Compare #748 — BiometalDB

{"N": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 261 candidates

Pred: C:6(eta)

#2 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.159

#3 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.014

#4 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.007

#5 C1=C[CH]2[Ru+2][CH]2C=C1 0.004

#6 CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C([n+]2[c-]n(C)cc2)[O](->[Ru+2])C1OC(C)=O 0.000

#7 CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C([n+]2[c-]n(C)cc2)[O]2->[Ru+2]<-[O]=C(C)OC12 0.000

#8 CC(=O)OC1C2COC(C)=[O]->[Ru+2]<-[O](C2OC(C)=O)C([n+]2[c-]n(C)cc2)C1OC(C)=O 0.000

#9 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O](C1OC(C)=O)C([n+]1[c-]n(C)cc1)C2OC(C)=O 0.000

#10 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C(OC(C)=O)C1COC(C)=[O]->[Ru+2] 0.000

#11 CC(=O)OCC1C(OC(C)=[O]->[Ru+2])OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1OC(C)=O 0.000

#12 CC(=O)OCC1C(OC(C)=O)C2[O](->[Ru+2]<-[O](C1OC(C)=O)C2[n+]1[c-]n(C)cc1)C(C)=O 0.000

#13 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OC(C1OC(C)=O)C([n+]1[c-]n(C)cc1)O2 0.000

#14 CC(=O)OC1C2COC(C)=[O]->[Ru+2]<-[O]=C(C)OC2OC([n+]2[c-]n(C)cc2)C1OC(C)=O 0.000

#15 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OC1C(OC(C)=O)C([n+]1[c-]n(C)cc1)O2 0.000

#16 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OC12 0.000

#17 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OCC12 0.000

#18 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O](C(C)=O)C(C1OC(C)=O)C([n+]1[c-]n(C)cc1)O2 0.000

#19 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C2OC(C)=[O]->[Ru+2]<-[O](C(C)=O)C12 0.000

#20 CC(=O)OCC1C(OC(C)=O)C2OC(C)=[O]->[Ru+2]<-[O](C(C)=O)C1OC2[n+]1[c-]n(C)cc1 0.000

#21 CC(=O)OC1C2COC(C)=[O]->[Ru+2]<-[O](C(C)=O)C2OC([n+]2[c-]n(C)cc2)C1OC(C)=O 0.000

#22 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O](C(C)=O)C1C(OC(C)=O)C([n+]1[c-]n(C)cc1)O2 0.000

#23 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C2OC(C)=[O]->[Ru+2]<-[O](CC1C2OC(C)=O)C(C)=O 0.000

#24 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C2[O](->[Ru+2]<-[O]=C(C)OCC12)C(C)=O 0.000

#25 CC(=O)OC1C2C[O](->[Ru+2]<-[O]=C(C)OC2OC([n+]2[c-]n(C)cc2)C1OC(C)=O)C(C)=O 0.000

#26 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O](C(C)=O)C1OC([n+]1[c-]n(C)cc1)C2OC(C)=O 0.000

#27 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1[O](->[Ru+2])C(C)=O 0.000

#28 CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C([n+]2[c-]n(C)cc2)OC1[O](->[Ru+2])C(C)=O 0.000

#29 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C(OC(C)=O)C1C[O](->[Ru+2])C(C)=O 0.000

#30 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C([O](->[Ru+2])C(C)=O)C1OC(C)=O 0.000

Sequential multi-lig (v2) — 261 candidates