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― CBLB_895
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Rule of Five (Ro5)
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MCF
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=N[NH]C4=C3C=CC=C4
Ro5
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=N[NH]C4=C3C=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=N[NH]3)C4=CC=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=N[NH]3)C4=CC=CC=C4
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COC1=CC=CC(=C1)C2=N[NH]C(=C2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC=C(CO)C=C4
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)[N]3N=CC(=N3)C4=CC=CC(=C4)Cl
Ro5
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)[N]3N=CC(=N3)C4=CC=C(Cl)C=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC=C(C=C4)C#N
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC(=CC=C4)C#N
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COC1=CC=C(C=C1)C2=N[N](N=C2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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COC1=CC=CC(=C1)C2=N[N](N=C2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC(=CC=C4)C(N)=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC=C(C=C4)C(N)=O
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CNC(=O)C1=CC=CC(=C1)C2=N[N](N=C2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CNC(=O)C1=CC=C(C=C1)C2=N[N](N=C2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC(=CC=C4)C(O)=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3N=CC(=N3)C4=CC=C(C=C4)C(O)=O
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CC(SC1=NN=C[N]1C)C2=CC(=NC=C2)[N]3N=CC(=N3)C4=CC=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC(=CC=C4)CO
Ro5
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC=C(CO)C=C4
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COC1=CC=C(C=C1)C2=C[N](N=N2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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COC1=CC=CC(=C1)C2=C[N](N=N2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)[N]3C=C(N=N3)C4=CC=CC(=C4)Cl
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)[N]3C=C(N=N3)C4=CC=C(Cl)C=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC=C(C=C4)C#N
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC(=CC=C4)C#N
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC(=CC=C4)C(N)=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC=C(C=C4)C(N)=O
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CNC(=O)C1=CC=CC(=C1)C2=C[N](N=N2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CNC(=O)C1=CC=C(C=C1)C2=C[N](N=N2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC(=CC=C4)C(O)=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)[N]3C=C(N=N3)C4=CC=C(C=C4)C(O)=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC(=CC=C4)C
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC=C(C)C=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC=C(CO)C=C4
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)C3=CC(=NO3)C4=CC=CC(=C4)Cl
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)C3=CC(=NO3)C4=CC=C(Cl)C=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC(=CC=C4)C#N
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC=C(C=C4)C#N
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC(=CC=C4)C(F)(F)F
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COC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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COC1=CC=CC(=C1)C2=NOC(=C2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CNC(=O)C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=CC(=C3)C(C)SC4=NN=C[N]4C
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=CC=C(C=C4)C(O)=O
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)C3=CC(=NO3)C4=CC=C(C=C4)[S](C)(=O)=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)C3=CC(=NO3)C4=NC=CC=C4
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CC(SC1=NN=C[N]1C)C2=CC(=NC=C2)C3=CC(=NO3)C4=CC=CC=C4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=CC(=N[NH]3)C4=NC=CC=C4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=CC(=N[NH]3)C4=NC=CC=N4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=C4N=C(C=CC4=N[NH]3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=N[NH]C4=CC=CN=C34
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=N[NH]C4=C3N=C(C)C=C4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=N[NH]C4=CC(=CN=C34)C5CCC5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=C4N=C(C=C(N5CC(O)C5)C4=N[NH]3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=C4N=C(C=C(N5CCC(O)C5)C4=N[NH]3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=C4N=C(C=C(N5CCC(O)C5)C4=N[NH]3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=C4N=C(C=C(N5CCC(O)CC5)C4=N[NH]3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=N[NH]C4=C(C=CN=C34)N5CCC(O)CC5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C3=C4N=C(C=C(CN5CCC(F)C5)C4=N[NH]3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)N3CCC4=CC=CN=C34
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)N3CC(C)(C)C4=CC=CN=C34
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)N3CCCC4=CC=CN=C34
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)N4CC5(CCNCC5)C6=CC=CN=C46
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CN1CCC2(CC1)CN(C(=O)NC3=CC(=CC=C3)C4(COC4)CC5=NN=C[N]5C)C6=NC=CC=C26
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C[N]1C=NN=C1C2CC2C3=CC=CC(=C3)NC(=O)N4CCOC5=CC=CN=C45
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C[N]1C=NN=C1C2CC2C3=CC=CC(=C3)NC(=O)N4CCOC5=CC=CN=C45
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)N3CCOC4=CC=CN=C34
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)N3CC(C)(C)OC4=CC=CN=C34
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)N3CCOC4=CC(=CN=C34)Br
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)N4CCOC5=CC=CN=C45
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C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC(=CC=C2)NC(=O)N3CCOC4=CC=CN=C34
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)N4CC5(CNC5)OC6=CC=CN=C46
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CN1CC2(C1)CN(C(=O)NC3=CC(=CC=C3)C4(COC4)CC5=NN=C[N]5C)C6=NC=CC=C6O2
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)N4CC5(CCNC5)OC6=CC=CN=C46
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C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC(=CC=C2)NC(=O)N3CC4(CNC4)OC5=CC=CN=C35
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)N3CC4=C(C3)C(=CC=C4)C
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(Br)C=CC=C4C3=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CN=C4C5CC5)C3=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CN=C4C5CCC5)C3=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C)N=C4C5CC5)C3=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(N=C4C5CC5)C6CC6)C3=O
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CC(C)C1=NC=CC2=C1CN(C3=CC(=CC=C3)C(C)CC4=NN=C[N]4C)C2=O
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(C)N=C5C6CC6)C4=O
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(N=C5C6CC6)C7CC7)C4=O
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C[N]1C=NN=C1C(F)(F)C2(COC2)C3=CC(=CC=C3)N4CC5=C(C=C(C)N=C5C6CC6)C4=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CN=C4C(F)(F)F)C3=O
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C[N]1C=NN=C1C2CC2C3=CC=CC(=C3)N4CC5=C(C=CN=C5C(F)(F)F)C4=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CN=C4C(C)(C)F)C3=O
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=CN=C5C(F)(F)F)C4=O
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(CN6CCCC6)N=C5C7CC7)C4=O
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CC(N1CCCC1)C2=CC3=C(CN(C3=O)C4=CC(=CC=C4)C5(COC5)CC6=NN=C[N]6C)C(=N2)C7CC7
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CC(N1CCCCC1)C2=CC3=C(CN(C3=O)C4=CC(=CC=C4)C5(COC5)CC6=NN=C[N]6C)C(=N2)C7CC7
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CC(N1CC2(CC2)C1)C3=CC4=C(CN(C4=O)C5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C)C(=N3)C8CC8
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Substructure Search
Nearest Neighbor Search
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