← сравнение complex #615 3D Viewer

Complex #615 — Ru(2)

GT: {"N": 4} · Δ = +0.00
{"N": 4}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 72 candidates
Pred: {"N": 2}
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
Sequential multi-lig (v2) — 72 candidates
Pred: {"N": 4}
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#2 Cc1cc(C)[n]2->[Ru+2]<-[n]3c(C)cc(C)n3Cn12 0.995
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.401
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.077
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#5 Cc1cc(C)n(Cn2c(C)cc(C)[n]2->[Ru+2])n1 0.002
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#8 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000
#9 Cc1cc(C)n(Cn2nc(C)[cH](->[Ru+2])c2C)n1 0.000