Compound Name

SMILES String

CCc1ccc(Cl)cc1-c1[nH]c(cc1C#N)-c1cc(N)ncn1

CCc1ccc(Cl)cc1-n1cc(cc1C#N)-c1cc(N)ncn1

Cc1ccc(Cl)cc1-n1cc(cc1C#N)-c1ncnc2[nH]ccc12

CCc1ccc(Cl)cc1-n1cc(cc1C#N)-c1ncnc2[nH]ccc12

Cc1ccc(Cl)cc1-c1cn(cc1C#N)-c1cc(N)ncn1

Cc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12

CCc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12

CCc1ccc(cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12)C(F)(F)F

Cc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)n(C)c1C(N)=O

CCc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)n(C)c1C(N)=O

CCc1ccc(cc1-c1cc(-c2ncnc3[nH]ccc23)n(C)c1C(N)=O)C(F)(F)F

Cc1ccc(Cl)cc1-c1nc(-c2cc(N)ncn2)n(C)c1C(N)=O

CNc1cc(ncn1)-c1cc(C(N)=O)c([nH]1)-c1cc(Cl)ccc1C

Cc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ncnc2[nH]ccc12

Cc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1nc[nH]c2nccc12

CCc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1cc(N)ncn1

CCc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ncnc2[nH]ccc12

NC(=O)c1cc([nH]c1-c1cc(ccc1Cl)C(F)(F)F)-c1cc(N)ncn1

CNc1cc(ncn1)-c1cc(C(N)=O)c([nH]1)-c1cc(ccc1Cl)C(F)(F)F

NC(=O)c1cc([nH]c1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12

Cc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F

CNc1cc(ncn1)-c1cc(C(N)=O)c([nH]1)-c1cc(ccc1C)C(F)(F)F

Cc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ncnc2[nH]ccc12)C(F)(F)F

CCc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F

CCc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1cc(NC)ncn1)C(F)(F)F

CCc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ncnc2[nH]ccc12)C(F)(F)F

Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1cc(N)ncn1

Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12

Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2CN=Cc12 |c:24|

Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnn2cccc12

Cc1ccc(Cl)cc1N1CN(C=C1C(N)=O)c1ncnc2CCNc12 |c:12|

CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1cc(N)ncn1

CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1cc(NC)ncn1

CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1ncnc2[nH]ccc12

CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnn2cccc12

CCc1ccc(Cl)cc1N1CN(C=C1C(N)=O)c1ncnc2CCNc12 |c:13|

NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1cc(N)ncn1

NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12

NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]cnc12

NC(=O)C1=CN(CN1c1cc(ccc1Cl)C(F)(F)F)c1ncnc2C=NCc12 |c:26,t:3|

NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnn2cccc12

CCc1ccc(cc1-c1cn(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F

Cc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1ncnc2[nH]ccc12

CCc1ccc(Cl)cc1-c1c(cc(-c2cc(N)ncn2)n1C)C(=O)NC |(5.69,-9.33,;5.29,-7.84,;6.38,-6.76,;7.87,-7.15,;8.95,-6.07,;8.56,-4.58,;9.64,-3.49,;7.07,-4.18,;5.98,-5.27,;4.49,-4.87,;4.02,-3.41,;2.48,-3.41,;2,-4.87,;.51,-5.27,;-.58,-4.18,;-2.06,-4.58,;-3.15,-3.49,;-2.46,-6.07,;-1.37,-7.15,;.11,-6.76,;3.25,-5.77,;3.25,-7.31,;4.79,-2.07,;4.02,-.74,;6.33,-2.07,;7.1,-.74,)|

CCc1ccc(Cl)cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;9.99,-4.66,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.91,-10.22,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,)|

CCc1ccc(Cl)cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;9.99,-4.66,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,)|

Cc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F |(5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)|

CCc1ccc(cc1-c1c(cc(-c2cc(N)ncn2)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)|

CCc1ccc(cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.91,-10.22,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)|

CCc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)|

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2CC23CC3)cc1Nc1cccc(-c2ncn(C)n2)c1OC

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2CC23CC3)cc1Nc1cccc(-c2ncn(C)n2)c1OC

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2CC23CC3)cc1Nc1nccc(-c2ncn(C)n2)c1OC

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2CC23CC3)cc1Nc1nccc(-c2ncn(C)n2)c1OC

[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)[C@H]2CC23CC3)cc1Nc1cccc(-c2ncn(C)n2)c1OC

[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)[C@@H]2CC23CC3)cc1Nc1cccc(-c2ncn(C)n2)c1OC