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Complex #287 — Ru(2) [Ru12]

GT: {"O": 1} → Top-1: {"O": 1, "S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
24
Candidates
{"O": 1}
Ground Truth
{"O": 1, "S": 1}
Top-1 Prediction
0.630
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.63 ± 0.40
CCSC1C=C([O][Ru+]<-[S]=1)c1ccccc1OC
#1 TOP-1 0.23 ± 0.40
CCSC1C=C([O][Ru+]23456(<-[S]=1)<-[cH]1[cH]->2[c]->3(C(C)C)[cH]->4[cH]->5[c]->61C)c1ccccc1OC
#2 0.00 ± 0.01
CCSC(=S)/C=C(\[O][Ru+])c1ccccc1OC
#2 0.04 ± 0.04
CCSC1C=C([O][Ru+]2(<-[S]=1)<-[cH]1c(C)ccc(C(C)C)[cH]->21)c1ccccc1OC
#3 0.00 ± 0.00
CCSC(=S)C=C([O][Ru+])c1ccccc1OC
#3 0.00 ± 0.00
CCSC1C=C([O][Ru+](<-[S]=1)<-[cH]1cc(C)ccc1C(C)C)c1ccccc1OC
#4 0.00 ± 0.00
CCSC(C=C([O-])c1ccccc1OC)=[S]->[Ru+2]
#4 0.00 ± 0.00
CCSC1C=C([O][Ru+](<-[S]=1)<-[cH]1cc(C(C)C)ccc1C)c1ccccc1OC
#5 0.00 ± 0.00
CCSC(=S)C=C([O-]->[Ru+2])c1ccccc1OC
#6 0.00 ± 0.00
CCSC(=S)C=C([O-])C1=C(OC)C=C[CH]2[Ru+2][CH]12
#7 0.00 ± 0.00
CC[S](->[Ru+2])C(=S)C=C([O-])c1ccccc1OC
#8 0.00 ± 0.00
CCSC(=S)C=C([O-])C1=C(OC)[CH]2[Ru+2][CH]2C=C1
#9 0.00 ± 0.00
CCSC(=S)C=C([O-])c1cc[cH]2->[Ru+2]<-[cH]2c1OC
#10 0.00 ± 0.00
CCSC(=S)C=C([O-])c1c(OC)cc[cH]2->[Ru+2]<-[cH]12
#11 0.00 ± 0.00
CCSC(=S)C=C([O-])c1c[cH]2->[Ru+2]<-[cH]2cc1OC
#12 0.00 ± 0.00
CCSC(=S)C=C([O-])c1c(OC)c[cH]2->[Ru+]3<-[cH]1[cH]->32
#13 0.00 ± 0.00
CCSC(=S)[CH](->[Ru+2])=C([O-])c1ccccc1OC
#14 0.00 ± 0.00
CCSC(=S)C=C([O-])c1c[cH]2->[Ru+]3<-[cH](c1OC)[cH]->32
#15 0.00 ± 0.00
CCSC(=S)C=C([O-])c1c(OC)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#16 0.00 ± 0.00
CCSC(=S)C=C([O-])C1=C(OC)[CH]2[CH]3[CH]4[CH]1[Ru+2]234
#17 0.00 ± 0.00
CCSC(=S)C=C([O-])c1c(OC)ccc[cH]1->[Ru+2]
#18 0.00 ± 0.00
CCSC(=S)C=C([O-])c1ccc[cH](->[Ru+2])c1OC
#19 0.00 ± 0.00
CCSC(=S)C=C([O-])c1cc[cH](->[Ru+2])cc1OC
#20 0.00 ± 0.00
CCSC(=S)C=C([O-])c1c[cH](->[Ru+2])ccc1OC