Compare #457 — BiometalDB

{"N": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 198 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.299

#3 CCSCC[n+]1ccn(Cc2ccccc2)[c-]1->[Ru+2] 0.103

#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.029

#5 CCSCC[n+]1ccn2C[c]34->[Ru+2]5678(<-[c-]21)<-[cH]([cH]->5[cH]->63)[cH]->7[cH]->84 0.003

#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000

#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000

#8 CCSCCn1[c-][n+](C[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->52)[cH]->6[cH]->73)cc1 0.000

#9 CCSCCn1[c-][n+](Cc2cc[cH]3->[Ru+2]<-[cH]3c2)cc1 0.000

#10 CCSCCn1[c-][n+](Cc2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)cc1 0.000

#11 CCSCCn1[c-][n+](CC2=C[CH]3[Ru+2][CH]3C=C2)cc1 0.000

#12 CCSCCn1[c-][n+](Cc2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)cc1 0.000

#13 CCSCCn1[c-][n+](CC2=CC=C[CH]3[Ru+2][CH]23)cc1 0.000

#14 CCSCCn1[c-][n+](Cc2ccc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2)cc1 0.000

#15 CCSCCn1[c-][n+](Cc2cc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)cc2)cc1 0.000

#16 CCSCCn1[c-][n+](Cc2cc[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]3c2)cc1 0.000

#17 CCSCCn1[c-][n+](CC2=C[CH]3[CH]4[CH]5[CH]2[Ru+2]345)cc1 0.000

#18 CCSCCn1[c-][n+](Cc2ccc[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]23)cc1 0.000

#19 CCSCCn1[c-][n+](Cc2cc[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]3c2)cc1 0.000

#20 CCSCCn1[c-][n+](Cc2cccc[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)cc1 0.000

#21 CCSCCn1[c-][n+](Cc2ccc[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]23)cc1 0.000

#22 CCSCCn1[c-][n+](Cc2ccc[cH](->[Ru+2])c2)cc1 0.000

#23 CCSCCn1[c-][n+](Cc2cc[cH](->[Ru+2])cc2)cc1 0.000

Sequential multi-lig (v2) — 198 candidates

Pred: {"S": 2}