3
Candidates
{"N": 6}
Ground Truth
{"N": 15}
Top-1 Prediction
0.400
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
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#1
TOP-1
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#1
TOP-1
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#1
TOP-1
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#1
TOP-1
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#1
TOP-1
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#1
TOP-1
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#1
TOP-1
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#1
TOP-1
0.37 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]1<-[n]2ccccc2-c2c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#2
0.05 ± 0.00
COc1cc2c(cc1OCCNC(=O)CCC(=O)Nc1cc3cccnc3c3ncccc13)c(Nc1ccc(F)c(Cl)c1)nc[n]2->[Ru+2]12(<-[n]3ccccc3-c...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#3
0.04 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4cccnc4c4c1ccc[n]4->[Ru+2]1(<-[n]4ccccc4-c4cccc[n]->14)<-[n]2cnc3Nc...
#4
0.02 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4ccc[n](->[Ru+2]<-[n]2cnc3Nc2ccc(F)c(Cl)c2)c4c2ncccc12
#4
0.02 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4ccc[n](->[Ru+2]<-[n]2cnc3Nc2ccc(F)c(Cl)c2)c4c2ncccc12
#4
0.02 ± 0.00
COc1cc2c3cc1OCCNC(=O)CCC(=O)Nc1cc4ccc[n](->[Ru+2]<-[n]2cnc3Nc2ccc(F)c(Cl)c2)c4c2ncccc12