Compare #580 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: C:6(eta)

#2 CC(C)c1cccc(C(C)C)c1/N=C/C1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001

#3 CC(C)c1cccc(C(C)C)c1/N=C/c1c(N)c[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#4 CC(C)c1c[cH]2->[Ru+2]<-[cH]2c(C(C)C)c1/N=C/c1ccccc1N 0.000

#5 CC(C)c1c(/N=C/c2ccccc2N)c(C(C)C)[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#6 CC(C)c1cccc(C(C)C)c1/N=C/c1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#7 CC(C)c1cccc(C(C)C)c1/N=C/C1=C(N)C=C[CH]2[Ru+2][CH]12 0.000

#8 CC(C)c1cccc(C(C)C)c1/N=C/C1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]234 0.000

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

#10 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(/C=N/c4c(C(C)C)cccc4C(C)C)c3N)<-[cH]12 0.000

#11 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(/C=N/c4c(C(C)C)cccc4C(C)C)c(N)[cH]->23)c1 0.000

#12 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(C(C)C)c(/N=C/c4ccccc4N)c3C(C)C)<-[cH]12 0.000

#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(C(C)C)c(/N=C/c4ccccc4N)c(C(C)C)[cH]->23)c1 0.000

#14 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(/C=N/c4c(C(C)C)cccc4C(C)C)[cH]->23)c1 0.000

#15 CC(C)c1cc[cH]2->[Ru+2]3<-[cH]4ccc(/C=N/c1c2C(C)C)c(N)[cH]->34 0.000

#16 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(C(C)C)c(/N=C/c3ccccc3N)c(C(C)C)[cH]->12 0.000

#17 CC(C)c1c[cH]2->[Ru+2]3<-[cH]4cccc(/C=N/c1c(C(C)C)[cH]->32)c4N 0.000

#18 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(/C=N/c4c(C(C)C)cccc4C(C)C)c(N)c3)<-[cH]12 0.000

#19 CC(C)c1cc[cH]2->[Ru+2]3<-[cH]4ccc(N)c(/C=N/c1c2C(C)C)[cH]->34 0.000

#20 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(/C=N/c4c(C(C)C)cccc4C(C)C)c[cH]->23)c1 0.000

#21 CC(C)c1cccc(C(C)C)c1/N=C/c1c(N)ccc[cH]1->[Ru+2] 0.000

#22 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(/C=N/c3c(C(C)C)cccc3C(C)C)c[cH]->12 0.000

#23 CC(C)c1cccc(C(C)C)c1/N=C/c1cc[cH](->[Ru+2])cc1N 0.000

#24 CC(C)c1c[cH]2->[Ru+2]3<-[cH]4cc(N)c(/C=N/c1c(C(C)C)c2)c[cH]->34 0.000

Sequential multi-lig (v2) — 207 candidates

Pred: {"N": 2}