3
Candidates
{"N": 8}
Ground Truth
{"N": 11, "O": 1}
Top-1 Prediction
0.667
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
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#1
TOP-1
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#1
TOP-1
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#1
TOP-1
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#1
TOP-1
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#1
TOP-1
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#1
TOP-1
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#1
TOP-1
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#1
TOP-1
0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2ccc(C(C)(C)C)cc2-c2cc(C(C)...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#2
0.06 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccc(C(C)(C)C)cc3-c3cc(C(...
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#3
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#4
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(Nc3ccc(Cl)c(C(F)(F)F)c3)=[O]->[Ru+2])cc2)ccn1
#4
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(Nc3ccc(Cl)c(C(F)(F)F)c3)=[O]->[Ru+2])cc2)ccn1
#4
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(Nc3ccc(Cl)c(C(F)(F)F)c3)=[O]->[Ru+2])cc2)ccn1