.48,3.54,;2.15,2.77,;.82,3.54,;-.52,-1.85,;3.48,-4.16,;3.48,-5.7,;4.82,-6.47,;6.15,-5.7,;6.15,-4.16,;4.82,-3.39,)|
OCC(CO)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCC3CCCCN3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCC3CNC3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNC3CCCNC3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCC(F)(F)F)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCCN3CCNCC3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCCC3CCCN3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCC3CCC3)c12)-c1ccccn1
OC1CCCCC1NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
CCC[C@@H](CO)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1 |r|
CC(O)CCNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
Oc1cccc(c1)N1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
Fc1cnccc1Nc1nc(nn2ccc(CN3CCN(CC3)c3ncccn3)c12)-c1ccccn1
OC1(CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1)c1ccccc1
Fc1cnccc1Nc1nc(nn2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)c12)-c1ccccn1
CN(Cc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1)C1CCN(C)CC1
CN(C)CCNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCCCn3ccnc3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNC34CC5CC(CC(C5)C3)C4)c12)-c1ccccn1 |TLB:21:22:20.19.25:26,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
CN1CCN(CCCNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
Fc1cnccc1Nc1nc(nn2ccc(CNCCN3CCCCC3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CN[C@H]3CCN(Cc4ccccc4)C3)c12)-c1ccccn1 |r|
NCCCNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
OC[C@@H](O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1 |r|
O[C@H]1CC[C@@H](CC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1 |r,wU:4.7,wD:1.0,(-5.46,6.47,;-5.06,4.98,;-6.15,3.89,;-5.75,2.4,;-4.27,2,;-3.18,3.09,;-3.58,4.58,;-3.87,.52,;-2.38,.12,;-1.98,-1.37,;-2.89,-2.62,;-1.98,-3.86,;-.52,-3.39,;.82,-4.16,;2.15,-3.39,;2.15,-1.85,;.82,-1.08,;.82,.46,;2.15,1.23,;3.48,.46,;4.82,1.23,;4.82,2.77,;3.48,3.54,;2.15,2.77,;.82,3.54,;-.52,-1.85,;3.48,-4.16,;3.48,-5.7,;4.82,-6.47,;6.15,-5.7,;6.15,-4.16,;4.82,-3.39,)|
Fc1cnccc1Nc1nc(nn2cccc12)-c1cccc(OC(F)(F)F)n1
Fc1cnccc1Nc1nc(nn2ccc(CN3CCOCC3)c12)-c1ccccn1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(F)n2)ccn1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(c2)C#N)c2cccn2n1
CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCOCC4)c23)-c2ccccn2)ccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCc3ccc4OCOc4c3)c12)-c1ccccn1
Cc1nc2ccc(NCc3ccn4nc(nc(Nc5ccncc5F)c34)-c3ccccn3)cc2s1
OCC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)COC1
Fc1cnccc1Nc1nc(nn2ccc(CNc3ccc(cc3)-c3cnco3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNc3cc([nH]n3)-c3ccccc3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNCC3CNCCO3)c12)-c1ccccn1
C[C@@H](NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1)C(C)(C)C |r|
CC(C)(NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1)c1ccccn1
CC(C)n1cc(NCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)cn1
CN1CCC(CCNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
Fc1cnccc1Nc1nc(nn2ccc(CNCCc3ccccn3)c12)-c1ccccn1
Cc1cnc(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)cn1
Fc1cnccc1Nc1nc(nn2ccc(CNc3ccc4[nH]nnc4c3)c12)-c1ccccn1
Fc1cnccc1Nc1nc(nn2ccc(CNC3CCNCC3)c12)-c1ccccn1
Cc1nnc(NCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)s1
N[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C[C@@H]1O |r|
O[C@@H](CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1)c1ccccc1 |r|
Fc1cnccc1Nc1nc(nn2ccc(CNC3CNC3)c12)-c1ccccn1
COC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
CCC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
CC(C)CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
NC(=O)c1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
CN1CCN(CC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1
Fc1ccc(nc1)-c1nc(Nc2cc(Cl)ncc2F)c2cccn2n1
CS(=O)(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
OCCN1CCN(CC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1
CC(=O)N1CCN(CC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1
CC(C)(C)CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCNCC3)c2)c2cccn2n1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2ccc(F)cn2)c(F)cn1
