← сравнение complex #859 3D Viewer

Complex #859 — Ru(2)

GT: {"P": 1, "N": 1} · Δ = +0.00
{"P": 1, "N": 1}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 171 candidates
Pred: {"N": 1}
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 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]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
Sequential multi-lig (v2) — 171 candidates
Pred: {"P": 3, "N": 1}
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#2 Cc1ccc[n](->[Ru+2])c1 0.999
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#3 COc1c(C)cc([P](->[Ru+2])(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 0.833
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.414
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#5 COc1c(C)cc([P](->[Ru+2]<-[n]2cccc(C)c2)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc... 0.096
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.061
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#7 Cc1ccc[n](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.002
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#8 Cc1cnc[cH]2->[Ru+2]<-[cH]12 0.001
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#9 CC1=CN=C[CH]2[Ru+2][CH]12 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#10 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 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]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cncc(C)[cH]->23)c1 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#13 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C... 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cncc(C)[cH]->12 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#15 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2])cc1C 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#16 Cc1cncc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 Cc1cnc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#18 Cc1cnc[cH](->[Ru+2])c1 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#19 COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)[cH]2->[Ru+2]2<-[cH]3cncc(C)[cH]... 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000
#20 Cc1cncc[cH]1->[Ru+2] 0.000