3
Candidates
{"O": 1, "N": 5}
Ground Truth
{"N": 15}
Top-1 Prediction
0.312
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
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#1
TOP-1
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#1
TOP-1
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#1
TOP-1
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#1
TOP-1
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#1
TOP-1
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#1
TOP-1
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#1
TOP-1
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#1
TOP-1
0.18 ± 0.00
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]7(<-[n]8cccc(c4nc3cc2c1)c8c56)<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3ccc[n]->...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#2
0.10 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)<-[n]1cccc2c4nc5cc6ccccc6cc5nc4c4ccc[n]->3c4...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#3
0.06 ± 0.00
O=C([O-])c1cc[n]2->[Ru+2]3(<-[n]4ccc(C(=O)[O-])cc4-c2c1)(<-[n]1c2cc4ccccc4cc2nc2c4cccnc4c4ncccc4c21)...
#4
0.02 ± 0.00
c1ccc2cc3nc4c5ccc[n](->[Ru+2]<-[n]6cccc7c8nc9cc%10ccccc%10cc9nc8c8cccnc8c76)c5c5ncccc5c4nc3cc2c1
#4
0.02 ± 0.00
c1ccc2cc3nc4c5ccc[n](->[Ru+2]<-[n]6cccc7c8nc9cc%10ccccc%10cc9nc8c8cccnc8c76)c5c5ncccc5c4nc3cc2c1
#4
0.02 ± 0.00
c1ccc2cc3nc4c5ccc[n](->[Ru+2]<-[n]6cccc7c8nc9cc%10ccccc%10cc9nc8c8cccnc8c76)c5c5ncccc5c4nc3cc2c1