← сравнение complex #626 3D Viewer

Complex #626 — Ru(2)

GT: {"N": 3} · Δ = -0.67
{"N": 3}
Ground Truth
0.667
Single-lig
0.000
Sequential
-0.667
Δ Sequential
Single-ligand (v1) — 144 candidates
Pred: {"N": 1, "S": 1}
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
Sequential multi-lig (v2) — 144 candidates
Pred: {"N": 2, "S": 2}
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#2 CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1 0.849
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#3 CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2] 0.611
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.055
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.010
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#6 C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#9 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#10 CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2] 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#11 CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#12 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#13 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#15 CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#16 CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000
#17 CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2] 0.000