home← all results complex #41

Complex #41 — Ru(2) [2b]

GT: {"O": 1, "N": 5} → Top-1: {"N": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
75
Candidates
{"O": 1, "N": 5}
Ground Truth
{"N": 2}
Top-1 Prediction
0.820
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.82 ± 0.11
O=[N+]([O-])c1ccccc1-c1nc2c3ccc[n]4->[Ru+2]<-[n]5cccc(c2[nH]1)c5c34
#2 0.19 ± 0.13
O=[N+]([O-])c1ccccc1-c1[nH]c2c3ccc[n]4->[Ru+2]5<-[n]6cccc(c6c34)c2[n]->51
#3 0.03 ± 0.03
O=[N+]([O-])c1ccccc1-c1[nH]c2c3ccc[n]4->[Ru+2]<-[n]1c2c1cccnc1c34
#4 0.03 ± 0.03
O=[N+]([O-])c1ccccc1-c1[nH]c2c3cccnc3c3c4ccc[n]3->[Ru+2]<-[n]1c42
#5 0.02 ± 0.02
O=[N+]([O-])c1ccccc1-c1[nH]c2c3cccnc3c3ncccc3c2[n]1->[Ru+2]
#6 0.01 ± 0.01
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3c(ccc[n]3->[Ru+2])c2[nH]1
#7 0.00 ± 0.01
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccccc61)[nH]c5c1ccc[n]->2c1c43
#8 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c3ccc[n](->[Ru+2])c3c3ncccc3c2[nH]1
#9 0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5[nH]c(-c6ccccc61)[n]->2c5c1cccnc1c43
#10 0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c3c3ncccc3c3[nH]c(-c5ccccc51)[n]->2c43
#11 0.00 ± 0.00
O=[N+]1[O][Ru+]<-[n]2c(-c3ccccc31)[nH]c1c3cccnc3c3ncccc3c12
#12 0.00 ± 0.00
O=[N+]([O][Ru+])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
#13 0.00 ± 0.00
O=[N+]1[O][Ru+]<-[n]2cccc3c4[nH]c(-c5ccccc51)nc4c1cccnc1c32
#14 0.00 ± 0.00
c1ccc([N+]2[O][Ru+]<-[O]=2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
#15 0.00 ± 0.00
O=[N+]1[O][Ru+]<-[n]2cccc3c4nc(-c5ccccc51)[nH]c4c1cccnc1c32
#16 0.00 ± 0.00
O=[N+]([O-]->[Ru+2])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
#17 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c([nH]1)c1c(c3ncccc32)N=C[CH]2[Ru+2][CH]12
#18 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1[nH]c2c3cccnc3c3nc[cH]4->[Ru+2]5<-[cH]4c3c2[n]->51
#19 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1[nH]c2c3c4nc[cH]5->[Ru+2](<-[cH]35)<-[n]1c2c1cccnc14
#20 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c3c(c4ncccc4c2[nH]1)N=C[CH]1[Ru+2][CH]31
#21 0.00 ± 0.00
O=[N+]([O-])C1=C(c2nc3c4cccnc4c4ncccc4c3[nH]2)[CH]2[Ru+2][CH]2C=C1
#22 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c([nH]1)c1ccc[n]3->[Ru+2]4<-[cH]5cnc(c2[cH]->45)c13
#23 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]2c1-c1[nH]c2c4cccnc4c4ncccc4c2[n]->31
#24 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]2cc1-c1[nH]c2c4cccnc4c4ncccc4c2[n]->31
#25 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c3ccc[n]4->[Ru+2]5<-[cH]6cnc(c(c2[nH]1)[cH]->56)c34
#26 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]2cc1-c1nc2c4cccnc4c4c(ccc[n]->34)c2[nH]1
#27 0.00 ± 0.00
O=[N+]([O-])c1c2-c3nc4c5cccnc5c5c(ccc[n]5->[Ru+2]5<-[cH](cc2)[cH]->51)c4[nH]3
#28 0.00 ± 0.00
O=[N+]([O-])c1c2-c3[nH]c4c5cccnc5c5ncccc5c4[n]3->[Ru+2]3<-[cH](cc2)[cH]->31
#29 0.00 ± 0.00
O=[N+]([O-])C1=C(c2nc3c4cccnc4c4ncccc4c3[nH]2)C=C[CH]2[Ru+2][CH]12
#30 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3nc[cH]4->[Ru+2]<-[cH]4c3c2[nH]1
#31 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]2c1-c1nc2c4cccnc4c4c(ccc[n]->34)c2[nH]1
#32 0.00 ± 0.00
[O-][N+](=[O]->[Ru+2])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
#33 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]<-[cH]2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
#34 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]2cc1-c1nc2c4ccc[n]->3c4c3ncccc3c2[nH]1
#35 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c([nH]1)c1cccnc1c1nc[cH]3->[Ru+2]<-[cH]3c12
#36 0.00 ± 0.00
O=[N+]([O-])c1c2-c3nc4c5ccc[n](->[Ru+2]6<-[cH](cc2)[cH]->61)c5c1ncccc1c4[nH]3
#37 0.00 ± 0.00
O=[N+]([O-])c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc[cH]2->[Ru+2]<-[cH]12
