← сравнение complex #742 3D Viewer

Complex #742 — Ru(2)

GT: {"N": 6, "O": 1} · Δ = +0.25
{"N": 6, "O": 1}
Ground Truth
0.333
Single-lig
0.583
Sequential
+0.250
Δ Sequential
Single-ligand (v1) — 162 candidates
Pred: {"S": 1, "O": 1}
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
Sequential multi-lig (v2) — 162 candidates
Pred: {"O": 3, "N": 9}
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#2 CCOc1ccc(C2=CC(SC)=[S]->[Os+][O]2)cc1 0.794
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#3 CC(C)[c]12->[Os+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.258
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#4 Cc1ccc(C(C)C)[cH]2->[Os+2]<-[cH]12 0.093
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#5 CCOc1ccc(/C(=C/C(=S)SC)[O][Os+])cc1 0.001
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#6 CCOc1ccc(C(=CC(=S)SC)[O][Os+])cc1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Os+2])c1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#8 CCOc1ccc(C([O-])=CC(SC)=[S]->[Os+2])cc1 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Os+2] 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#10 CCOc1ccc(C(=CC(=S)SC)[O-]->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#11 CCOc1ccc(C([O-])=CC(=S)[S](C)->[Os+2])cc1 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#12 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2]<-[cH]12 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#13 CCOc1ccc(C([O-])=[CH](->[Os+2])C(=S)SC)cc1 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#14 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#15 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#16 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#17 CCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Os+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#18 CCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Os+2] 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000
#19 CCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Os+2])c1 0.000