Compare #697 — BiometalDB

{"S": 2, "O": 2, "N": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 243 candidates

Pred: C:6(eta)

#2 c1ccc(C(=NN=[C]23->[Rh+2]456<-[c]27cccn[c]->47-[c]->52nccc[c]->623)c2ccccc2)cc1 0.005

#3 c1ccc(C(=N[N]2->[Rh+3]<-[n]3cccc4c3-c3ncccc3C=24)c2ccccc2)cc1 0.000

#4 [Rh+3]<-[N](N=C1c2cccnc2-c2ncccc21)=C(c1ccccc1)c1ccccc1 0.000

#5 c1ccc(C(=NN=C2c3ccc[n]4->[Rh+3]<-[n]5cccc2c5-c34)c2ccccc2)cc1 0.000

#6 [Rh+3]<-[n]1cccc2c1-c1ncccc1C2=NN=C(c1ccccc1)c1ccccc1 0.000

#7 c1ccc(C(=NN=C2c3cccnc3-c3ncccc32)c2cc[cH]3->[Rh+2]4<-[cH]2[cH]->43)cc1 0.000

#8 c1ccc(C(=NN=C2c3cccnc3-c3nc[cH]4->[Rh+3]<-[cH]4c32)c2ccccc2)cc1 0.000

#9 c1ccc(C2=NN=C3c4cccnc4-c4c3ccc[n]4->[Rh+3]3<-[cH]4ccc2c[cH]->34)cc1 0.000

#10 c1ccc(C(=NN=C2c3cccnc3-c3ncccc32)c2ccc[cH]3->[Rh+3]<-[cH]23)cc1 0.000

#11 C1=NC2=C(C(=NN=C(c3ccccc3)c3ccccc3)c3cccnc32)[CH]2[Rh+3][CH]12 0.000

#12 c1ccc(C2=NN=C3c4cccnc4-c4nc[cH]5->[Rh+3](<-[cH]6ccc2cc6)<-[cH]5c43)cc1 0.000

#13 c1ccc(C2=NN=C3c4cccnc4-c4nc[cH]5->[Rh+3](<-[cH]6cccc2c6)<-[cH]5c43)cc1 0.000

#14 c1ccc(C2=NN=C3c4cccnc4-c4nc[cH]5->[Rh+3](<-[cH]6ccccc62)<-[cH]5c43)cc1 0.000

#15 c1ccc(C2=NN=C3c4cccnc4-c4ncc[cH](->[Rh+3]5<-[cH]6cccc2[cH]->56)c43)cc1 0.000

#16 c1ccc(C2=NN=C3c4cccnc4-c4nc[cH](->[Rh+3]5<-[cH]6cccc2[cH]->56)cc43)cc1 0.000

#17 c1cnc2c(c1)C(=NN=C1c3cc[cH](->[Rh+3]4<-[cH]5cccc1[cH]->45)cc3)c1cccnc1-2 0.000

#18 c1cnc2c(c1)C(=NN=C1c3ccc[cH](->[Rh+3]4<-[cH]5cccc1[cH]->45)c3)c1cccnc1-2 0.000

#19 c1ccc(C2=NN=C3c4cccnc4-c4nc[cH](->[Rh+3]5<-[cH]6ccc2c[cH]->56)cc43)cc1 0.000

#20 c1cnc2c(c1)C(=NN=C1c3cc[cH]4->[Rh+3](<-[cH]5ccccc51)<-[cH]4c3)c1cccnc1-2 0.000

#21 c1cnc2c(c1)C(=NN=C1c3cc[cH](->[Rh+3]4<-[cH]5ccc1c[cH]->45)cc3)c1cccnc1-2 0.000

#22 c1cnc2c(c1)C(=NN=C1c3ccc[cH](->[Rh+3]4<-[cH]5ccc1c[cH]->45)c3)c1cccnc1-2 0.000

#23 c1ccc(C(=NN=C2c3cccnc3-c3ncccc32)[c]23->[Rh+3]4567<-[cH]([cH]->4[cH]->52)[cH]->6... 0.000

#24 c1ccc(C(=NN=C2c3cccnc3-c3ncccc32)c2c[cH]3->[Rh+3]45<-[cH]2[cH]->4[cH]->53)cc1 0.000

#25 C1=C[CH]2[CH]3C=C1C(=NN=C1c4cccnc4-c4ncccc41)C1=C[CH]4[CH](C=C1)[Rh+3]234 0.000

#26 C1=C[CH]2[CH]3C(=C1)C(=NN=C1c4cccnc4-c4ncccc41)C1=C[CH]4[CH](C=C1)[Rh+3]423 0.000

#27 C1=C(C(=NN=C2c3cccnc3-c3ncccc32)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Rh+3]243 0.000

#28 C1=C[CH]2[CH]3C(=C1)C(=NN=C1c4cccnc4-c4ncccc41)C1=CC=C[CH]4[CH]1[Rh+3]243 0.000

Sequential multi-lig (v2) — 243 candidates

Pred: {"O": 3, "S": 2}