#38 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]<-[cH]2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
#39 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]2c1-c1nc2c4ccc[n]->3c4c3ncccc3c2[nH]1
#40 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+]3<-[cH](c1-c1nc4c5cccnc5c5ncccc5c4[nH]1)[cH]->32
#41 0.00 ± 0.00
O=[N+]([O-])c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c[cH]2->[Ru+]3<-[cH]1[cH]->32
#42 0.00 ± 0.00
O=[N+]([O-])c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#43 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6nc(-c1cc2)[nH]c6c5[cH]->34
#44 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c([nH]1)c1c3nc[cH]4->[Ru+2](<-[cH]5ccnc3c25)<-[cH]14
#45 0.00 ± 0.00
O=[N+]([O-])C1=C(c2nc3c4cccnc4c4ncccc4c3[nH]2)[CH]2[CH]3[CH]4[CH]1[Ru+2]234
#46 0.00 ± 0.00
O=[N+]([O-])c1c2-c3nc4c5cccnc5c5nc[cH]6->[Ru+2](<-[cH]1ccc2)<-[cH]6c5c4[nH]3
#47 0.00 ± 0.00
O=[N+]([O-])c1ccc[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6nc(-c12)[nH]c6c5[cH]->34
#48 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c3c[cH]4->[Ru+2]5<-[cH]6cnc(c3nc4)c(c2[nH]1)[cH]->56
#49 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6nc(-c1c2)[nH]c6c5[cH]->34
#50 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6[nH]c(-c1cc2)nc6c5[cH]->34
#51 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c([nH]1)c1c3ncc[cH]1->[Ru+2]1<-[cH]4cnc3c2[cH]->14
#52 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]4ccnc5c6ncccc6c6nc(-c1c[cH]->32)[nH]c6c54
#53 0.00 ± 0.00
O=[N+]([O-])c1c2-c3nc4c5cccnc5c5ncc[cH](->[Ru+2]6<-[cH](cc2)[cH]->61)c5c4[nH]3
#54 0.00 ± 0.00
O=[N+]([O-])c1c[cH](->[Ru+2])ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
#55 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]4ccnc5c6ncccc6c6nc(-c1[cH]->32)[nH]c6c54
#56 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]4ccnc5c6ncccc6c6[nH]c(-c1c[cH]->32)nc6c54
#57 0.00 ± 0.00
O=[N+]([O-])c1c2-c3nc4c([nH]3)c3cccnc3c3ncc[cH](->[Ru+2]5<-[cH](cc2)[cH]->51)c34
#58 0.00 ± 0.00
O=[N+]([O-])c1c2-c3nc4c([nH]3)c3cccnc3c3nc[cH]5->[Ru+2](<-[cH]1ccc2)<-[cH]5c34
#59 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c([nH]1)c1c[cH]3->[Ru+2]4<-[cH]5cnc(c1nc3)c2[cH]->45
#60 0.00 ± 0.00
O=[N+]([O-])c1ccc[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6[nH]c(-c12)nc6c5[cH]->34
#61 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c3c[cH](->[Ru+2])cnc3c3ncccc3c2[nH]1
#62 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]4cnc5c(c4)c4[nH]c(-c1c[cH]->32)nc4c1cccnc15
#63 0.00 ± 0.00
O=[N+]([O-])c1c2-c3nc4c5cccnc5c5nc[cH](->[Ru+2]6<-[cH](cc2)[cH]->61)cc5c4[nH]3
#64 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6[nH]c(-c1c2)nc6c5[cH]->34
#65 0.00 ± 0.00
O=[N+]([O-])c1c[cH]2->[Ru+2]3<-[cH]4cnc5c(c4)c4nc(-c1c[cH]->32)[nH]c4c1cccnc15
#66 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]4ccnc5c6ncccc6c6[nH]c(-c1[cH]->32)nc6c54
#67 0.00 ± 0.00
O=[N+]([O-])c1c2-c3nc4c5c[cH](->[Ru+2]6<-[cH](cc2)[cH]->61)cnc5c1ncccc1c4[nH]3
#68 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3nc[cH](->[Ru+2])cc3c2[nH]1
#69 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]4cnc5c(c4)c4[nH]c(-c1[cH]->32)nc4c1cccnc15
#70 0.00 ± 0.00
O=[N+]([O-])c1cc[cH]2->[Ru+2]3<-[cH]4cnc5c(c4)c4nc(-c1[cH]->32)[nH]c4c1cccnc15
#71 0.00 ± 0.00
O=[N+]([O-])c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc[cH]1->[Ru+2]
#72 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3ncc[cH](->[Ru+2])c3c2[nH]1
#73 0.00 ± 0.00
O=[N+]([O-])c1cc[cH](->[Ru+2])cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
#74 0.00 ± 0.00
O=[N+]([O-])c1ccc[cH](->[Ru+2])c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
#75 0.00 ± 0.00
O=[N+]([O-])c1ccccc1-c1nc2c([nH]1)c1cccnc1c1ncc[cH](->[Ru+2])c12