Compare #765 — BiometalDB

{"N": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: {"O": 1, "S": 1}

#2 CSC1C=C([O][Os+]<-[S]=1)c1cccc(O)c1 0.753

#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.246

#4 CSC(=S)/C=C(\[O][Os+])c1cccc(O)c1 0.001

#5 CSC(=S)C=C([O][Os+])c1cccc(O)c1 0.000

#6 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000

#7 CSC(=S)C=C([O-]->[Os+2])c1cccc(O)c1 0.000

#8 C[S](->[Os+2])C(=S)C=C([O-])c1cccc(O)c1 0.000

#9 CSC(=S)C=C([O-])c1cccc([OH]->[Os+2])c1 0.000

#10 CSC(=S)C=C([O-])c1cc(O)[cH]2->[Os+2]<-[cH]2c1 0.000

#11 CSC(=S)C=C([O-])c1cc(O)c[cH]2->[Os+2]<-[cH]12 0.000

#12 CSC(=S)C=C([O-])c1cc(O)[cH]2->[Os+]3<-[cH]1[cH]->32 0.000

#13 CSC(=S)[CH](->[Os+2])=C([O-])c1cccc(O)c1 0.000

#14 CSC(=S)C=C([O-])c1cc[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(O)c1 0.000

#15 CSC(=S)C=C([O-])c1cc(O)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]2c1 0.000

#16 CSC(=S)C=C([O-])c1cc(O)cc[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#17 CSC(=S)C=C([O-])c1cc(O)c[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000

#18 CSC(=S)C=C([O-])c1cc(O)c[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000

#19 CSC(=S)C=C([O-])c1cccc(O)[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#20 CSC(=S)C=C([O-])c1cc(O)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]2c1 0.000

#21 CSC(=S)C=C([O-])c1cc(O)c[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000

#22 CSC(=S)C=C([O-])c1cc(O)c[cH](->[Os+2])c1 0.000

#23 CSC(=S)C=C([O-])c1cc(O)cc[cH]1->[Os+2] 0.000

#24 CSC(=S)C=C([O-])c1cccc(O)[cH]1->[Os+2] 0.000

Sequential multi-lig (v2) — 207 candidates

Pred: {"N": 2}