3
Candidates
{"N": 4, "O": 1, "P": 2}
Ground Truth
{"O": 3, "S": 3, "N": 4, "P": 2}
Top-1 Prediction
0.583
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
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1cccs1
#1
TOP-1
0.61 ± 0.41
CN(C)C1N=C([O][Ru+]<-[S]=1)c1cccs1
#1
TOP-1
0.53 ± 0.32
CN(C)C1N=C([O][Ru+]2(<-[S]=1)<-[n]1ccccc1-c1cccc[n]->21)c1cccs1
#1
TOP-1
0.73 ± 0.37
CN(C)C1N=C([O][Ru+]23(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)<-[P](CC[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1...
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2
0.02 ± 0.03
CN(C)C(=S)[N]1->[Ru+][O]C=1c1cccs1
#2
0.01 ± 0.02
CN(C)C1N=C([O][Ru+]2(<-[S]=1)[CH]1C=NC(c3ccccn3)=C[CH]12)c1cccs1
#2
0.03 ± 0.04
CN(C)C1N=C([O][Ru+]2(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)<-[P](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccc...
#3
0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#3
0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#3
0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#3
0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#3
0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#3
0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1