70
Candidates
{"N": 5, "O": 1}
Ground Truth
{"O": 1, "N": 3}
Top-1 Prediction
0.420
Match Score
#1
TOP-1
0.23 ± 0.33
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#1
TOP-1
0.42 ± 0.50
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)<-[n]3ccccc3-c3cccc[n]->43)cc2)ccn1
#1
TOP-1
0.39 ± 0.53
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)(<-[n]3ccccc3-c3cccc[n]->43)<-[n]3ccc...
#2
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=Nc3ccc(Cl)c(C(F)(F)F)c3)[O][Ru+])cc2)ccn1
#2
0.13 ± 0.28
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6ccnc(-c7cccc[n]->47)[cH]->56)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)c...
#2
0.14 ± 0.23
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7ccnc(-c8cccc[n]->48)[cH]->57)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3...
#3
0.00 ± 0.00
CNC(=O)c1cc2Oc3ccc(NC(=Nc4ccc(Cl)c(C(F)(F)F)c4)[O][Ru+]<-[n]1cc2)cc3
#3
0.00 ± 0.01
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[cH]5ccnc(-c6ccccn6)[cH]->45)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn...
#3
0.09 ± 0.19
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)(<-[n]3ccccc3-c3cccc[n]->43)[CH]3C=NC...
#4
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#4
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)[CH]3C=NC(c5ccccn5)=C[CH]34)cc2)ccn1
#4
0.05 ± 0.11
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7cccnc7-c7ncc[cH]->4[cH]->57)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)...
#5
0.00 ± 0.00
CNC(=O)c1cc2Oc3ccc(NC([O-])=[N](->[Ru+2]<-[n]1cc2)c1ccc(Cl)c(C(F)(F)F)c1)cc3
#5
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6cnc(-c7cccc[n]->47)c[cH]->56)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)c...
#5
0.04 ± 0.08
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6ccnc(-c7ccccn7)[cH]->46)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)<-[n]...
#6
0.00 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC([O-])=Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#6
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[cH]5cnc(-c6ccccn6)c[cH]->45)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn...
#6
0.00 ± 0.01
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6cnc(-c7ccccn7)c[cH]->46)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)<-[n]...
#7
0.00 ± 0.00
C[NH]1->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc(C1=O)c3)cc2
#7
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6cccnc6-c6ncc[cH]->4[cH]->56)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc...
#7
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[cH]5cccnc5-c5ccccn5)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)<-[n]3ccccc3-c...
#8
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=[N](->[Ru+2])c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#8
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+](<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)<-[n]3ccccc3-c3ccccn3)cc2)ccn1
#8
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7ccc(-c8ncc[cH]->4[cH]->58)nc7)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c...
#9
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=Nc3ccc(Cl)c(C(F)(F)F)c3)[O-]->[Ru+2])cc2)ccn1
#9
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru]45(<-[cH]6cnc(-c7ccccn7)[cH]->4[cH]->56)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)c...
#9
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7cnc(-c8cccc[n]->48)c[cH]->57)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3...
#10
0.00 ± 0.00
C[NH]1->[Ru+2]<-[n]2ccc(Oc3ccc(NC([O-])=Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#10
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6cccnc6-c6c[cH]->4[cH]->5cn6)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc...
#10
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)(<-[n]3ccccc3-c3ccccn3)<-[n]3ccccc3-c3...
#11
0.00 ± 0.00
C[NH]1->[Ru+]<-[n]2ccc(Oc3ccc(NC([O-])=Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C1=O
#11
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+](<-[cH]4cccnc4-c4ccccn4)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#11
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru]456(<-[cH]7cnc(-c8ccccn8)[cH]->4[cH]->57)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3...
#12
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]
#12
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6ccc(-c7ncc[cH]->4[cH]->57)nc6)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)...
#12
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7ccc(-c8c[cH]->4[cH]->5cn8)nc7)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c...
#13
0.00 ± 0.00
CNC(=O)[c]12->[Ru+2]<-[n]1ccc(Oc1ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc1)c2
#13
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+](<-[cH]4ccc(-c5ccccn5)nc4)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#13
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7cccnc7-c7c[cH]->4[cH]->5cn7)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)...
