← сравнение complex #847 3D Viewer

Complex #847 — 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) — 216 candidates
Pred: {"N": 2}
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)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
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
Sequential multi-lig (v2) — 216 candidates
Pred: {"N": 4}
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#2 c1cc[n]2->[Ru+2]<-[NH2]Cc2c1 0.993
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#3 [cH]12->[Ru+2]3456<-[cH]1[cH]->3[cH]->4[cH]->5[cH]->62 0.190
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#4 c1cc[cH]2->[Ru+2]<-[cH]2c1 0.098
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#5 c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.044
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#6 C1=C[CH]2[Ru+2][CH]2C=C1 0.023
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#7 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.014
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#8 [Ru+2]<-[NH2]Cc1ccccn1 0.008
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#9 C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.006
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#10 NCc1cccc[n]1->[Ru+2] 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#11 NC[c]12->[Ru+2]<-[n]1cccc2 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#12 [Ru+2]<-[cH]1ccccc1 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#13 NCc1cccc[n]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#14 NCc1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#15 NCc1c[cH]2->[Ru+2]<-[cH]2cn1 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#16 NCc1ncc[cH]2->[Ru+2]<-[cH]12 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#17 NCC1=C[CH]2[Ru+2][CH]2C=N1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#18 NCc1c[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]2cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#19 NCc1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#20 NCc1cc[cH](->[Ru+2])cn1 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#21 NCc1ncc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#22 NCc1c[cH](->[Ru+2])ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)ccn1 0.000
#23 NCc1c[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)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
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000
#25 NCc1nccc[cH]1->[Ru+2]1<-[cH]2cccc[cH]->12 0.000