← сравнение complex #443 3D Viewer

Complex #443 — Ru(2)

GT: {"N": 4, "P": 1, "O": 2} · Δ = +0.27

{"N": 4, "P": 1, "O": 2}

Ground Truth

0.000

Single-lig

0.273

Sequential

+0.273

Δ Sequential

Single-ligand (v1) — 189 candidates

Pred: {"P": 1}

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

Sequential multi-lig (v2) — 189 candidates

Pred: {"P": 3, "O": 4}

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#2 [Ru+2]<-[P]12CN3CN(CN1C3)C2 0.998

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#3 O=C1[O][Ru][O]C1=O 0.971

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#4 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2] 0.412

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#5 O=C1[O][Ru+]<-[O-]C1=O 0.287

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#6 [Ru+2]<-[N]12CN3CN(C1)P(C3)C2 0.160

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#7 O=C([O-])C(=O)[O][Ru+]<-[P]12CN3CN(CN1C3)C2 0.085

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#8 CNC(=O)CC[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.079

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#9 CNC(=O)CCc1ccc(C)[cH]2->[Ru+2]<-[cH]12 0.072

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#10 O=C([O-])C(=O)[O][Ru+] 0.016

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#11 CNC(CCc1ccc(C)cc1)=[O]->[Ru+][O]C(=O)C(=O)[O-] 0.006

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#12 O=C([O-])C1[O][Ru+]<-[O]=1 0.002

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#13 C1N2C[N]34->[Ru+2]<-[N]1(CP2C3)C4 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#14 Cc1ccc(CCC(=O)[NH](C)->[Ru+2])cc1 0.001

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#15 O=C([O-])C(=O)[O-]->[Ru+2] 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#16 Cc1ccc(CCC(=O)[NH](C)->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#17 O=C1[O][Ru+]<-[O]=C1[O-] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#18 CNC(=O)CCc1ccc(C)c[cH]1->[Ru+2] 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#19 CNC(=O)CCc1ccc(C)[cH](->[Ru+2])c1 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#20 CNC(CCc1ccc(C)cc1)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#21 O=C([O-])C([O-])=[O]->[Ru+2] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000

#22 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000