#14
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc([NH](->[Ru+2])C([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#14
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6ccnc(-c7ncc[cH]->4[cH]->57)c6)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)...
#14
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7ccnc(-c8ncc[cH]->4[cH]->58)c7)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c...
#15
0.00 ± 0.00
CNC(=[O]->[Ru+2])c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#15
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+](<-[cH]4ccnc(-c5ccccn5)c4)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#15
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7ccnc(-c8c[cH]->4[cH]->5cn8)c7)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c...
#16
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3cc(C(F)(F)F)c(Cl)[cH]4->[Ru+2]<-[cH]34)cc2)ccn1
#16
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6ccc(-c7c[cH]->4[cH]->5cn7)nc6)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)...
#16
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[cH]5ccc(-c6ccccn6)nc5)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)<-[n]3ccccc3...
#17
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)[cH]3->[Ru+2]<-[cH]23)ccn1
#17
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6ccnc(-c7c[cH]->4[cH]->5cn7)c6)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)...
#17
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[cH]5ccnc(-c6ccccn6)c5)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)<-[n]3ccccc3...
#18
0.00 ± 0.00
CNC(=O)c1cc2Oc3ccc(NC([O-])=Nc4cc(C(F)(F)F)c(Cl)[cH]5->[Ru+2](<-[cH]45)<-[n]1cc2)cc3
#19
0.00 ± 0.00
CNC(=O)c1cc2Oc3ccc(NC([O-])=Nc4ccc(Cl)c(C(F)(F)F)c4)[cH]4->[Ru+2](<-[cH]34)<-[n]1cc2
#20
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc3NC([O-])=Nc4ccc(Cl)c(C(F)(F)F)[cH]4->[Ru+2]4<-[cH]3[cH]->42)ccn1
#21
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc3NC([O-])=Nc4cc(C(F)(F)F)c(Cl)[cH]5->[Ru+2](<-[cH]2c3)<-[cH]45)ccn1
#22
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc3NC([O-])=Nc4cc(C(F)(F)F)c(Cl)c[cH]4->[Ru+2]4<-[cH]3[cH]->42)ccn1
#23
0.00 ± 0.00
C[NH](->[Ru+2])C(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#24
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc3NC([O-])=Nc4cc(C(F)(F)F)c(Cl)[cH]5->[Ru+2](<-[cH]3c2)<-[cH]45)ccn1
#25
0.00 ± 0.00
CNC(=O)c1nccc2Oc3ccc(NC([O-])=Nc4ccc(Cl)c(C(F)(F)F)c4)[cH]4->[Ru+2](<-[cH]21)<-[cH]34
#26
0.00 ± 0.00
CNC(=O)c1nccc2Oc3ccc(NC([O-])=Nc4cc(C(F)(F)F)c(Cl)[cH]5->[Ru+2](<-[cH]21)<-[cH]45)cc3
#27
0.00 ± 0.00
CNC(=O)c1cc2Oc3ccc(NC([O-])=Nc4ccc(Cl)c(C(F)(F)F)c4)[cH]4->[Ru+2](<-[cH]2cn1)<-[cH]34
#28
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)c[cH]2->[Ru+2])ccn1
#29
0.00 ± 0.00
CNC(=O)c1cc2Oc3ccc(NC([O-])=Nc4cc(C(F)(F)F)c(Cl)[cH]5->[Ru+2](<-[cH]2cn1)<-[cH]45)cc3
#30
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)[cH](->[Ru+2])c2)ccn1
#31
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3cc(C(F)(F)F)c(Cl)c[cH]3->[Ru+2])cc2)ccn1
#32
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc3NC([O-])=Nc4cc(C(F)(F)F)c(Cl)[cH](->[Ru+2]5<-[cH]3[cH]->52)c4)ccn1
#33
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)[cH]3->[Ru+2])cc2)ccn1
#34
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)[cH](->[Ru+2])cn1
#35
0.00 ± 0.00
CNC(=O)c1nccc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)[cH]1->[Ru+2]
#36
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3cc(C(F)(F)F)c(Cl)[cH](->[Ru+2])c3)cc2)ccn1