Compare #5146 — BiometalDB

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

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 225 candidates

Pred: C:6(eta)

#2 [O-]c1ccccc1-n1cc[n+](CCc2ccc(F)cc2)[c-]1->[Ir+3] 0.000

#3 Fc1ccc(CCn2[c-][n+](-c3ccccc3[O][Ir+2])cc2)cc1 0.000

#4 Fc1ccc(CCn2[c-][n+](-c3cc[cH]4->[Ir+2][O]c3c4)cc2)cc1 0.000

#5 Fc1ccc(CCn2[c-][n+](-c3c4[O][Ir+2]<-[cH]3ccc4)cc2)cc1 0.000

#6 Fc1ccc2CCn3[c-][n+](-c4ccccc4[O][Ir+2]<-[cH]1c2)cc3 0.000

#7 [O-]c1c[cH]2->[Ir+2]3<-[cH](c1-[n+]1[c-]n(CCc4ccc(F)cc4)cc1)[cH]->32 0.000

#8 Fc1ccc(CCn2[c-][n+](-c3c[cH]4->[Ir+2][O]c3cc4)cc2)cc1 0.000

#9 Fc1ccc(CCn2[c-][n+](-c3ccccc3[O-]->[Ir+3])cc2)cc1 0.000

#10 [O-]c1c[cH]2->[Ir+3]<-[cH]2cc1-[n+]1[c-]n(CCc2ccc(F)cc2)cc1 0.000

#11 [O-]c1c(-[n+]2[c-]n(CCc3ccc(F)cc3)cc2)cc[cH]2->[Ir+3]<-[cH]12 0.000

#12 [O-]c1cc[cH]2->[Ir+3]3<-[cH]4cc(F)ccc4CCn4[c-][n+](-c1[cH]->32)cc4 0.000

#13 [O-]C1=C([n+]2[c-]n(CCc3ccc(F)cc3)cc2)C=C[CH]2[Ir+3][CH]12 0.000

#14 [O-]c1c2-[n+]3[c-]n(CCc4ccc(F)c[cH]4->[Ir+3]4<-[cH](cc2)[cH]->41)cc3 0.000

#15 [O-]c1cc[cH]2->[Ir+3]<-[cH]2c1-[n+]1[c-]n(CCc2ccc(F)cc2)cc1 0.000

#16 [O-]c1ccc[cH](->[Ir+3])c1-[n+]1[c-]n(CCc2ccc(F)cc2)cc1 0.000

#17 [O-]c1ccc[cH]2->[Ir+3]3<-[cH]4c(F)ccc(CCn5[c-][n+](-c12)cc5)[cH]->34 0.000

#18 [O-]c1ccccc1-[n+]1[c-]n(CCc2ccc(F)[cH](->[Ir+3])c2)cc1 0.000

#19 [O-]c1c[cH]2->[Ir+3]3<-[cH]4cc(F)ccc4CCn4[c-][n+](-c1c[cH]->32)cc4 0.000

#20 [O-]c1c2-[n+]3[c-]n(CCc4ccc(F)[cH](->[Ir+3]5<-[cH](cc2)[cH]->51)c4)cc3 0.000

#21 [O-]c1c2-[n+]3[c-]n(CCc4ccc(F)[cH]5->[Ir+3](<-[cH]1ccc2)<-[cH]45)cc3 0.000

#22 [O-]c1c(-[n+]2[c-]n(CCc3ccc(F)cc3)cc2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000

#23 [O-]c1c[cH]2->[Ir+3]3<-[cH]4c(F)ccc(CCn5[c-][n+](-c1cc2)cc5)[cH]->34 0.000

#24 [O-]c1c[cH]2->[Ir+3]3<-[cH]4cc(CCn5[c-][n+](-c1c[cH]->32)cc5)ccc4F 0.000

#25 [O-]c1cc[cH]2->[Ir+3]3<-[cH]4c(F)ccc(CCn5[c-][n+](-c1c2)cc5)[cH]->34 0.000

#26 [O-]C1=C([n+]2[c-]n(CCc3ccc(F)cc3)cc2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000

Sequential multi-lig (v2) — 225 candidates

Pred: {"O": 1}