← сравнение complex #410 3D Viewer

Complex #410 — Ru(3)

GT: {"N": 5, "S": 1, "O": 1} · Δ = +0.50
{"N": 5, "S": 1, "O": 1}
Ground Truth
0.000
Single-lig
0.500
Sequential
+0.500
Δ Sequential
Single-ligand (v1) — 144 candidates
Pred: {"S": 1}
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
Sequential multi-lig (v2) — 144 candidates
Pred: {"O": 2, "N": 2, "S": 1}
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#2 C[S](C)(=O)->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#3 CS(C)=[O]->[Ru+3] 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#4 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3c(N4CCNCC4)ncc2c13 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#5 CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)[n](->[Ru+3])c21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#6 CCn1cc(C(=O)O)c(=O)c2cnc(N3CC[NH](->[Ru+3])CC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#7 CCn1cc(C(=O)O)c(=O)c2c[n](->[Ru+3])c(N3CCNCC3)nc21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#8 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[n](c3N3CCNCC3)c21 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#9 CCn1cc(C(=O)O)c2=[O]->[Ru+3]<-[n]3cc2c1nc3N1CCNCC1 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#10 CCn1cc(C(=O)O)c(=[O]->[Ru+3])c2cnc(N3CCNCC3)nc21 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#11 CCn1cc(C(=O)O)c(=O)c2cnc3N4CC[NH](->[Ru+3]<-[n]3c21)CC4 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#12 CCn1cc(C(=O)O)c(=O)c2cnc([N]34->[Ru+3]<-[NH](CC3)CC4)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#13 CCn1cc(C(O)=[O]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#14 CCn1cc(C(=O)O)c(=O)c2c[n]3->[Ru+3]<-[NH]4CCN(c3nc21)CC4 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#15 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3c(N4CCNCC4)ncc(c2=O)c13 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#16 CCn1cc2C(=O)[OH]->[Ru+3]<-[n]3cc(c2=O)c1nc3N1CCNCC1 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000
#17 CCn1cc(C(=O)[OH]->[Ru+3])c(=O)c2cnc(N3CCNCC3)nc21 0.000