Compound Name

SMILES String

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1

CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1 |r|

CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)ncc1F

CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F

CC1CCCn2c1nc1c(F)cc(cc21)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1

CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCC5(CC5)n4c3c2)nc1

CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1

C[C@@H]1COCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@@H](C)n5c4c3)nc2)CC1 |r|

C[C@H]1COCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCN(CC3)C3CC3)c2n1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(CC(F)(F)C4)C3)c2n1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1

CN1CCN(CC1)c1ccc(Nc2ncc3ccnc(N4CCC5(CC(F)(F)C5)C4)c3n2)cc1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC(C3)(C#N)C3CC3)c2n1

CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3ccnc(N4CCC5(CC(F)(F)C5)C4)c3n2)nc1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(C3)CCOCC4)c2n1

CN1CCn2nc(Nc3ncc4ccnc(N5CCC6(CC6(F)F)C5)c4n3)cc2C1

CN1CC2(C1)CN(CC2(F)F)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc12

CN1CC2(C1)CN(CC2(F)F)c1nc(C)cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12

CN1CC2(C1)CN(CC2(F)F)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc12

CS(=O)(=O)N1CC(C1)Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1

CN1C[C@H]2[C@@H](C1)[C@@H]2Nc1ncc2ccnc(N3CCC4(CCN(C4)S(C)(=O)=O)C3)c2n1 |r|

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(C3C[C@@H]4[C@H](C3)S(=O)(=O)c3ccccc43)c2n1 |r|

CN1C[C@H]2[C@@H](C1)[C@@H]2Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1 |r|

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CC4(CCCC4)c4c3cccc4F)c2n1

CN1CCC(CC1)n1cc(Nc2ncc3ccnc(N4CCC5(CC5(F)F)C4)c3n2)cn1

CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3ccnc(N4CCC5(CC5(F)F)C4)c3n2)nc1

CN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(CC6(F)F)C5)c4n3)nc2C1

CN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(CCN(C6)S(C)(=O)=O)C5)c4n3)cc2C1

CN1Cc2ccc(Nc3ncc4ccnc(N5CC6(C5)CS(=O)(=O)C6)c4n3)cc2C1

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNC2

CN1CC2(CC(C2)n2cc(Nc3ncc4cc(C)nc(N5CC6(C5)CN(C6)S(C)(=O)=O)c4n3)cn2)C1

CN1CC2(C1)CN(C2)c1nc(C)cc2cnc(Nc3ccc4CN(Cc4c3)S(C)(=O)=O)nc12

CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC(C4)(C#N)C4CC4)c3n2)cc1

CN1CC2(C1)CN(C2)c1nc(C)cc2cnc(Nc3ccc4CN(Cc4c3)C3CN(C3)S(C)(=O)=O)nc12

CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CC5(C4)CS(=O)(=O)C5)c3n2)cc1

CN1CC2(C1)CN(C2)c1nc(C)cc2cnc(N\C(C=N)=C\NC3CN(CC#N)C3)nc12

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CNC2)C1

CN1CC2(CC(C2)n2cc(Nc3ncc4cc(C)nc(N5CCC6(CC6(F)F)C5)c4n3)cn2)C1

CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC5(CC5(F)F)C4)c3n2)cc1

CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC5(C4)CCOCC5)c3n2)cc1

CN(C)C1(Cn2cc(Nc3ncc4cc(C)nc(N5CCC6(CC6(F)F)C5)c4n3)cn2)CC1

Cc1cc2cnc(Nc3cc4CN(Cc4cc3F)S(C)(=O)=O)nc2c(n1)N1CC2(CNC2)C1

CN(C)C1(Cn2cc(Nc3ncc4cc(C)nc(N5CCC(C5)(C#N)C5CC5)c4n3)cn2)CC1

Cc1cc2cnc(Nc3cc4CN(Cc4cc3F)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCNC2

CN(C)C[C@H]1CC[C@@H](CC1)Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1 |r,wU:7.10,wD:4.3,(-8.46,-4.26,;-7.13,-3.49,;-7.13,-1.95,;-5.79,-4.26,;-4.46,-3.49,;-3.13,-4.26,;-1.79,-3.49,;-1.79,-1.95,;-3.13,-1.18,;-4.46,-1.95,;-.46,-1.18,;.88,-1.95,;.88,-3.49,;2.21,-4.26,;3.54,-3.49,;4.88,-4.26,;6.21,-3.49,;7.54,-4.26,;6.21,-1.95,;4.88,-1.18,;4.88,.36,;3.63,1.26,;4.11,2.73,;5.65,2.73,;5.81,4.26,;7.05,3.36,;8.3,2.45,;8.46,3.98,;6.12,1.26,;3.54,-1.95,;2.21,-1.18,)|

