← сравнение complex #447 3D Viewer

Complex #447 — Ru(2)

GT: {"O": 1, "N": 1} · Δ = -1.00
{"O": 1, "N": 1}
Ground Truth
1.000
Single-lig
0.000
Sequential
-1.000
Δ Sequential
Single-ligand (v1) — 180 candidates
Pred: {"O": 1, "S": 1}
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#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
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
Sequential multi-lig (v2) — 180 candidates
Pred: {"O": 1, "S": 1}
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#2 c1ccn2[O][Ru+]<-[S]=c2c1 0.988
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362
#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
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#5 S=c1ccccn1[O][Ru+] 0.005
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#6 [O-]n1ccccc1=[S]->[Ru+2] 0.002
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#7 [O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#8 [O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#10 [O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#19 [O-]n1ccc[cH](->[Ru+2])c1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#20 [O-]n1cc[cH](->[Ru+2])cc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000
#21 [O-]n1c[cH](->[Ru+2])ccc1=S 0.000