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Complex #1551 — Ru(2) [4,2]

GT: {"N": 2} → Top-1: {"O": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
51
Candidates
{"N": 2}
Ground Truth
{"O": 1, "N": 1}
Top-1 Prediction
0.970
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.97 ± 0.04
CCOC1(c2ccccc2)Oc2ccccc2C2=[O]->[Ru+2]<-[NH]=C21
#2 0.10 ± 0.15
CCOC1(c2ccccc2)Oc2ccccc2C(=O)C1=[NH]->[Ru+2]
#3 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2ccccc2[C]2([O][Ru+2]2)C1=N
#4 0.00 ± 0.00
CCOC1([c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->52)[cH]->6[cH]->73)Oc2ccccc2C(=O)C1=N
#5 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2ccccc2C(=[O]->[Ru+2])C1=N
#6 0.00 ± 0.00
CCOC1(c2ccccc2)OC2=C(C=C[CH]3[Ru+2][CH]23)C(=O)C1=N
#7 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2c(cc[cH]3->[Ru+2]<-[cH]23)C(=O)C1=N
#8 0.00 ± 0.00
CCOC1(c2cc[cH]3->[Ru+2]<-[cH]3c2)Oc2ccccc2C(=O)C1=N
#9 0.00 ± 0.00
CCOC1(c2ccccc2)OC2=C(C(=O)C1=N)[CH]1[Ru+2][CH]1C=C2
#10 0.00 ± 0.00
CC[O](->[Ru+2])C1(c2ccccc2)Oc2ccccc2C(=O)C1=N
#11 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2c[cH]3->[Ru+2]<-[cH]3cc2C(=O)C1=N
#12 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2cc[cH]3->[Ru+2]<-[cH]3c2C(=O)C1=N
#13 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2c[cH]3->[Ru+]4<-[cH](c2C(=O)C1=N)[cH]->43
#14 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2c(c[cH]3->[Ru+]4<-[cH]2[cH]->43)C(=O)C1=N
#15 0.00 ± 0.00
CCOC1(C2=C[CH]3[Ru+2][CH]3C=C2)Oc2ccccc2C(=O)C1=N
#16 0.00 ± 0.00
CCOC1(c2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)Oc2ccccc2C(=O)C1=N
#17 0.00 ± 0.00
CCOC1(c2ccc[cH]3->[Ru+2]<-[cH]23)Oc2ccccc2C(=O)C1=N
#18 0.00 ± 0.00
CCOC1(c2c[cH]3->[Ru+]4<-[cH](c2)[cH]->43)Oc2ccccc2C(=O)C1=N
#19 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2c([cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)C(=O)C1=N
#20 0.00 ± 0.00
CCOC1(C2=CC=C[CH]3[Ru+2][CH]23)Oc2ccccc2C(=O)C1=N
#21 0.00 ± 0.00
CCOC1(c2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)Oc2ccccc2C(=O)C1=N
#22 0.00 ± 0.00
CCOC1(c2ccccc2)OC2=C(C(=O)C1=N)[CH]1[CH]3[CH]4[CH]2[Ru+2]143
#23 0.00 ± 0.00
CCOC12c3cc[cH]4->[Ru+2](<-[cH]5cccc(c5O1)C(=O)C2=N)<-[cH]4c3