Cc1cc2cnc(NC3CCC(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CC2(F)F)C1 |(6.88,-3.59,;5.54,-2.82,;4.21,-3.59,;2.88,-2.82,;1.54,-3.59,;.21,-2.82,;.21,-1.28,;-1.13,-.51,;-2.46,-1.28,;-3.79,-.51,;-5.13,-1.28,;-5.13,-2.82,;-3.79,-3.59,;-2.46,-2.82,;-6.46,-3.59,;-7.79,-4.36,;-7.23,-2.26,;-5.69,-4.93,;1.54,-.51,;2.88,-1.28,;4.21,-.51,;5.54,-1.28,;4.21,1.03,;2.96,1.93,;3.44,3.4,;4.98,3.4,;5.14,4.93,;6.39,4.02,;7.63,3.12,;7.79,4.65,;5.46,1.93,)|

Cc1cc2cnc(NC3CCC(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(CN(C2)C2CC2)C1 |(7.34,-5.26,;6,-4.49,;4.67,-5.26,;3.33,-4.49,;2,-5.26,;.67,-4.49,;.67,-2.95,;-.67,-2.18,;-2,-2.95,;-3.33,-2.18,;-4.67,-2.95,;-4.67,-4.49,;-3.33,-5.26,;-2,-4.49,;-6,-5.26,;-7.34,-6.03,;-6.77,-3.92,;-5.23,-6.59,;2,-2.18,;3.33,-2.95,;4.67,-2.18,;6,-2.95,;4.67,-.64,;5.76,.45,;4.67,1.54,;5.76,2.63,;4.67,3.72,;3.58,2.63,;4.67,5.26,;5.44,6.59,;3.9,6.59,;3.58,.45,)|

CN1CC2CC1CC2Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1

CN1Cc2ccc(Nc3ncc4cc(C)nc(N5CC6(CN(C6)C6CC6)C5)c4n3)cc2C1

CN(C)C[C@H]1CC[C@H](CC1)Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1 |r,wU:7.10,4.3,(-8.46,-4.26,;-7.13,-3.49,;-7.13,-1.95,;-5.79,-4.26,;-4.46,-3.49,;-4.46,-1.95,;-3.13,-1.18,;-1.79,-1.95,;-1.79,-3.49,;-3.13,-4.26,;-.46,-1.18,;.88,-1.95,;.88,-3.49,;2.21,-4.26,;3.54,-3.49,;4.88,-4.26,;6.21,-3.49,;7.54,-4.26,;6.21,-1.95,;4.88,-1.18,;4.88,.36,;3.63,1.26,;4.11,2.73,;5.65,2.73,;5.81,4.26,;7.05,3.36,;8.3,2.45,;8.46,3.98,;6.12,1.26,;3.54,-1.95,;2.21,-1.18,)|

FC(F)c1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNC2

Cc1cc2cnc(Nc3ccc4CN(Cc4c3)C3CC3)nc2c(n1)N1CC2(C1)CCNC2

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CN(C2)C2CC2)C1

CN1CCC2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc23)C1

FC(F)c1cc2cnc(Nc3ccc4CN(Cc4c3)C3CC3)nc2c(n1)N1CC2(C1)CCNC2

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCCC3)nc2c(n1)N1CC2(C1)CCNC2

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CCC2(F)F)C1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CC(F)(F)C2)C1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CC2)C1

FC(F)c1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCC3)nc2c(n1)N1CC2(C1)CCNC2

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(O)(C1)C1CC1

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(C1)OC1CC1

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CCC(C1)OC(F)F

CN1CC2(C1)CCN(C2)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3(C)CC3)nc12

CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N3CC4(CNC4)C(F)(F)C3)c2n1)C1CC1

