55
Candidates
{"N": 5, "O": 1}
Ground Truth
{"N": 2}
Top-1 Prediction
1.000
Match Score
#1
TOP-1
1.00 ± 0.00
Cc1cc[n]2->[Ru+2]<-[n]3ccc(C)cc3-c2c1
#1
TOP-1
0.25 ± 0.41
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31
#1
TOP-1
0.30 ± 0.39
Cc1cc[n]2->[Ru+2]345(<-[n]6ccc(C)cc6-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c6cc...
#2
0.00 ± 0.00
Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2])c1
#2
0.00 ± 0.00
Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2]2<-[n]3ccc(C)cc3-c3cc(C)cc[n]->23)c1
#2
0.19 ± 0.41
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c5ccc...
#3
0.00 ± 0.00
Cc1ccnc(-c2cc(C)[cH](->[Ru+2])cn2)c1
#3
0.00 ± 0.00
Cc1ccnc(-c2cc(C)[cH](->[Ru+2]3<-[n]4ccc(C)cc4-c4cc(C)cc[n]->34)cn2)c1
#3
0.18 ± 0.38
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c1c1ncccc1c1[n...
#4
0.00 ± 0.00
Cc1ccnc(-c2nccc(C)[cH]2->[Ru+2])c1
#4
0.00 ± 0.00
Cc1ccnc(-c2nccc(C)[cH]2->[Ru+2]2<-[n]3ccc(C)cc3-c3cc(C)cc[n]->23)c1
#4
0.18 ± 0.38
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3nc(-c5ccc([N...
#5
0.07 ± 0.14
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1c(-c2ccc([N+](=O)[O-...
#6
0.04 ± 0.09
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c4ccc(...
#7
0.02 ± 0.03
Cc1cc[n]2->[Ru+]345([O][N+](=O)c6ccc(-c7[nH]c8c9ccc[n]->3c9c3ncccc3c8[n]->47)cc6)(<-[n]3ccc(C)cc3-c2...
#8
0.01 ± 0.02
Cc1cc[n]2->[Ru+]345([O][N+](=O)c6ccc(-c7[nH]c8c9cccnc9c9c(ccc[n]->39)c8[n]->47)cc6)(<-[n]3ccc(C)cc3-...
#9
0.01 ± 0.02
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3nc(-c4ccc([N+...
#10
0.01 ± 0.01
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)[CH]1C=Nc2c(c3[nH]c(-c5cc...
#11
0.01 ± 0.01
Cc1cc[n]2->[Ru+2]345(<-[cH]6c(-c7[nH]c8c9cccnc9c9ncccc9c8[n]->37)ccc([N+](=O)[O-])[cH]->46)(<-[n]3cc...
#12
0.01 ± 0.01
Cc1cc[n]2->[Ru+2]3(<-[O-][N+](=O)c4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)cc4)(<-[n]4ccc(C)cc4-c2c1)<-[n]...
#13
0.01 ± 0.01
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)[CH]1C=Nc2c(c3nc(-c5ccc([...
#14
0.00 ± 0.01
Cc1cc[n]2->[Ru+]345([O][N+](=O)c6ccc(-c7nc8c9ccc[n]->3c9c3c(ccc[n]->43)c8[nH]7)cc6)(<-[n]3ccc(C)cc3-...
#15
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c8ncccc8c8[nH]c(-c9ccc([N+](=O)[O-])cc9)[n]->3c8c7[cH]->46)(<-[n]3cc...
#16
0.00 ± 0.00
Cc1cc[n]2->[Ru+]34([O][N+](=O)c5ccc(-c6[nH]c7c8cccnc8c8ncccc8c7[n]->36)cc5)(<-[n]3ccc(C)cc3-c2c1)<-[...
#17
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c8ncccc8c8c([nH]c(-c9ccc([N+](=O)[O-])cc9)[n]->38)c7[cH]->46)(<-[n]3...
#18
0.00 ± 0.00
Cc1cc[n]2->[Ru+]34([O][N+](=O)c5ccc(-c6nc7c8cccnc8c8c(ccc[n]->38)c7[nH]6)cc5)(<-[n]3ccc(C)cc3-c2c1)<...
#19
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c8[nH]c(-c9ccc([N+](=O)[O-])cc9)nc8c8ccc[n]->3c87)[cH]->46)(<-[n]3...
#20
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[O]=[N+]([O-])c4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)cc4)(<-[n]4ccc(C)cc4-c2c1)<-[...
#21
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c8nc(-c9ccc([N+](=O)[O-])cc9)[nH]c8c8ccc[n]->3c87)[cH]->46)(<-[n]3...
