← сравнение complex #4854 3D Viewer

Complex #4854 — Ir(3)

GT: {"N": 6} · Δ = +0.00
{"N": 6}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 144 candidates
Pred: C:6(eta)
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
Sequential multi-lig (v2) — 144 candidates
Pred: {"N": 6}
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.458
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#3 CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C 0.420
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#4 CC(=O)[S][Ru+] 0.321
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#5 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.254
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#6 CC(=O)[SH-]->[Ru+2] 0.230
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#7 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.173
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.165
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#9 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.113
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#10 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.109
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.073
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.030
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#13 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#14 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#15 CC([S-])=[O]->[Ru+2] 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#16 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#17 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000