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Complex #127 — Ru(2) [11]

GT: {"O": 1} → Top-1: {"O": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
59
Candidates
{"O": 1}
Ground Truth
{"O": 2}
Top-1 Prediction
0.980
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.98 ± 0.02
COc1cccc(-c2oc3ccccc3c3=[O]->[Ru+][O]c23)c1
#1 TOP-1 0.69 ± 0.32
COc1cccc(-c2oc3ccccc3c3=[O]->[Ru+]4([O]c23)<-[cH]2c(C)ccc(C(C)C)[cH]->42)c1
#2 0.11 ± 0.13
COc1cccc(-c2oc3ccccc3c(=O)c2[O][Ru+])c1
#2 0.38 ± 0.50
COc1cccc(-c2oc3ccccc3c3=[O]->[Ru+]45678([O]c23)<-[cH]2[cH]->4[c]->5(C(C)C)[cH]->6[cH]->7[c]->82C)c1
#3 0.01 ± 0.01
COc1cccc2-c3oc4ccccc4c(=O)c3[O][Ru+]<-[cH]12
#3 0.21 ± 0.44
COc1cccc(-c2oc3ccccc3c3=[O]->[Ru+]([O]c23)<-[cH]2cc(C)ccc2C(C)C)c1
#4 0.01 ± 0.00
COc1cccc(-c2oc3ccccc3c3=[O]->[Ru+2]<-[O-]c23)c1
#4 0.21 ± 0.44
COc1cccc(-c2oc3ccccc3c3=[O]->[Ru+]([O]c23)<-[cH]2cc(C(C)C)ccc2C)c1
#5 0.00 ± 0.00
COc1cc[cH]2->[Ru+][O]c3c(-c2c1)oc1ccccc1c3=O
#6 0.00 ± 0.00
COc1c[cH]2->[Ru]34[O]c5c(-[c]->3(c1)[cH]->42)oc1ccccc1c5=O
#7 0.00 ± 0.00
COc1cccc(-c2oc3ccc[cH]4->[Ru+][O]c2c(=O)c34)c1
#8 0.00 ± 0.00
COc1cccc(-c2oc3c4ccc[cH]3->[Ru+][O]c2c4=O)c1
#9 0.00 ± 0.00
COc1cc2-c3oc4ccccc4c(=O)c3[O][Ru+]<-[cH]1cc2
#10 0.00 ± 0.00
COc1cc2-c3oc4ccccc4c(=O)c3[O][Ru+]<-[cH](c1)c2
#11 0.00 ± 0.00
COc1cccc(-c2oc3ccccc3c(=O)c2[O-]->[Ru+2])c1
#12 0.00 ± 0.00
COc1cccc(-c2oc3c[cH]4->[Ru+][O]c2c(=O)c3cc4)c1
#13 0.00 ± 0.00
COc1cccc(-c2oc3cc[cH]4->[Ru+][O]c2c(=O)c3c4)c1
#14 0.00 ± 0.00
COc1cccc(-c2oc3ccccc3c(=[O]->[Ru+2])c2[O-])c1
#15 0.00 ± 0.00
COc1cccc(-c2oc3c(c(=O)c2[O-])C=C[CH]2[Ru+2][CH]32)c1
#16 0.00 ± 0.00
COc1cccc(-c2c([O-])c(=O)c3ccccc3[o]2->[Ru+2])c1
#17 0.00 ± 0.00
COc1cccc(-c2oc3c(c(=O)c2[O-])[CH]2[Ru+2][CH]2C=C3)c1
#18 0.00 ± 0.00
COc1cc(-c2oc3ccccc3c(=O)c2[O-])c[cH]2->[Ru+2]<-[cH]12
#19 0.00 ± 0.00
COc1cccc(-c2oc3c(cc[cH]4->[Ru+2]<-[cH]34)c(=O)c2[O-])c1
#20 0.00 ± 0.00
COc1cccc(-c2oc3cc[cH]4->[Ru+2]<-[cH]4c3c(=O)c2[O-])c1
#21 0.00 ± 0.00
COc1cc(-c2oc3ccccc3c(=O)c2[O-])[cH]2->[Ru+2]<-[cH]2c1
#22 0.00 ± 0.00
COc1cc(-c2oc3ccccc3c(=O)c2[O-])[cH]2->[Ru+]3<-[cH]1[cH]->32
#23 0.00 ± 0.00
COc1cccc(-c2oc3c[cH]4->[Ru+2]<-[cH]4cc3c(=O)c2[O-])c1
#24 0.00 ± 0.00
COc1cccc(-c2oc3c(c[cH]4->[Ru+]5<-[cH]3[cH]->54)c(=O)c2[O-])c1
#25 0.00 ± 0.00
COc1cccc(-c2oc3c[cH]4->[Ru+]5<-[cH](c3c(=O)c2[O-])[cH]->54)c1
