63
Candidates
{"N": 6}
Ground Truth
{"N": 2}
Top-1 Prediction
0.990
Match Score
#1
TOP-1
0.99 ± 0.01
Ic1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1I)c6c45
#1
TOP-1
0.40 ± 0.36
Ic1cc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2cc1I)c9c45)<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c2cc(...
#1
TOP-1
0.58 ± 0.46
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2cc1I)c%10c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->...
#2
0.46 ± 0.12
Ic1cc2c(cc1I)[n]1->[Ru+2]<-[n]2c2c3cccnc3c3ncccc3c21
#2
0.17 ± 0.37
Ic1cc2nc3c4c(c5ncccc5c3nc2cc1I)N=C[CH]1[CH]4[Ru+2]12<-[n]1cccc3c4nc5cc(I)c(I)cc5nc4c4ccc[n]->2c4c31
#2
0.48 ± 0.44
Ic1cc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2cc1I)c9c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c2cc...
#3
0.21 ± 0.32
Ic1cc2c(cc1I)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c1c6[n]->42
#3
0.16 ± 0.26
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1c2cc(I)c(I)cc2[n]->6c2c3cccnc3c3ncccc3c...
#3
0.48 ± 0.48
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10%11(<-[n]%12cccc(c3nc2cc1I)c%12c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c...
#4
0.04 ± 0.02
[Ru+2]<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3cccnc3c21
#4
0.15 ± 0.25
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#4
0.45 ± 0.49
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[n]%11cccc%12c%11c%11ncccc%11c%11c%12[n]->6c6cc(I)c(I)cc6[n]->7%...
#5
0.02 ± 0.01
Ic1cc2c(cc1I)[n]1->[Ru+2]3<-[n]4cccc5c4c4ncccc4c(c51)[n]->32
#5
0.13 ± 0.28
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#5
0.37 ± 0.48
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[n]%11cccc(c3nc2cc1I)c%11c45)(<-[n]1cccc2c3nc4cc(I)c(I)cc4[n]->6...
#6
0.01 ± 0.01
[Ru+2]<-[n]1c2cc(I)c(I)cc2nc2c3cccnc3c3ncccc3c21
#6
0.07 ± 0.07
Ic1cc2nc3c4cccnc4c4c(ccc[n]4->[Ru+2]4<-[n]5cccc6c7nc8cc(I)c(I)cc8nc7c7ccc[n]->4c7c65)c3nc2cc1I
#6
0.35 ± 0.38
Ic1cc2nc3c4cccnc4c4c(ccc[n]4->[Ru+2]4567(<-[n]8cccc9c%10nc%11cc(I)c(I)cc%11nc%10c%10ccc[n]->4c%10c98...
#7
0.01 ± 0.01
Ic1cc2nc3c4ccc[n]5->[Ru+2]6<-[n]7cccc(c7c45)c3[n]->6c2cc1I
#7
0.03 ± 0.05
Ic1cc2nc3c4ccc[n]5->[Ru+2](<-[n]6cccc(c3nc2cc1I)c6c45)<-[n]1c2cc(I)c(I)cc2nc2c3cccnc3c3ncccc3c21
#7
0.32 ± 0.44
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc%11c%12nc%13cc(I)c(I)cc%13[n]->6c%12c6cccnc6c%11%10)(<-[n...
#8
0.01 ± 0.01
Ic1cc2nc3c4cccnc4c4c5ccc[n]4->[Ru+2]<-[n](c2cc1I)c53
#8
0.03 ± 0.05
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc(c3nc2cc1I)c8c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4[n]->6c3c3ccc[n]...
#8
0.32 ± 0.31
Ic1cc2nc3c4c(c5ncccc5c3nc2cc1I)N=C[CH]1[CH]4[Ru+2]12345(<-[n]1cccc6c7nc8cc(I)c(I)cc8nc7c7ccc[n]->2c7...
#9
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]<-[n](c2cc1I)c3c1cccnc1c45
#9
0.01 ± 0.02
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8c7c7ncccc7c7nc9cc(I)c(I)cc9[n]->6c87)<-[n]6cccc(c3nc2cc1I)c6c...
#9
0.32 ± 0.44
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc%11c%10c%10ncccc%10c%10nc%12cc(I)c(I)cc%12[n]->6c%11%10)(...
#10
0.00 ± 0.00
Ic1cc2nc3c4c(c5ncccc5c3nc2cc1I)N=C[CH]1[Ru+2][CH]41
#10
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8c9nc%10cc(I)c(I)cc%10[n]->6c9c6cccnc6c87)<-[n]6cccc(c3nc2cc1I...
