3
Candidates
{"N": 6}
Ground Truth
{"N": 8}
Top-1 Prediction
0.000
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
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.04 ± 0.00
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->...
#1
TOP-1
0.96 ± 0.05
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]<-[n]4cccc1c4c23
#1
TOP-1
0.14 ± 0.28
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[n]7cccc1c7c23)[CH]1C=C(c2ccnc3c2ccc2c(-c7ccccc7)ccn...
#1
TOP-1
0.02 ± 0.05
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[n]7ccc(-c8ccccc8)c8ccc9c(-c%10ccccc%10)ccnc9c87)(<-...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.02 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]1<-[n]2ccc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc[n]->1c...
#2
0.16 ± 0.17
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2](<-[n]1c(O)c(F)c2)<-[n]1cccc3c1c45
#2
0.05 ± 0.09
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)c...
#2
0.01 ± 0.02
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4567(<-[n]8cccc1c8c23)(<-[n]1ccc(-c2ccccc2)c2ccc3c(-c8cccc...
#3
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#3
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#3
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#3
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#3
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#3
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21