3
Candidates
{"O": 1, "N": 6}
Ground Truth
{"O": 6, "N": 8}
Top-1 Prediction
0.500
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
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.69 ± 0.00
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#1
TOP-1
0.78 ± 0.34
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+][O]2)ccc1O
#1
TOP-1
0.72 ± 0.42
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]3([O]2)<-[n]2ccccc2-c2cccc[n]->32)ccc1O
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.16 ± 0.00
c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#2
0.76 ± 0.30
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#2
0.12 ± 0.27
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]34([O]2)<-[cH]2ccnc(-c5cccc[n]->35)[cH]->42)ccc1O
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3cccc4c5nc6cc7ccccc7cc6nc5c5ccc[n]->2c5c43)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3cccc4c5nc6cc7ccccc7cc6nc5c5ccc[n]->2c5c43)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3cccc4c5nc6cc7ccccc7cc6nc5c5ccc[n]->2c5c43)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3cccc4c5nc6cc7ccccc7cc6nc5c5ccc[n]->2c5c43)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3cccc4c5nc6cc7ccccc7cc6nc5c5ccc[n]->2c5c43)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3cccc4c5nc6cc7ccccc7cc6nc5c5ccc[n]->2c5c43)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3cccc4c5nc6cc7ccccc7cc6nc5c5ccc[n]->2c5c43)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3cccc4c5nc6cc7ccccc7cc6nc5c5ccc[n]->2c5c43)nc1