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Complex #96 — Ru(2) [Ru2]

GT: {"S": 1, "N": 3, "P": 3} → Top-1: {"S": 3, "N": 3, "P": 3}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"S": 1, "N": 3, "P": 3}
Ground Truth
{"S": 3, "N": 3, "P": 3}
Top-1 Prediction
0.778
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
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.05 ± 0.00
[Ru+2]<-[n]1ccccc1P(c1ccccc1)c1ccccc1
#1 TOP-1 0.88 ± 0.03
c1cnc2[S][Ru+]<-[n]2c1
#1 TOP-1 0.85 ± 0.09
c1ccc([P]2(CCCC[P](c3ccccc3)(c3ccccc3)->[Ru+]<-23[S]c2nccc[n]->32)c2ccccc2)cc1
#1 TOP-1 0.91 ± 0.18
c1ccc([P]2(CCCC[P](c3ccccc3)(c3ccccc3)->[Ru+]<-23([S]c2nccc[n]->32)<-[P](c2ccccc2)(c2ccccc2)c2ccccn2...
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.02 ± 0.00
c1ccc(P(CCCC[P](->[Ru+2]<-[n]2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#2 0.27 ± 0.17
[Ru+][S]c1ncccn1
#2 0.01 ± 0.01
c1ccc(P(CCCC[P](c2ccccc2)(c2ccccc2)->[Ru+]2[S]c3nccc[n]->23)c2ccccc2)cc1
#2 0.69 ± 0.45
c1ccc([P]2(CCCC[P](c3ccccc3)(c3ccccc3)->[Ru+]<-234([S]c2nccc[n]->32)<-[n]2ccccc2[P]->4(c2ccccc2)c2cc...
#3 0.00 ± 0.00
c1cnc2[SH-]->[Ru+2]<-[n]2c1
#3 0.00 ± 0.00
c1cnc2[SH-]->[Ru+2]<-[n]2c1
#3 0.00 ± 0.00
c1cnc2[SH-]->[Ru+2]<-[n]2c1
#3 0.00 ± 0.00
c1cnc2[SH-]->[Ru+2]<-[n]2c1
#3 0.00 ± 0.00
c1cnc2[SH-]->[Ru+2]<-[n]2c1
#3 0.00 ± 0.00
c1cnc2[SH-]->[Ru+2]<-[n]2c1