← сравнение complex #701 3D Viewer

Complex #701 — Ru(3)

GT: {"N": 5, "O": 3} · Δ = +0.30
{"N": 5, "O": 3}
Ground Truth
0.100
Single-lig
0.400
Sequential
+0.300
Δ Sequential
Single-ligand (v1) — 207 candidates
Pred: {"O": 1}
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
Sequential multi-lig (v2) — 207 candidates
Pred: {"N": 9, "O": 11}
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#2 [OH][Ru+2] 0.949
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#3 O=N[O][Ru+2] 0.628
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#4 N1[O][Ru+2]<-[O]=1 0.458
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#5 [O-][Ru+2] 0.387
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#6 [N]=[O]->[Ru+3] 0.114
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#7 O=N[O][Ru+][O]N=O 0.102
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#8 COC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OC)c2)c1 0.010
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#9 COC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#10 COC(=O)c1ccc[n](->[Ru+3])c1 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#11 O=[N]([O-])->[Ru+3] 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#12 COC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OC)c2)c1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#13 COC(=[O]->[Ru+3])c1cccnc1 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#14 [O-]N=[O]->[Ru+3] 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#15 COC(=[O]->[Ru+3]<-[O]=C(OC)c1cccnc1)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#16 C[O](->[Ru+3])C(=O)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#17 COC(=[O]->[Ru+3]<-[O](C)C(=O)c1cccnc1)c1cccnc1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#18 COC(=O)c1cnc[cH](->[Ru+3])c1 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#19 COC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#20 COC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#21 COC(=O)c1cncc[cH]1->[Ru+3] 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#22 COC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OC)[cH]->12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#23 COC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000
#24 COC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OC)[cH]->23)c1 0.000