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Complex #292 — Ru(2) [Ru17]

GT: {"O": 1} → Top-1: {"S": 1, "O": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
14
Candidates
{"O": 1}
Ground Truth
{"S": 1, "O": 1}
Top-1 Prediction
0.710
Match Score
#1 TOP-1 0.71 ± 0.38
CCCCOc1ccc(C2=CC(SC)=[S]->[Ru+][O]2)cc1
#1 TOP-1 0.30 ± 0.40
CCCCOc1ccc(C2=CC(SC)=[S]->[Ru+]34567([O]2)<-[cH]2[cH]->3[c]->4(C(C)C)[cH]->5[cH]->6[c]->72C)cc1
#2 0.00 ± 0.00
CCCCOc1ccc(/C(=C/C(=S)SC)[O][Ru+])cc1
#2 0.10 ± 0.16
CCCCOc1ccc(C2=CC(SC)=[S]->[Ru+]3([O]2)<-[cH]2c(C)ccc(C(C)C)[cH]->32)cc1
#3 0.00 ± 0.00
CCCCOc1ccc(C(=CC(=S)SC)[O][Ru+])cc1
#3 0.01 ± 0.02
CCCCOc1ccc(C2=CC(SC)=[S]->[Ru+]([O]2)<-[cH]2cc(C)ccc2C(C)C)cc1
#4 0.00 ± 0.00
CCCCOc1ccc(C([O-])=CC(SC)=[S]->[Ru+2])cc1
#4 0.01 ± 0.02
CCCCOc1ccc(C2=CC(SC)=[S]->[Ru+]([O]2)<-[cH]2cc(C(C)C)ccc2C)cc1
#5 0.00 ± 0.00
CCCCOc1ccc(C(=CC(=S)SC)[O-]->[Ru+2])cc1
#6 0.00 ± 0.00
CCCCOc1ccc(C([O-])=CC(=S)[S](C)->[Ru+2])cc1
#7 0.00 ± 0.00
CCCCOc1ccc(C([O-])=CC(=S)SC)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CCCCOc1ccc(C([O-])=[CH](->[Ru+2])C(=S)SC)cc1
#9 0.00 ± 0.00
CCCCOc1ccc(C([O-])=CC(=S)SC)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
CCCCOc1ccc(C([O-])=CC(=S)SC)[cH](->[Ru+2])c1