home← all results complex #327

Complex #327 — Ru(2) [4g]

GT: {"O": 1, "N": 4} → Top-1: {}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
51
Candidates
{"O": 1, "N": 4}
Ground Truth
{}
Top-1 Prediction
0.350
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.35 ± 0.20
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#1 TOP-1 0.11 ± 0.20
CC(C)[c]12->[Ru+2]345678(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[n]1cccc2c3[nH]c(-c4ccc([N+](=O)...
#2 0.11 ± 0.13
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#2 0.10 ± 0.22
CC(C)[c]12->[Ru+]34567([O][N+](=O)c8ccc(-c9[nH]c%10c%11cccnc%11c%11ncccc%11c%10[n]->39)cc8)<-[cH]([c...
#3 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#3 0.06 ± 0.14
CC(C)[c]12->[Ru+]345678([O][N+](=O)c9ccc(-c%10[nH]c%11c%12ccc[n]->3c%12c3ncccc3c%11[n]->4%10)cc9)<-[...
#4 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#4 0.06 ± 0.13
CC(C)[c]12->[Ru+]345678([O][N+](=O)c9ccc(-c%10[nH]c%11c%12cccnc%12c%12c(ccc[n]->3%12)c%11[n]->4%10)c...
#5 0.03 ± 0.06
CC(C)[c]12->[Ru+]345678([O][N+](=O)c9ccc(-c%10nc%11c%12ccc[n]->3c%12c3c(ccc[n]->43)c%11[nH]%10)cc9)<...
#6 0.02 ± 0.05
CC(C)[c]12->[Ru+]34567([O][N+](=O)c8ccc(-c9nc%10c%11cccnc%11c%11c(ccc[n]->3%11)c%10[nH]9)cc8)<-[cH](...
#7 0.02 ± 0.04
CC(C)[c]12->[Ru+]3456([O][N+](=O)c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc7)<-[cH]([cH]->31)[c]...
#8 0.01 ± 0.02
CC(C)[c]12->[Ru+]34567([O][N+](=O)c8ccc(-c9nc%10c%11ccc[n]->3c%11c3ncccc3c%10[nH]9)cc8)<-[cH]([cH]->...
#9 0.00 ± 0.01
CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[n]1cccc2c3nc(-c4ccc([N+](=O)[O-]...
#10 0.00 ± 0.00
CC(C)[c]12->[Ru+]34567([O][N+](=[O]->3)c3ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc3)<-[cH]([cH]->...
#11 0.00 ± 0.00
CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c3ccc...
#12 0.00 ± 0.00
CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[n]1cccc2c3[nH]c(-c4ccc([N+](=O)[...
#13 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[n]1cccc2c3[nH]c(-c4ccc([N+](=O)[O...
#14 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[n]1c(-c2ccc([N+](=O)[O-])cc2)[nH]...
#15 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[n]1cccc2c3nc(-c4ccc([N+](=O)[O-])...
#16 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cnc%10c%11ncccc%11c%11[nH]c(-c%12ccc([N+](=O)[O-])cc%12)[n]->3c%11c%...
#17 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[O-][N+](=O)c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc7)<-[cH]([cH]->31...
#18 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cnc%10c%11ncccc%11c%11c([nH]c(-c%12ccc([N+](=O)[O-])cc%12)[n]->3%11)...
#19 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cnc%10c(c%11nc(-c%12ccc([N+](=O)[O-])cc%12)[nH]c%11c%11ccc[n]->3c%11...
#20 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]7ccnc8c9ncccc9c9[nH]c(-c%10ccc([N+](=O)[O-])cc%10)nc9c87)<-[cH]([cH]->3...
#21 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]7ccnc8c9ncccc9c9nc(-c%10ccc([N+](=O)[O-])cc%10)[nH]c9c87)<-[cH]([cH]->3...
#22 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9c(-c%10[nH]c%11c%12cccnc%12c%12ncccc%12c%11[n]->3%10)ccc([N+](=O)[O-...
#23 0.00 ± 0.00
CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Nc2c(c3nc(-c4ccc([N+](=O)[O-...
