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Complex #264 — Ru(2) [Complex 1]

GT: {"N": 4, "O": 1, "P": 2} → Top-1: {"O": 3, "S": 3, "N": 4, "P": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"N": 4, "O": 1, "P": 2}
Ground Truth
{"O": 3, "S": 3, "N": 4, "P": 2}
Top-1 Prediction
0.583
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring. For sequential results only top-1 prediction is stored.
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.05 ± 0.00
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#1 TOP-1 0.68 ± 0.40
CN(C)C1N=C([O][Ru+]<-[S]=1)c1ccccc1
#1 TOP-1 0.61 ± 0.32
CN(C)C1N=C([O][Ru+]2(<-[S]=1)<-[n]1ccccc1-c1cccc[n]->21)c1ccccc1
#1 TOP-1 0.74 ± 0.38
CN(C)C1N=C([O][Ru+]23(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)<-[P](CC[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1...
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.00 ± 0.00
c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1
#2 0.05 ± 0.10
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccccc1
#2 0.01 ± 0.01
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1ccnc(-c4cccc[n]->24)[cH]->31)c1ccccc1
#2 0.02 ± 0.03
CN(C)C1N=C([O][Ru+]2(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)<-[P](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccc...
#3 0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1
#3 0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1
#3 0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1
#3 0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1
#3 0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1
#3 0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1