#22
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[cH]5cnc6c7ncccc7c7nc(-c8ccc([N+](=O)[O-])cc8)[nH]c7c6[cH]->35)(<-[n]3ccc(C)cc...
#23
0.00 ± 0.00
Cc1cc[n]2->[Ru+]34([O][N+](=O)c5ccc(-c6nc7c8ccc[n]->3c8c3ncccc3c7[nH]6)cc5)(<-[n]3ccc(C)cc3-c2c1)<-[...
#24
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6c(-c7nc8c9cccnc9c9c(ccc[n]->39)c8[nH]7)ccc([N+](=O)[O-])[cH]->46)(<-[n]3...
#25
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[cH]5c(-c6nc7c8cccnc8c8ncccc8c7[nH]6)ccc([N+](=O)[O-])[cH]->35)(<-[n]3ccc(C)cc...
#26
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6c(-c7nc8c9ccc[n]->3c9c3ncccc3c8[nH]7)ccc([N+](=O)[O-])[cH]->46)(<-[n]3cc...
#27
0.00 ± 0.00
Cc1cc[n]2->[Ru+]34([O][N+](=[O]->3)c3ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)cc3)(<-[n]3ccc(C)cc3-c2c1)<-[...
#28
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[cH]5cnc6c7ncccc7c7[nH]c(-c8ccc([N+](=O)[O-])cc8)nc7c6[cH]->35)(<-[n]3ccc(C)cc...
#29
0.00 ± 0.00
Cc1cc[n]2->[Ru+]3([O][N+](=O)c4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)cc4)(<-[n]4ccc(C)cc4-c2c1)<-[n]1ccc...
#30
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4ccnc5c6ncccc6c6nc(-c7ccc([N+](=O)[O-])cc7)[nH]c6c54)(<-[n]4ccc(C)cc4-c2c1)...
#31
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4cc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)ccc4[N+](=O)[O-])(<-[n]4ccc(C)cc4-c2c1)<-...
#32
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4ccnc5c6ncccc6c6[nH]c(-c7ccc([N+](=O)[O-])cc7)nc6c54)(<-[n]4ccc(C)cc4-c2c1)...
#33
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cc(-c7nc8c9cccnc9c9nc[cH]->3[cH]->4c9c8[nH]7)ccc6[N+](=O)[O-])(<-[n]3ccc...
#34
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6nc(-c8ccc([N+](=O)[O-])cc8)[nH]c6c6c7nc[cH]->3[cH]->46)(<-[n]...
#35
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8nc[cH]->3[cH]->4c8c3nc(-c4ccc([N+](=O)[O-])cc4)[nH]c3c76)(<-[n]3c...
#36
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8ncccc8c8nc(-c9ccc([N+](=O)[O-])[cH]->3[cH]->49)[nH]c8c76)(<-[n]3c...
#37
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cc([N+](=O)[O-])ccc6-c6nc7c8cccnc8c8nc[cH]->3[cH]->4c8c7[nH]6)(<-[n]3ccc...
#38
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6[nH]c(-c8ccc([N+](=O)[O-])cc8)nc6c6c7nc[cH]->3[cH]->46)(<-[n]...
#39
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8nc[cH]->3[cH]->4c8c3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3c76)(<-[n]3c...
#40
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cc(-c7nc8c([nH]7)c7cccnc7c7nc[cH]->3[cH]->4c78)ccc6[N+](=O)[O-])(<-[n]3c...
#41
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cc([N+](=O)[O-])ccc6-c6nc7c([nH]6)c6cccnc6c6nc[cH]->3[cH]->4c67)(<-[n]3c...
#42
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6[nH]c(-c8ccc([N+](=O)[O-])[cH]->3[cH]->48)nc6c3cccnc37)(<-[n]...
#43
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8ncccc8c8[nH]c(-c9ccc([N+](=O)[O-])[cH]->3[cH]->49)nc8c76)(<-[n]3c...
#44
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4cc([N+](=O)[O-])ccc4-c4nc5c6cccnc6c6ncccc6c5[nH]4)(<-[n]4ccc(C)cc4-c2c1)<-...
#45
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6nc(-c8ccc([N+](=O)[O-])[cH]->3[cH]->48)[nH]c6c3cccnc37)(<-[n]...
#46
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4cnc5c(c4)c4nc(-c6ccc([N+](=O)[O-])cc6)[nH]c4c4cccnc45)(<-[n]4ccc(C)cc4-c2c...
#47
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4cnc5c(c4)c4[nH]c(-c6ccc([N+](=O)[O-])cc6)nc4c4cccnc45)(<-[n]4ccc(C)cc4-c2c...