4
Candidates
{"O": 1, "N": 2, "P": 2}
Ground Truth
{"O": 8, "N": 6, "P": 3}
Top-1 Prediction
0.294
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
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#1
TOP-1
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#1
TOP-1
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#1
TOP-1
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#1
TOP-1
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#1
TOP-1
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#1
TOP-1
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#1
TOP-1
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#1
TOP-1
0.56 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+](<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](c2ccccc2...
#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
#1
TOP-1
0.72 ± 0.41
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]3([O]2)(<-[n]2ccccc2-c2cccc[n]->32)<-[P](c2ccccc2)...
#1
TOP-1
0.58 ± 0.49
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]3([O]2)(<-[n]2ccccc2-c2cccc[n]->32)(<-[P](c2ccccc2...
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#2
0.22 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#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
#2
0.10 ± 0.21
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]3456([O]2)(<-[n]2ccccc2-c2cccc[n]->32)[CH]2C=CC=C(...
#2
0.01 ± 0.03
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]3456([O]2)(<-[n]2ccccc2-c2cccc[n]->32)(<-[P](c2ccc...
#3
0.07 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)cc1
#3
0.07 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)cc1
#3
0.07 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)cc1
#3
0.07 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)cc1