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNCC2(F)F

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3(C)CC3)nc2c(n1)C1CC(C)(O)C1 |(8,-3.3,;6.67,-2.53,;5.33,-3.3,;4,-2.53,;2.67,-3.3,;1.33,-2.53,;1.33,-.99,;,-.22,;-1.33,-.99,;-1.33,-2.53,;-2.67,-3.3,;-4,-2.53,;-4,-.99,;-2.67,-.22,;-5.33,-3.3,;-6.1,-1.96,;-4.56,-4.63,;-6.67,-4.07,;-5.33,-4.84,;-8,-4.84,;-8,-3.3,;2.67,-.22,;4,-.99,;5.33,-.22,;6.67,-.99,;5.33,1.32,;4.25,2.41,;5.33,3.5,;6.1,4.84,;4.56,4.84,;6.42,2.41,)|

COCCN1CC2(C1)CN(C2)c1nc(cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCC3)nc12)C1CC1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N3CC4(C3)CNCCC4(F)F)c2n1)C(F)F

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CC(O)C2)C1

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CCC3(C)CC3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(CCF)(C1)C#N

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(C)(CO)C1 |(7.34,-3.52,;6,-2.75,;4.67,-3.52,;3.33,-2.75,;2,-3.52,;.67,-2.75,;.67,-1.21,;-.67,-.44,;-2,-1.21,;-2,-2.75,;-3.33,-3.52,;-4.67,-2.75,;-4.67,-1.21,;-3.33,-.44,;-6,-3.52,;-7.34,-4.29,;-6.77,-2.18,;-5.23,-4.85,;2,-.44,;3.33,-1.21,;4.67,-.44,;6,-1.21,;4.67,1.1,;3.58,2.19,;4.67,3.28,;3.58,4.37,;5.29,4.69,;6.83,4.85,;5.76,2.19,)|

CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N3CC4(C3)CNCCO4)c2n1)C1CC1

COC1CC2(C1)CN(C2)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc12

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(C1)N1CC(F)C1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(CC(O)C2)C1

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(CS(C)(=O)=O)C1

COC1CC2(C1)CN(C2)c1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C1CC1

COC1CC2(C1)CN(C2)c1nc(C)cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCC(=O)N2

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CC(C)(O)C2

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CC(C)(O)C2

COCCN1CC2(CC(C2)c2nc(cc3cnc(NC4CCN(CC4)S(=O)(=O)CC4CCC4)nc23)C2CC2)C1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNC(=O)C2

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCC(=O)NC2

Cc1cc2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c(n1)N1CC(O)(C1)C1CC1

CN1CCOC2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2(F)F

Cc1cc2cnc(N[C@@H]3CCOC[C@H]3O)nc2c(n1)N1CC(O)(C1)C1CC1 |r|

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc2c(n1)N1CC2(C1)CCNCC2(F)F

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(O)(C1)C1CC1 |(7.34,-4.17,;6,-3.4,;4.67,-4.17,;3.33,-3.4,;2,-4.17,;.67,-3.4,;.67,-1.86,;-.67,-1.09,;-2,-1.86,;-2,-3.4,;-3.33,-4.17,;-4.67,-3.4,;-4.67,-1.86,;-3.33,-1.09,;-6,-4.17,;-7.34,-4.94,;-6.77,-2.84,;-5.23,-5.5,;2,-1.09,;3.33,-1.86,;4.67,-1.09,;6,-1.86,;4.67,.45,;5.76,1.54,;4.67,2.63,;5.44,3.96,;3.58,1.54,;3.9,3.96,;3.9,5.5,;2.56,4.73,)|

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCNCC2(F)F

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC(O)(C1)C(F)F

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(CNC2)C(F)(F)C1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(O)(C1)C(F)F |(7.34,-4.07,;6,-3.3,;4.67,-4.07,;3.33,-3.3,;2,-4.07,;.67,-3.3,;.67,-1.76,;-.67,-.99,;-2,-1.76,;-2,-3.3,;-3.33,-4.07,;-4.67,-3.3,;-4.67,-1.76,;-3.33,-.99,;-6,-4.07,;-7.34,-4.84,;-6.77,-2.73,;-5.23,-5.4,;2,-.99,;3.33,-1.76,;4.67,-.99,;6,-1.76,;4.67,.55,;5.76,1.64,;4.67,2.73,;5.44,4.07,;3.58,1.64,;3.9,4.07,;2.36,4.07,;4.67,5.4,)|

Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3ccn(C)n3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1

CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)nc(N3CC4(CNC4)C(F)(F)C3)c2n1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2F

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2C(F)F

CN1CC2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)(F)C1

CN1C[C@H](F)C2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1 |r|

CN1C[C@@H](F)C2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1 |r|

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|