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Complex #626 — Ru(2) [II]

GT: {"S": 1, "N": 2} → Top-1: {"N": 1, "S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
21
Candidates
{"S": 1, "N": 2}
Ground Truth
{"N": 1, "S": 1}
Top-1 Prediction
0.667
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#1 TOP-1 0.85 ± 0.00
CNC1N/[N](->[Ru+2]<-[S]=1)=C(\C)c1ccc(Br)s1
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#2 0.61 ± 0.00
CNC(N/N=C(\C)c1ccc(Br)s1)=[S]->[Ru+2]
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.06 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#5 0.00 ± 0.00
C/C(=N\NC(=S)[NH](C)->[Ru+2])c1ccc(Br)s1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#6 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#7 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2]<-[cH]12
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#9 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1ccc(Br)[s]1->[Ru+2]
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#10 0.00 ± 0.00
CNC(=S)N/[N](->[Ru+2])=C(\C)c1ccc(Br)s1
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#11 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#12 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(Br)s1
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#13 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#14 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#15 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1c[cH](->[Ru+2])c(Br)s1
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]
#16 0.00 ± 0.00
CNC(=S)N/N=C(\C)c1sc(Br)c[cH]1->[Ru+2]