Compare #420 — BiometalDB

{"N": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 234 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.405

#3 Cn1c2ccccc2[n+]2CC(c3ccccc3)[O](C)->[Ru+2]<-[c-]12 0.028

#4 COC(Cn1[c-][n+](C)c2c1[CH]1[CH]3[CH]4[CH]2[Ru+2]134)c1ccccc1 0.000

#5 COC(Cn1[c-][n+](C)c2ccccc21)[c]12->[Ru+2]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]-... 0.000

#6 COC(Cn1[c-][n+](C)c2cc[cH]3->[Ru+2]<-[cH]3c21)c1ccccc1 0.000

#7 COC(Cn1[c-][n+](C)c2c1c[cH]1->[Ru+]3<-[cH]2[cH]->31)c1ccccc1 0.000

#8 COC(Cn1[c-][n+](C)c2ccccc21)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#9 COC(Cn1[c-][n+](C)c2ccccc21)c1cc[cH]2->[Ru+2]<-[cH]2c1 0.000

#10 COC(Cn1[c-][n+](C)c2ccccc21)C1=C[CH]2[Ru+2][CH]2C=C1 0.000

#11 COC1Cn2[c-][n+](C)c3c2cc[cH]2->[Ru+2](<-[cH]4cccc1c4)<-[cH]32 0.000

#12 COC1Cn2[c-][n+](C)c3c2ccc[cH]3->[Ru+2]2<-[cH]3cccc1[cH]->23 0.000

#13 COC1Cn2[c-][n+](C)c3c2cc[cH]2->[Ru+2](<-[cH]4ccc1cc4)<-[cH]32 0.000

#14 COC1Cn2[c-][n+](C)c3c2ccc[cH]3->[Ru+2]2<-[cH]3ccc1c[cH]->23 0.000

#15 COC1Cn2[c-][n+](C)c3cc[cH]4->[Ru+2](<-[cH]5ccccc51)<-[cH]4c32 0.000

#16 COC(Cn1[c-][n+](C)c2ccccc21)C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234 0.000

#17 COC(Cn1[c-][n+](C)c2cc[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]3c21)c1ccccc1 0.000

#18 COC1Cn2[c-][n+](C)c3cc[cH]4->[Ru+2](<-[cH]5cccc1c5)<-[cH]4c32 0.000

#19 COC1Cn2[c-][n+](C)c3ccc[cH](->[Ru+2]4<-[cH]5cccc1[cH]->45)c32 0.000

#20 COC(Cn1[c-][n+](C)c2ccccc21)c1ccc[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000

#21 COC1Cn2[c-][n+](C)c3cc[cH]4->[Ru+2](<-[cH]5ccc1cc5)<-[cH]4c32 0.000

#22 COC(Cn1[c-][n+](C)c2c[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)ccc21)c1ccccc1 0.000

#23 COC1Cn2[c-][n+](C)c3cc[cH](->[Ru+2]4<-[cH]5ccc1c[cH]->45)cc32 0.000

#24 COC1Cn2[c-][n+](C)c3c[cH]4->[Ru+2](<-[cH]5cccc1c5)<-[cH]4cc32 0.000

#25 COC1Cn2[c-][n+](C)c3c[cH]4->[Ru+2](<-[cH]5ccc1cc5)<-[cH]4cc32 0.000

#26 COC(Cn1[c-][n+](C)c2c[cH](->[Ru+2])ccc21)c1ccccc1 0.000

#27 COC(Cn1[c-][n+](C)c2ccc[cH](->[Ru+2])c21)c1ccccc1 0.000

Sequential multi-lig (v2) — 234 candidates