← сравнение complex #820 3D Viewer

Complex #820 — Ru(2)

GT: {"N": 3, "P": 1, "O": 4} · Δ = +0.00
{"N": 3, "P": 1, "O": 4}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 207 candidates
Pred: {"P": 1}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
Sequential multi-lig (v2) — 207 candidates
Pred: {"P": 3, "O": 2}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.997
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#3 O=C1[O][Ru][O]C1=O 0.978
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#4 O=C1[O][Ru+]<-[O-]C1=O 0.275
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#5 Cc1ccc(CCC(O)=[O]->[Ru+2])cc1 0.166
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#6 C[c]12->[Ru+2]3456<-[cH]1[cH]->3[c]->4(CCC(=O)O)[cH]->5[cH]->62 0.086
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#7 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.035
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#8 Cc1ccc(CCC(=O)O)[cH]2->[Ru+2]<-[cH]12 0.028
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#9 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#10 O=C([O-])C(=O)[O][Ru+] 0.015
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#11 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.007
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#12 Cc1ccc(CCC(=O)[OH]->[Ru+2])cc1 0.003
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#13 Cc1ccc(CCC(O)=[O]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#14 O=C([O-])C1[O][Ru+]<-[O]=1 0.002
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#15 Cc1ccc(CCC(=O)[OH]->[Ru+][O]C(=O)C(=O)[O-])cc1 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#16 O=C([O-])C(=O)[O-]->[Ru+2] 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#17 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#18 O=C1[O][Ru+]<-[O]=C1[O-] 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#19 Cc1ccc(CCC(=O)O)[cH](->[Ru+2])c1 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#20 Cc1ccc(CCC(=O)O)c[cH]1->[Ru+2] 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#21 Cc1ccc(CCC(O)=[O]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#22 O=C([O-])C([O-])=[O]->[Ru+2] 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#23 Cc1ccc(CCC(=O)[OH]->[Ru+2]<-[O]=C([O-])C(=O)[O-])cc1 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000
#24 [O-]C1=[O]->[Ru+2]<-[O]=C1[O-] 0.000