← сравнение complex #566 3D Viewer

Complex #566 — Ru(2)

GT: {"N": 4, "P": 1, "O": 1} · Δ = +0.00
{"N": 4, "P": 1, "O": 1}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 171 candidates
Pred: {"P": 1}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
Sequential multi-lig (v2) — 171 candidates
Pred: {"P": 3, "O": 2, "S": 2}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.993
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#3 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.977
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.255
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#5 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.034
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.028
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.006
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#9 Cc1c([O][Ru+])c(=S)ccn1C 0.005
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#10 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#11 Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C 0.001
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#12 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#15 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#16 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#20 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000