3
Candidates
{"N": 6}
Ground Truth
{"N": 13}
Top-1 Prediction
0.462
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
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.85 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#2
0.15 ± 0.00
c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3ccc[n]->6c3c21
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#3
0.12 ± 0.00
c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42
#4
0.01 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8nc%10ccccc%10[n]->6c98)<-[n]6cccc(c6c45)c3...
#4
0.01 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8nc%10ccccc%10[n]->6c98)<-[n]6cccc(c6c45)c3...
#4
0.01 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8nc%10ccccc%10[n]->6c98)<-[n]6cccc(c6c45)c3...