CC(C)(O)CNC(=O)c1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
O[C@H]1CCN(CC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)C1 |r|
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)[C@@H]3CCCN3)c2)c2cccn2n1 |r|
O[C@@H]1CCN(CC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)C1 |r|
CN1CCC(CC1)OCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCCCC3)c2)c2cccn2n1
CC(C)(O)CNCC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)c2cccn2n1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2ccc(cn2)C(F)(F)F)ccn1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2ccc(F)c(C)n2)c(F)cn1
O[C@@H]1CCN(CCC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)C1 |r|
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)C3CC3)c2)c2cccn2n1
COCC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
FC(F)(F)CCC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CCC#N)c2)c2cccn2n1
CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(F)n2)c(F)cn1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CCN3CC(F)(F)C3)c2)c2cccn2n1
CC(C)(C)C(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
COCCC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
FC(F)(F)CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
Cc1nc(ccc1F)-c1nc(Nc2ccnc(NC(=O)C3CC3)c2)c2cccn2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)ccn1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCCC3)c2)c2cc[nH]c2n1
CN1CCN(CC(=O)Nc2cc(Nc3nc(nc4[nH]ccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1
Cc1c[nH]c2nc(nc(Nc3ccncc3F)c12)-c1cccc(n1)C(F)F
CN1CCN(Cc2c[nH]c3nc(nc(Nc4ccncc4F)c23)-c2cccc(n2)C(F)F)CC1
Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1ccccn1
c1cc2c(nc(nc2[nH]1)-c1ccccn1)-n1ccc2cnccc12
Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
Cc1nc(ccc1F)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
FC(F)c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cc[nH]c2n1
Cc1nc(ccc1F)-c1nc(Nc2cc(Cl)ncc2F)c2cc[nH]c2n1
Fc1ccc(nc1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
FC(F)c1cccc(n1)-c1nc(Nc2ccnc(Cl)n2)c2cc[nH]c2n1
CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)c(F)cn1
COC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)ccn1
CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2ccc(F)c(n2)C(F)F)c(F)cn1
FC(F)c1cccc(n1)-c1nc(Nc2ccnc(c2)N2CCCC2=O)c2cc[nH]c2n1
CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2ccccn2)ccn1
CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(C)n2)ccn1
CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2ccc(cn2)C(F)(F)F)ccn1
CCC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
CC(=O)Nc1cc(Nc2nc(nc3[nH]cc(C)c23)-c2cccc(n2)C(F)F)ccn1
CC(C)(C)CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
CC(C)CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
CS(=O)(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2ccc(F)c(C)n2)ccn1
COC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
CC(=O)Nc1nccc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)c1F
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)c2cc[nH]c2n1
Cc1c[nH]c2nc(nc(Nc3ccncc3F)c12)-c1cccc(C)n1
Cc1c[nH]c2nc(nc(Nc3ccncc3F)c12)-c1cccc(n1)C(F)(F)F
CC(C)(O)CNCc1c[nH]c2nc(nc(Nc3ccncc3F)c12)-c1cccc(n1)C(F)F
CC(=O)Nc1nccc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)c1F
Cc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
CN(c1ccncc1)c1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2C(F)(F)F)c2cc[nH]c2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cc[nH]c2n1
FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)C3CC3)c2)c2cc[nH]c2n1
COc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
CC(=O)Nc1cc(Nc2nc(nc3[nH]cc(CNCC(C)(C)O)c23)-c2cccc(n2)C(F)F)ccn1
CC(=O)Nc1cc(Nc2nc(nc3[nH]cc(CNCC(C)(C)O)c23)-c2cccc(n2)C(F)F)c(F)cn1
Cc1cnccc1Nc1nc(nc2[nH]ccc12)-c1ccc(F)c(C)n1
COc1cnccc1Nc1nc(nc2[nH]ccc12)-c1ccc(F)c(C)n1
Cc1nc(ccc1F)-c1nc(Nc2ccnc(NC(=O)C3CC3)c2)c2cc[nH]c2n1
CN(c1ccncc1)c1nc(nc2[nH]ccc12)-c1cccc(NS(C)(=O)=O)n1
CS(=O)(=O)Nc1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cc[nH]c2n1
Cc1cccc(n1)-n1nccc1-c1ccc2ncsc2c1
Cc1cccc(n1)-n1nccc1-c1ccn2ncnc2c1
Cc1cccc(n1)-n1nccc1-c1cnn2ccnc2c1
Cc1cccc(n1)-n1nccc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-n1nccc1-c1ccc2nnc(C(N)=O)n2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2n1
Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2nc[nH]c2n1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O |(13.61,.14,;12.84,-1.19,;13.61,-2.53,;12.84,-3.86,;11.3,-3.86,;10.53,-2.53,;11.3,-1.19,;8.99,-2.53,;8.08,-1.28,;6.62,-1.76,;5.15,-1.28,;4.25,-2.53,;5.15,-3.77,;6.62,-3.3,;8.08,-3.77,;8.56,-5.24,;10.06,-5.56,;10.54,-7.02,;9.51,-8.17,;8,-7.85,;6.97,-8.99,;5.47,-8.67,;4.99,-7.21,;6.02,-6.06,;7.53,-6.38,;3.48,-6.89,;3.01,-5.42,;2.45,-8.03,)|
C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-6.23,1.24,;-7.56,.47,;-7.56,-1.07,;-8.89,-1.84,;-8.89,-3.38,;-7.56,-4.15,;-6.23,-3.38,;-6.23,-1.84,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
N[C@H]1CC[C@H](CC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1 |r,wU:4.7,1.0,(39.54,-37.59,;39.55,-36.05,;38.23,-35.26,;38.24,-33.73,;39.58,-32.98,;40.91,-33.75,;40.89,-35.29,;39.6,-31.44,;38.27,-30.66,;38.28,-29.12,;39.68,-28.5,;39.52,-26.97,;38.01,-26.65,;37.24,-25.32,;35.69,-25.33,;34.93,-26.65,;35.7,-27.98,;34.93,-29.32,;33.38,-29.32,;32.61,-27.98,;31.06,-27.98,;30.29,-29.32,;31.07,-30.67,;32.61,-30.66,;33.39,-31.99,;37.25,-27.98,;34.92,-24,;33.38,-24,;32.59,-22.67,;33.37,-21.32,;34.91,-21.32,;35.69,-22.65,)|
CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(OC(F)F)cn1
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1cccc(n1)C(F)F
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(Cl)cn1
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)nc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1cccc(C)n1
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1cccc(n1)C(F)(F)F
COc1ccc(nc1)-c1c([nH]c2cccnc12)-c1ccnc(NC(C)=O)c1
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(C)cn1
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cn1
COc1ccc(cn1)-c1c([nH]c2cccnc12)-c1ccnc(NC(C)=O)c1
[2H]C([2H])([2H])Oc1ccc(nc1)-c1c([nH]c2cccnc12)-c1ccnc(NC(C)=O)c1
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6
OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C(N)=O)n2c1
NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2nccn2c1
OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Cc1cccc(c1)-c1ncn(C)c1-c1ccc2nccn2c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1cc(ccn1)-c1cnn2cc(OC)c(C)nc12
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)N(C)C
COc1cnc2c(cnn2c1)-c1ccnc(OC)c1
CNc1nc2c(cnn2cc1OC)-c1ccnc(OC)c1
CNc1nc2c(cnn2cc1C1CC1)-c1ccnc(OC)c1
CCc1cn2ncc(-c3ccnc(OC)c3)c2nc1NC
CNc1nc2c(cnn2cc1C=C)-c1ccnc(OC)c1
CNc1nc2c(cnn2cc1C)-c1ccnc(OC)c1
CNc1ccn2ncc(-c3ccnc(OC)c3)c2n1
CNc1ccn2ncc(-c3cccc(OC)c3)c2n1
C1COCCOc2cccc(c2)-c2cnn3ccc(N1)nc23
COc1cc(CNC(=O)Nc2snc(OCc3cccnc3)c2C(N)=O)cc(OC)c1
Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCCC1
CCc1nc2c(cnn2cc1OC)-c1ccnc(OC)c1
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C(C)C
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C(C)(C)O
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C1CCCC1
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C1CCOC1
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)[C@H]1COC(C)(C)C1 |r|
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)[C@@H]1COC(C)(C)C1 |r|
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)-c1cc(C)no1
COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)-c1cnn(C)c1
COc1cn2ncc(-c3ccnc(OC(C)C)c3)c2nc1-c1cnn(C)c1
COc1cn2ncc(-c3ccnc(OC(C)(C)C)c3)c2nc1-c1cnn(C)c1
COc1cn2ncc(-c3ccnc(OC4CC4)c3)c2nc1-c1cnn(C)c1
COc1cn2ncc(-c3ccnc(OC4CCC4)c3)c2nc1-c1cnn(C)c1
Cn1cc(cn1)-c1nc2c(cnn2cc1OCC(C)(C)O)-c1ccnc(OC2CC2)c1
Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1
Cn1cc(cn1)-c1nc2c(cnn2cc1OCCCC(C)(C)O)-c1ccnc(OC2CC2)c1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)cc(F)c2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1
Cn1ccc2cc(ccc12)-c1c2CCCn2nc1-c1ccccn1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2n(CCCOC3CCCCO3)cnc2c1
Cn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCO)c2c1
c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
CN(C)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1
CCN(CC)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1
C1Cc2c(c(nn2C1)-c1ccccn1)-c1ccc2nc[nH]c2c1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCCC3)c2c1
Cn1cnc2cc(ccc12)-c1c2CCCn2nc1-c1ccccn1
C(COC1CCCCO1)Cn1cnc2cc(ccc12)-c1c2CCCn2nc1-c1ccccn1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCOCC3)c2c1
C1Cc2c(c(nn2C1)-c1ccccn1)-c1ccc2[nH]ccc2c1
