← сравнение complex #270 3D Viewer

Complex #270 — Ru(2)

GT: {"N": 2} · Δ = +0.00
{"N": 2}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 80 candidates
Pred: {"N": 2}
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.990
#2 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[N](=CC=[N]->... 0.490
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.010
#3 Cc1ccc(C(C)C)[cH]2->[Ru+2]3(<-[cH]12)<-[N](=CC=[N]->3C1CCCCC1)C1CCCCC1 0.200
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[N](=CC=[N]->2C2CCCCC2)C2CCCCC2)c1 0.010
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#5 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[N](=CC=[N]->1C1CCCCC1)C1CCCCC1 0.010
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
Sequential multi-lig (v2) — 80 candidates
Pred: {"N": 4}
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.994
#2 C1C=[N](->[Ru+2]<-[N]=1C1CCCCC1)C1CCCCC1 0.990
#2 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[N](=CC=[N]->... 0.490
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.276
#3 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.010
#3 Cc1ccc(C(C)C)[cH]2->[Ru+2]3(<-[cH]12)<-[N](=CC=[N]->3C1CCCCC1)C1CCCCC1 0.200
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.030
#4 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#4 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[N](=CC=[N]->2C2CCCCC2)C2CCCCC2)c1 0.010
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 C1CCC([N]2[CH]3[CH]4[N](C5CCCCC5)[Ru+2]342)CC1 0.012
#5 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#5 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[N](=CC=[N]->1C1CCCCC1)C1CCCCC1 0.010
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#6 C(=NC1CCCCC1)[CH]1[Ru+2][N]1C1CCCCC1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#8 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000
#9 [Ru+2]<-[N](=CC=NC1CCCCC1)C1CCCCC1 0.000