2
Candidates
{"N": 8}
Ground Truth
{"N": 9}
Top-1 Prediction
0.889
Match Score
⚠ 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)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#1
TOP-1
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#1
TOP-1
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#1
TOP-1
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#1
TOP-1
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#1
TOP-1
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#1
TOP-1
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#1
TOP-1
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#1
TOP-1
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2]<-[cH]34)cc1)c1c(C)c...
#2
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...
#2
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...
#2
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...
#2
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...
#2
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...
#2
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...
#2
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...
#2
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...
#2
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(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)[n](->[Ru+2]<-[n]5c(-c6ccccn6)cc(-c6ccc(C#Cc7ccc(...
#4
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5cccc[n]5->[Ru+2]5<-[n]6ccccc6-c6cc(-c7ccc(C...
#4
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5cccc[n]5->[Ru+2]5<-[n]6ccccc6-c6cc(-c7ccc(C...
#4
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5cccc[n]5->[Ru+2]5<-[n]6ccccc6-c6cc(-c7ccc(C...