#24 0.00 ± 0.00
CCOC12c3ccc[cH](->[Ru+2]4<-[cH]5ccc(c([cH]->45)O1)C(=O)C2=N)c3
#25 0.00 ± 0.00
CCOC12c3ccc[cH]4->[Ru+2](<-[cH]5cccc(c5O1)C(=O)C2=N)<-[cH]34
#26 0.00 ± 0.00
CCOC12OC3=C(C=C[CH]4[CH]3[Ru+2]43[CH]4C=CC1=C[CH]43)C(=O)C2=N
#27 0.00 ± 0.00
CCOC12c3ccc[cH](->[Ru+2]4<-[cH]5ccc(c([cH]->45)C(=O)C1=N)O2)c3
#28 0.00 ± 0.00
CCOC12c3cc[cH]4->[Ru+2](<-[cH]5cccc(c5C(=O)C1=N)O2)<-[cH]4c3
#29 0.00 ± 0.00
CCOC12c3cccc[cH]3->[Ru+2]3<-[cH]4ccc(c([cH]->34)O1)C(=O)C2=N
#30 0.00 ± 0.00
CCOC12c3ccc[cH]4->[Ru+2](<-[cH]5cccc(c5C(=O)C1=N)O2)<-[cH]34
#31 0.00 ± 0.00
CCOC12c3ccc[cH](->[Ru+2]4<-[cH]5cc(c(c[cH]->45)C(=O)C1=N)O2)c3
#32 0.00 ± 0.00
CCOC12c3cc[cH](->[Ru+2]4<-[cH]5ccc(c([cH]->45)O1)C(=O)C2=N)cc3
#33 0.00 ± 0.00
CCOC12OC3=C(C(=O)C1=N)[CH]1[CH](C=C3)[Ru+2]13[CH]1C=CC2=C[CH]13
#34 0.00 ± 0.00
CCOC12OC3=C(C=C[CH]4[CH]3[Ru+2]43[CH]4C=CC=C1[CH]43)C(=O)C2=N
#35 0.00 ± 0.00
CCOC1(C2=C[CH]3[CH]4[CH]5[CH]2[Ru+2]345)Oc2ccccc2C(=O)C1=N
#36 0.00 ± 0.00
CCOC12c3cc[cH]4->[Ru+2](<-[cH]5ccc(c(c5)C(=O)C1=N)O2)<-[cH]4c3
#37 0.00 ± 0.00
CCOC12c3cccc[cH]3->[Ru+2]3<-[cH]4ccc(c([cH]->34)C(=O)C1=N)O2
#38 0.00 ± 0.00
CCOC12c3ccc[cH]4->[Ru+2](<-[cH]5ccc(c(c5)C(=O)C1=N)O2)<-[cH]34
#39 0.00 ± 0.00
CCOC12c3cc[cH](->[Ru+2]4<-[cH]5ccc(c([cH]->45)C(=O)C1=N)O2)cc3
#40 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2c(ccc[cH]2->[Ru+2])C(=O)C1=N
#41 0.00 ± 0.00
CCOC12c3cccc[cH]3->[Ru+2]3<-[cH]4cc(c(c[cH]->34)C(=O)C1=N)O2
#42 0.00 ± 0.00
CCOC12OC3=C(C(=O)C1=N)[CH]1[CH](C=C3)[Ru+2]13[CH]1C=CC=C2[CH]13
#43 0.00 ± 0.00
CCOC12c3cc[cH](->[Ru+2]4<-[cH]5cc(c(c[cH]->45)C(=O)C1=N)O2)cc3
#44 0.00 ± 0.00
CCOC1(c2ccc[cH](->[Ru+2])c2)Oc2ccccc2C(=O)C1=N
#45 0.00 ± 0.00
CCOC12c3cc[cH]4->[Ru+2](<-[cH]5ccc(c(c5)O1)C(=O)C2=N)<-[cH]4c3
#46 0.00 ± 0.00
CCOC12c3ccc[cH]4->[Ru+2](<-[cH]5ccc(c(c5)O1)C(=O)C2=N)<-[cH]34
#47 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2ccc[cH](->[Ru+2])c2C(=O)C1=N
#48 0.00 ± 0.00
CCOC1(c2cccc[cH]2->[Ru+2])Oc2ccccc2C(=O)C1=N
#49 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2cc[cH](->[Ru+2])cc2C(=O)C1=N
#50 0.00 ± 0.00
CCOC1(c2cc[cH](->[Ru+2])cc2)Oc2ccccc2C(=O)C1=N
#51 0.00 ± 0.00
CCOC1(c2ccccc2)Oc2c[cH](->[Ru+2])ccc2C(=O)C1=N