3
Candidates
{"O": 1, "N": 4}
Ground Truth
{"O": 6, "N": 6}
Top-1 Prediction
0.417
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
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.18 ± 0.00
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.18 ± 0.00
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.18 ± 0.00
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.18 ± 0.00
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.18 ± 0.00
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.18 ± 0.00
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.18 ± 0.00
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.18 ± 0.00
c1ccc(-c2cc[n]3->[Ru+2]4(<-[n]5ccc(-c6ccccc6)c6ccc2c3c65)<-[n]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n]...
#1
TOP-1
0.72 ± 0.29
Oc1ccc(-c2oc3cc(O)cc4[O][Ru+]<-[O]=c(c2O)c43)c(O)c1
#1
TOP-1
0.58 ± 0.42
Oc1ccc(-c2oc3cc(O)cc4[O][Ru+]5(<-[O]=c(c2O)c43)<-[n]2ccc(-c3ccccc3)c3ccc4c(-c6ccccc6)cc[n]->5c4c32)c...
#1
TOP-1
0.41 ± 0.51
Oc1ccc(-c2oc3cc(O)cc4[O][Ru+]56(<-[O]=c(c2O)c43)(<-[n]2ccc(-c3ccccc3)c3ccc4c(-c7ccccc7)cc[n]->5c4c32...
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.02 ± 0.00
[Ru+2]<-[n]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21
#2
0.36 ± 0.13
O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc([O][Ru+])c12
#2
0.20 ± 0.44
Oc1ccc(-c2oc3cc(O)cc4[O][Ru+]56789(<-[O]=c(c2O)c43)<-[cH]2[cH]->5[cH]->6[c]->7(-c3ccnc4c3ccc3c(-c5cc...
#2
0.21 ± 0.39
Oc1ccc(-c2oc3cc(O)cc4[O][Ru+]5(<-[O]=c(c2O)c43)(<-[n]2ccc(-c3ccccc3)c3ccc4c(-c6ccccc6)ccnc4c32)<-[n]...
#3
0.00 ± 0.00
O=c1c(O)c(-c2ccc(O)cc2O)oc2c1c1[O][Ru+]<-[cH]2c(O)c1
#3
0.00 ± 0.00
O=c1c(O)c(-c2ccc(O)cc2O)oc2c1c1[O][Ru+]<-[cH]2c(O)c1
#3
0.00 ± 0.00
O=c1c(O)c(-c2ccc(O)cc2O)oc2c1c1[O][Ru+]<-[cH]2c(O)c1
#3
0.00 ± 0.00
O=c1c(O)c(-c2ccc(O)cc2O)oc2c1c1[O][Ru+]<-[cH]2c(O)c1
#3
0.00 ± 0.00
O=c1c(O)c(-c2ccc(O)cc2O)oc2c1c1[O][Ru+]<-[cH]2c(O)c1
#3
0.00 ± 0.00
O=c1c(O)c(-c2ccc(O)cc2O)oc2c1c1[O][Ru+]<-[cH]2c(O)c1