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Complex #239 — Ru(2) [[(η6-p-cym)Ru(HmtpO)Cl2] (3)]

GT: {"N": 4} → Top-1: {"N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
12
Candidates
{"N": 4}
Ground Truth
{"N": 1}
Top-1 Prediction
0.890
Match Score
#1 TOP-1 0.89 ± 0.04
Cc1cc(=O)n2[nH]c[n](->[Ru+2])c2n1
#1 TOP-1 0.01 ± 0.00
Cc1cc(=O)n2[nH]c[n](->[Ru+2]34567<-[cH]8[cH]->3[c]->4(C(C)C)[cH]->5[cH]->6[c]->78C)c2n1
#2 0.18 ± 0.13
Cc1cc2=[O]->[Ru+2]<-[n]3c[nH]n2c3n1
#2 0.00 ± 0.00
Cc1cc(=O)n2[nH]c[n](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2n1
#3 0.05 ± 0.05
Cc1cc(=O)n2[nH]c[n]3->[Ru+2]<-[n]1c23
#3 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]<-[n]2c[nH]n3c(=O)cc(C)nc32)c1
#4 0.02 ± 0.01
Cc1cc2=[O]->[Ru+2]<-[n]1c1nc[nH]n21
#4 0.00 ± 0.00
Cc1cc(=O)n2[nH]c[n](->[Ru+2]<-[cH]3cc(C(C)C)ccc3C)c2n1
#5 0.01 ± 0.01
Cc1cc(=O)n2[nH]cnc2[n]1->[Ru+2]
#6 0.00 ± 0.00
Cc1cc(=[O]->[Ru+2])n2[nH]cnc2n1
#7 0.00 ± 0.00
C[c]12->[Ru+2]<-[n]1c1nc[nH]n1c(=O)c2
#8 0.00 ± 0.00
Cc1nc2nc[nH]n2c(=O)[cH]1->[Ru+2]