Compare #6724 — BiometalDB

{"N": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 216 candidates

Pred: {"N": 1}

#2 COc1cc2oc(=O)c3-c4cccc[n]4->[Ru+2]4<-[cH]1[cH]->4c2c3 0.000

#3 COc1ccc2cc(-c3c[cH]4->[Ru+2]<-[cH]4cn3)c(=O)oc2c1 0.000

#4 COc1ccc2cc(-c3nc[cH]4->[Ru+]5<-[cH]3[cH]->54)c(=O)oc2c1 0.000

#5 COc1ccc2c(c1)oc(=O)c1-c3c[cH]4->[Ru+2](<-[cH]12)<-[cH]4cn3 0.000

#6 COc1cc2oc(=O)c3-c4ncc[cH]5->[Ru+2](<-[cH](c1)c2c3)<-[cH]45 0.000

#7 COc1ccc2cc(-c3cccc[n]3->[Ru+2])c(=O)oc2c1 0.000

#8 C[S](C)(=O)->[Ru+2] 0.000

#9 COc1ccc2cc(-c3c[cH](->[Ru+2])ccn3)c(=O)oc2c1 0.000

#10 COc1ccc2c(c1)oc(=O)c1-c3ncc[cH]4->[Ru+2](<-[cH]12)<-[cH]34 0.000

#11 COc1cc2oc(=O)c(-c3ccccn3)cc2[cH](->[Ru+2])c1 0.000

#12 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.000

#13 COc1cc2oc(=O)c3-c4nccc[cH]4->[Ru+2]4<-[cH]1[cH]->4c2c3 0.000

#14 COc1cc2oc(=O)c3-c4ncc[cH]5->[Ru+2](<-[cH]1cc2c3)<-[cH]45 0.000

#15 COc1cc2oc(=O)c3-c4c[cH]5->[Ru+2](<-[cH]1cc2c3)<-[cH]5cn4 0.000

#16 COc1cc2oc(=O)c3-c4c[cH]5->[Ru+2](<-[cH](c1)c2c3)<-[cH]5cn4 0.000

#17 COc1cc2oc(=O)c3-c4cc[cH](->[Ru+2]5<-[cH]1[cH]->5c2c3)cn4 0.000

#18 COc1cc2oc(=O)c(-c3ccccn3)cc2c[cH]1->[Ru+2] 0.000

#19 COc1ccc2cc(-c3nccc[cH]3->[Ru+2])c(=O)oc2c1 0.000

#20 COc1ccc2cc3-c4c[cH]5->[Ru+2](<-[cH]1c2oc3=O)<-[cH]5cn4 0.000

#21 COc1ccc2cc3-c4ncc[cH]5->[Ru+2](<-[cH]1c2oc3=O)<-[cH]45 0.000

#22 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.000

#23 COc1cc2oc(=O)c(-c3ccccn3)cc2[cH]2->[Ru+2]<-[cH]12 0.000

#24 COc1cc2oc(=O)c3-c4c[cH](->[Ru+2]5<-[cH]1[cH]->5c2c3)ccn4 0.000

#25 COc1ccc2cc(-c3ccccn3)c(=[O]->[Ru+2])oc2c1 0.000

Sequential multi-lig (v2) — 216 candidates

Pred: C:6(eta)