← сравнение complex #29 3D Viewer

Complex #29 — Ru(2)

GT: {"N": 2, "P": 1} · Δ = +0.00
{"N": 2, "P": 1}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 80 candidates
Pred: {"P": 1}
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[P]12CN3CN(C[N... 0.370
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.010
#3 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[P]12CN3CN(C[N+](C)(C3)C1)C2 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.010
#4 Cc1ccc(C(C)C)[cH](->[Ru+2]<-[P]23CN4CN(C[N+](C)(C4)C2)C3)c1 0.000
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#5 Cc1ccc(C(C)C)c[cH]1->[Ru+2]<-[P]12CN3CN(C[N+](C)(C3)C1)C2 0.000
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
Sequential multi-lig (v2) — 80 candidates
Pred: {"P": 2}
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 C[N+]12CN3CN(C1)C[P](->[Ru+2])(C3)C2 1.000
#2 CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[P]12CN3CN(C[N... 0.370
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.461
#3 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.010
#3 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[P]12CN3CN(C[N+](C)(C3)C1)C2 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.070
#4 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.010
#4 Cc1ccc(C(C)C)[cH](->[Ru+2]<-[P]23CN4CN(C[N+](C)(C4)C2)C3)c1 0.000
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CN3C[N]4(->[Ru+2]<-[P](C3)(C4)C1)C2 0.019
#5 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#5 Cc1ccc(C(C)C)c[cH]1->[Ru+2]<-[P]12CN3CN(C[N+](C)(C3)C1)C2 0.000
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#6 C[N+]12CN3CP(C[N](->[Ru+2])(C3)C1)C2 0.007
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#7 C[N+]12CP3C[N]4(->[Ru+2]<-[N](C3)(C4)C1)C2 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000