Compare #654 — BiometalDB

{"N": 1, "P": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: C:6(eta)

#2 CC(NP(c1ccccc1)c1ccccc1)c1ccc(F)[cH]2->[Ru+2]<-[cH]12 0.000

#3 CC(NP(c1ccccc1)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42)c1ccc(F)cc1 0.000

#4 CC(NP(C1=CC=C[CH]2[Ru+2][CH]12)c1ccccc1)c1ccc(F)cc1 0.000

#5 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cc(C(C)NP(c4ccccc4)c4ccccc4)ccc3F)<-[cH]12 0.000

#6 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2c(F)ccc(C(C)NP(c3ccccc3)c3ccccc3)[cH]->12 0.000

#7 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(P(NC(C)c4ccc(F)cc4)c4ccccc4)c3)<-[cH]12 0.000

#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(P(NC(C)c3ccc(F)cc3)c3ccccc3)c[cH]->12 0.000

#9 CC1NP(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]4cc1ccc4F)<-[cH]3c2 0.000

#10 CC(NP(c1ccccc1)c1cc[cH](->[Ru+2])cc1)c1ccc(F)cc1 0.000

#11 CC1NP(c2ccccc2)c2ccc[cH](->[Ru+2]3<-[cH]4c(F)ccc1[cH]->34)c2 0.000

#12 CC1NP(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]4cc(F)ccc41)<-[cH]3c2 0.000

#13 CC1NP(c2ccccc2)c2cc[cH](->[Ru+2]3<-[cH]4c(F)ccc1[cH]->34)cc2 0.000

#14 CC1NP(c2ccccc2)c2cccc[cH]2->[Ru+2]2<-[cH]3c(F)ccc1[cH]->23 0.000

#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cccc(P(NC(C)c3ccc(F)cc3)c3ccccc3)[cH]->12 0.000

#16 CC(NP1C2=CC=C[CH]3[CH]2[Ru+2]32[CH]3C=CC=C1[CH]32)c1ccc(F)cc1 0.000

#17 CC1NP(c2ccccc2)c2ccc[cH]3->[Ru+2](<-[cH]4cc1ccc4F)<-[cH]23 0.000

#18 CC1NP(c2ccccc2)c2ccc[cH]3->[Ru+2](<-[cH]4cc(F)ccc41)<-[cH]23 0.000

#19 CC(NP1c2cc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)cc2)c1ccc(F)cc1 0.000

#20 CC(NP1c2cc[cH]3->[Ru+2](<-[cH]4ccccc41)<-[cH]3c2)c1ccc(F)cc1 0.000

#21 CC(NP1c2ccc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)c2)c1ccc(F)cc1 0.000

#22 CC(NP1c2cc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)cc2)c1ccc(F)cc1 0.000

#23 CC(NP(c1ccccc1)c1ccc[cH](->[Ru+2])c1)c1ccc(F)cc1 0.000

#24 CC(NP1C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC1=C[CH]32)c1ccc(F)cc1 0.000

Sequential multi-lig (v2) — 207 candidates