#26 0.00 ± 0.00
COc1cccc(-c2oc3c(c(=O)c2[O-])[cH]2->[Ru+2]45<-[cH]3[cH]->4[cH]->52)c1
#27 0.00 ± 0.00
COc1cccc(-c2oc3c(c(=O)c2[O-])[CH]2[CH]4[CH]5[CH]3[Ru+2]254)c1
#28 0.00 ± 0.00
COc1cccc2-c3oc4cc[cH]5->[Ru+2](<-[cH]12)<-[cH]5c4c(=O)c3[O-]
#29 0.00 ± 0.00
COc1cccc2-c3oc4c(cc[cH]5->[Ru+2](<-[cH]12)<-[cH]45)c(=O)c3[O-]
#30 0.00 ± 0.00
COc1cc2-c3oc4c(ccc[cH]4->[Ru+2]4<-[cH](c2)[cH]->41)c(=O)c3[O-]
#31 0.00 ± 0.00
COc1cc2-c3oc4c(ccc[cH]4->[Ru+2]4<-[cH](c1)[cH]->42)c(=O)c3[O-]
#32 0.00 ± 0.00
COc1cc[cH]2->[Ru+2]3<-[cH]4ccc5oc(-c2c1)c([O-])c(=O)c5[cH]->34
#33 0.00 ± 0.00
COc1cc2-c3oc4cc[cH]5->[Ru+2](<-[cH](c1)c2)<-[cH]5c4c(=O)c3[O-]
#34 0.00 ± 0.00
COc1cc[cH]2->[Ru+2]3<-[cH]4ccc5c(=O)c([O-])c(-c2c1)oc5[cH]->34
#35 0.00 ± 0.00
COc1cccc2-c3oc4c[cH]5->[Ru+2](<-[cH]12)<-[cH]5cc4c(=O)c3[O-]
#36 0.00 ± 0.00
COc1cc2-c3oc4ccc[cH](->[Ru+2]5<-[cH](c2)[cH]->51)c4c(=O)c3[O-]
#37 0.00 ± 0.00
COc1cc2-c3oc4c(cc[cH]5->[Ru+2](<-[cH](c1)c2)<-[cH]45)c(=O)c3[O-]
#38 0.00 ± 0.00
COc1cc2-c3oc4ccc[cH](->[Ru+2]5<-[cH](c1)[cH]->52)c4c(=O)c3[O-]
#39 0.00 ± 0.00
COc1cc2-c3oc4cc[cH](->[Ru+2]5<-[cH](c2)[cH]->51)cc4c(=O)c3[O-]
#40 0.00 ± 0.00
COc1cc2-c3oc4cc[cH]5->[Ru+2](<-[cH]1cc2)<-[cH]5c4c(=O)c3[O-]
#41 0.00 ± 0.00
COc1cc[cH]2->[Ru+2]3<-[cH]4cc5oc(-c2c1)c([O-])c(=O)c5c[cH]->34
#42 0.00 ± 0.00
COc1cc2-c3oc4cc[cH](->[Ru+2]5<-[cH](c1)[cH]->52)cc4c(=O)c3[O-]
#43 0.00 ± 0.00
COc1cccc(-c2oc3c(ccc[cH]3->[Ru+2])c(=O)c2[O-])c1
#44 0.00 ± 0.00
COc1cc2-c3oc4c[cH]5->[Ru+2](<-[cH](c1)c2)<-[cH]5cc4c(=O)c3[O-]
#45 0.00 ± 0.00
COc1cc2-c3oc4c(cc[cH]5->[Ru+2](<-[cH]1cc2)<-[cH]45)c(=O)c3[O-]
#46 0.00 ± 0.00
COc1cc2-c3oc4c[cH](->[Ru+2]5<-[cH](c2)[cH]->51)ccc4c(=O)c3[O-]
#47 0.00 ± 0.00
COc1cc2-c3oc4c[cH]5->[Ru+2](<-[cH]1cc2)<-[cH]5cc4c(=O)c3[O-]
#48 0.00 ± 0.00
COc1cc[cH](->[Ru+2])c(-c2oc3ccccc3c(=O)c2[O-])c1
#49 0.00 ± 0.00
COc1cc2-c3oc4c[cH](->[Ru+2]5<-[cH](c1)[cH]->52)ccc4c(=O)c3[O-]
#50 0.00 ± 0.00
COc1cc(-c2oc3ccccc3c(=O)c2[O-])c[cH](->[Ru+2])c1
#51 0.00 ± 0.00
COc1cccc(-c2oc3ccccc3c(=O)c2[O-])[cH]1->[Ru+2]
#52 0.00 ± 0.00
COc1cccc(-c2oc3ccc[cH](->[Ru+2])c3c(=O)c2[O-])c1
#53 0.00 ± 0.00
COc1cccc(-c2oc3cc[cH](->[Ru+2])cc3c(=O)c2[O-])c1
#54 0.00 ± 0.00
COc1cccc(-c2oc3c[cH](->[Ru+2])ccc3c(=O)c2[O-])c1
#55 0.00 ± 0.00
COc1cc(-c2oc3ccccc3c(=O)c2[O-])cc[cH]1->[Ru+2]