← сравнение complex #846 3D Viewer

Complex #846 — Ru(2)

GT: {"N": 2} · Δ = -0.33
{"N": 2}
Ground Truth
0.333
Single-lig
0.000
Sequential
-0.333
Δ Sequential
Single-ligand (v1) — 207 candidates
Pred: {"N": 2}
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 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)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
Sequential multi-lig (v2) — 207 candidates
Pred: {"N": 2}
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.995
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#3 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#4 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.079
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#5 [Ru+2]<-[NH2]Cc1ccccn1 0.006
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#6 NCc1cccc[n]1->[Ru+2] 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#7 NC[c]12->[Ru+2]<-[n]1cccc2 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)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1ccccc1CN 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#11 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#12 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#13 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#14 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#15 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(CN)c[cH]->23)c1 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(CN)nc3)<-[cH]12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(CN)c[cH]->12 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#18 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccnc(CN)[cH]->23)c1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#19 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc(CN)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#21 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(CN)[cH]->12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3CN)<-[cH]12 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2])ccn1 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000
#24 NCc1nccc[cH]1->[Ru+2] 0.000