2
Candidates
{"N": 7}
Ground Truth
{"N": 6}
Top-1 Prediction
0.857
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
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.06 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#1
TOP-1
0.98 ± 0.02
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5cccc[n]5->[Ru+2]5<-[n]6ccccc6-c(c3)[n]->54)cc1)c1c(C)cc(C)n1[B-]2...
#1
TOP-1
0.87 ± 0.22
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]456(<-[n]7ccccc7-c(c2)[n]->43)<-[n]2ccccc2-c2cc(-c3ccc(C4=C7C(C)=CC...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.06 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(F)n9c(C)cc...
#2
0.16 ± 0.11
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)[n]4->[Ru+2]<-[n]5ccccc5-c4c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#2
0.12 ± 0.26
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#3
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]3<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B-](F)...
#3
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]3<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B-](F)...
#3
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]3<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B-](F)...
#3
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]3<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B-](F)...
#3
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]3<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B-](F)...
#3
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]3<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B-](F)...
#3
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]3<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B-](F)...
#3
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]3<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B-](F)...