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Complex #456 — Ru(2) [3]

GT: {"N": 6} → Top-1: {"N": 9}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
2
Candidates
{"N": 6}
Ground Truth
{"N": 9}
Top-1 Prediction
0.667
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring. For sequential results only top-1 prediction is stored.
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#1 TOP-1 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[cH]3->[Ru+2]<-[cH]13)c1c(C)c...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#2 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n]5->[Ru+2](<-[n]6ccccc6-c5c4)<-[NH]4C(O)=N[C@@H...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#3 0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc5-c6ncc[cH]7->[Ru+2](<-[cH]67)<-[n]6ccccc6-c(c4)n5)cc3)cc1)c...
#4 0.00 ± 0.00
OC1=N[C@@H]2CS[C@H](CCCCC3NCCCOc4ccc(-c5cc(-c6ccccn6)[n](->[Ru+2]<-[O]=3)c(-c3ccccn3)c5)cc4)[C@@H]2N...
#4 0.00 ± 0.00
OC1=N[C@@H]2CS[C@H](CCCCC3NCCCOc4ccc(-c5cc(-c6ccccn6)[n](->[Ru+2]<-[O]=3)c(-c3ccccn3)c5)cc4)[C@@H]2N...
#4 0.00 ± 0.00
OC1=N[C@@H]2CS[C@H](CCCCC3NCCCOc4ccc(-c5cc(-c6ccccn6)[n](->[Ru+2]<-[O]=3)c(-c3ccccn3)c5)cc4)[C@@H]2N...