CN(C)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(C)c2c1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2n(C)ccc2c1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCC3)c2c1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2nc[nH]c2c1
C(CN1CCCC1)Cn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
OCCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(N)=O)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)OC)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(CO)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(O)=O)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC)c(OC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC2CC2)c(OC)c1
CCNC(=O)c1c(OC)cc(cc1OC(F)F)-n1cnc2cc(ccc12)-c1cnn(CC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(C)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCO)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC(N)=O)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC#N)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCOC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(c1)C1CCOCC1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN5CCCCC5
Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(NCC#N)n2)c1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|
CC(C)OC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:12|
CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:11|
c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(CC5)C(=O)N7CCCCC7)F
Cc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11|
O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1cccc(c1)-c1ccc2[nH]ccc2c1 |c:4,t:7|
CCCC1CC(=O)C2C(C(C(=O)OC)=C(C)N=C2C1)c1ccc(cc1)-c1ccccc1 |c:16,t:13|
CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccccc1 |c:5,t:8|
CCCC1CC(=O)C2C(C(C(=O)OCC(C)C)=C(C)N=C2C1)c1ccc(cc1)C(C)(C)C |c:19,t:16|
CCCC1CC(=O)C2C(C(C(=O)OCC)=C(C)N=C2C1)c1ccc(cc1)C(C)(C)C |c:17,t:14|
COC(=O)C1C(C2=C(CC(CC2=O)c2ccc(cc2)N(C)C)N=C1C)c1ccc(cc1)-c1ccccc1 |c:24,t:6|
COC(=O)C1C(C2=C(CC(CC2=O)c2ccccc2)N=C1C)c1ccc(cc1)-c1ccccc1 |c:21,t:6|
COC(=O)C1=C(C)N=C2CC(CC(C)C)CC(=O)C2C1c1ccc(cc1)-c1ccccc1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(CC(=O)C2C1c1ccc(cc1)-c1ccccc1)C(C)C |c:4,t:7|
CCC1CC(=O)C2C(C(C(=O)OC)=C(C)N=C2C1)c1ccc(cc1)-c1ccccc1 |c:15,t:12|
COC(=O)C1=C(C)N=C2CC(C)CC(=O)C2C1c1ccc(cc1)-c1ccccc1 |c:4,t:7|
CCCC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccc(cc1)-c1ccccc1)C(=O)OCC |c:15,t:3|
COc1ccc(CNC(=O)C2=C(C)N=C3CC(C)(C)CC(=O)C3C2c2ccc(cc2)-c2ccccc2)cc1 |c:10,t:13|
COc1ccc(COC(=O)C2=C(C)N=C3CC(C)(C)CC(=O)C3C2c2ccc(cc2)-c2ccccc2)cc1 |c:10,t:13|
CC(C)CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccccc1 |c:8,t:11|
CC(C)COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccccc1 |c:7,t:10|
CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccc(cc1)-c1ccccc1)C(=O)OCC(F)(F)F |c:13,t:1|
CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccc(cc1)-c1ccccc1)C(O)=O |c:13,t:1|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1cccc(c1)-c1cccnc1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1cccc(c1)-c1cccc(Cl)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1cccc(c1)-c1ccc(OC)cc1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1cccc(c1)-c1ccccc1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccccc1F |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccccc1C |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1cccc(Cl)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccc(C)cc1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccc(cc1)C(=O)OC |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(c(F)c1)-c1ccccc1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccc2[nH]ccc2c1 |c:4,t:7|
CCOC(=O)C1=C(CC)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccccn1 |c:5,t:9|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-n1cccn1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)-c1ccccc1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)C1CCCCC1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(cc1)C(C)(C)C |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccccc1 |c:4,t:7|
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc(F)cc1 |c:4,t:7|
C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
CN1CCN(CC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F