#24 0.00 ± 0.00
CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Nc2c(c3[nH]c(-c4ccc([N+](=O)...
#25 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cnc%10c(c%11[nH]c(-c%12ccc([N+](=O)[O-])cc%12)nc%11c%11ccc[n]->3c%11...
#26 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[O]=[N+]([O-])c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc7)<-[cH]([cH]->...
#27 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9c(-c%10nc%11c%12cccnc%12c%12c(ccc[n]->3%12)c%11[nH]%10)ccc([N+](=O)[...
#28 0.00 ± 0.00
CC(C)[c]12->[Ru+2]34567(<-[cH]8cnc9c%10ncccc%10c%10nc(-c%11ccc([N+](=O)[O-])cc%11)[nH]c%10c9[cH]->38...
#29 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]7cnc8c(c7)c7[nH]c(-c9ccc([N+](=O)[O-])cc9)nc7c7cccnc78)<-[cH]([cH]->31)...
#30 0.00 ± 0.00
CC(C)[c]12->[Ru+2]34567(<-[cH]8cnc9c%10ncccc%10c%10[nH]c(-c%11ccc([N+](=O)[O-])cc%11)nc%10c9[cH]->38...
#31 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]7cnc8c(c7)c7nc(-c9ccc([N+](=O)[O-])cc9)[nH]c7c7cccnc78)<-[cH]([cH]->31)...
#32 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9c(-c%10nc%11c%12ccc[n]->3c%12c3ncccc3c%11[nH]%10)ccc([N+](=O)[O-])[c...
#33 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]7cc([N+](=O)[O-])ccc7-c7nc8c9cccnc9c9ncccc9c8[nH]7)<-[cH]([cH]->31)[c]-...
#34 0.00 ± 0.00
CC(C)[c]12->[Ru+2]3456(<-[cH]7cc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)ccc7[N+](=O)[O-])<-[cH]([cH]-...
#35 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9ccnc%10c%11nc[cH]->3[cH]->4c%11c3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3c%...
#36 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9ccnc%10c%11nc[cH]->3[cH]->4c%11c3nc(-c4ccc([N+](=O)[O-])cc4)[nH]c3c%...
#37 0.00 ± 0.00
CC(C)[c]12->[Ru+2]34567(<-[cH]8c(-c9nc%10c%11cccnc%11c%11ncccc%11c%10[nH]9)ccc([N+](=O)[O-])[cH]->38...
#38 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cnc%10c(c9)c9nc(-c%11ccc([N+](=O)[O-])cc%11)[nH]c9c9c%10nc[cH]->3[cH...
#39 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cnc%10c(c9)c9[nH]c(-c%11ccc([N+](=O)[O-])cc%11)nc9c9c%10nc[cH]->3[cH...
#40 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9ccnc%10c%11ncccc%11c%11[nH]c(-c%12ccc([N+](=O)[O-])[cH]->3[cH]->4%12...
#41 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9ccnc%10c%11ncccc%11c%11nc(-c%12ccc([N+](=O)[O-])[cH]->3[cH]->4%12)[n...
#42 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cc(-c%10nc%11c%12cccnc%12c%12nc[cH]->3[cH]->4c%12c%11[nH]%10)ccc9[N+...
#43 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cc([N+](=O)[O-])ccc9-c9nc%10c%11cccnc%11c%11nc[cH]->3[cH]->4c%11c%10...
#44 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cc(-c%10nc%11c([nH]%10)c%10cccnc%10c%10nc[cH]->3[cH]->4c%10%11)ccc9[...
#45 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cc([N+](=O)[O-])ccc9-c9nc%10c([nH]9)c9cccnc9c9nc[cH]->3[cH]->4c9%10)...
#46 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cnc%10c(c9)c9[nH]c(-c%11ccc([N+](=O)[O-])[cH]->3[cH]->4%11)nc9c3cccn...
#47 0.00 ± 0.00
CC(C)[c]12->[Ru+2]345678(<-[cH]9cnc%10c(c9)c9nc(-c%11ccc([N+](=O)[O-])[cH]->3[cH]->4%11)[nH]c9c3cccn...