#10
0.26 ± 0.41
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2cc1I)c%10c45)(<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[...
#11
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6<-[cH]7cnc(c(c3nc2cc1I)[cH]->67)c45
#11
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c(c%10nc%11cc(I)c(I)cc%11nc%10c%10ccc[n]->6c%109)[cH]->78)<-...
#11
0.07 ± 0.13
Ic1cc2nc3c4ccc[n]5->[Ru+2]678(<-[cH]9c(I)c(I)cc%10nc%11c%12cccnc%12c%12ncccc%12c%11nc%109)(<-[n]9ccc...
#12
0.00 ± 0.00
Ic1cc2nc3c4cccnc4c4nc[cH]5->[Ru+2]6<-[cH]5c4c3[n]->6c2cc1I
#12
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c%10ncccc%10c%10nc%11cc(I)c(I)cc%11[n]->6c%10c9[cH]->78)<-[n...
#12
0.06 ± 0.11
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c%13ncccc%13c%13nc%14cc(I)c(I)cc%14[n]->6c%13c%12[c...
#13
0.00 ± 0.00
Ic1cc2nc3c4cccnc4c4nc[cH]5->[Ru+2]<-[cH]5c4c3nc2cc1I
#13
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c%10ncccc%10c%10c(nc%11cc(I)c(I)cc%11[n]->6%10)c9[cH]->78)<-...
#13
0.03 ± 0.06
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[cH]%10cnc%11c%12ncccc%12c%12nc%13cc(I)c(I)cc%13nc%12c%11[cH]->6%10...
#14
0.00 ± 0.00
Ic1cc2nc3c4c5nc[cH]6->[Ru+2](<-[cH]46)<-[n](c2cc1I)c3c1cccnc15
#14
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[cH]7cnc8c9ncccc9c9nc%10cc(I)c(I)cc%10nc9c8[cH]->67)<-[n]6cccc(c3nc2cc...
#14
0.01 ± 0.01
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c%13ncccc%13c%13c(nc%14cc(I)c(I)cc%14[n]->6%13)c%12...
#15
0.00 ± 0.00
Ic1cc2nc3c4cccnc4c4nc[cH]5->[Ru+2]6<-[cH](c1I)c2nc3c4[cH]->65
#15
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2](<-[cH]6c(I)c(I)cc7nc8c9cccnc9c9ncccc9c8nc76)<-[n]6cccc(c3nc2cc1I)c6c45
#15
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c(c%13nc%14cc(I)c(I)cc%14nc%13c%13ccc[n]->6c%13%12)...
#16
0.00 ± 0.00
Ic1cc2nc3c(nc2cc1I)c1c2nc[cH]4->[Ru+2](<-[cH]5ccnc2c35)<-[cH]14
#16
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8c(I)c(I)cc9nc%10c(nc98)c8cccnc8c8nc[cH]->6[cH]->7c8%10)<-[n]6ccc...
#16
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]678(<-[cH]9ccnc%10c%11ncccc%11c%11nc%12cc(I)c(I)cc%12nc%11c%109)(<-[n]9ccc...
#17
0.00 ± 0.00
Ic1cc2nc3c4nc2[cH](->[Ru+2]2<-[cH]5cnc(c6ncccc64)c3[cH]->25)c1I
#17
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8c(I)c(I)cc9nc%10c%11cccnc%11c%11nc[cH]->6[cH]->7c%11c%10nc98)<-[...
#17
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11c(I)c(I)cc%12nc%13c%14cccnc%14c%14nc[cH]->6[cH]->7c%14c%1...
#18
0.00 ± 0.00
Ic1cc2nc3c4c[cH]5->[Ru+2]6<-[cH]7cnc(c4nc5)c(c3nc2cc1I)[cH]->67
#18
0.00 ± 0.00
Ic1cc2nc3c4cccnc4c4nc[cH](->[Ru+2]5<-[n]6cccc7c8nc9cc(I)c(I)cc9nc8c8ccc[n]->5c8c76)cc4c3nc2cc1I
#18
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11c(I)c(I)cc%12nc%13c(nc%12%11)c%11cccnc%11c%11nc[cH]->6[cH...
#19
0.00 ± 0.00
[Ru+2]<-[cH]1cnc2c(c1)c1nc3cc(I)c(I)cc3nc1c1cccnc12
#19
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccnc9c%10nc[cH]->6[cH]->7c%10c6nc7cc(I)c(I)cc7nc6c98)<-[n]6cccc(...
#19
0.00 ± 0.00
Ic1cc2nc3c4cccnc4c4nc[cH](->[Ru+2]5678(<-[n]9cccc%10c%11nc%12cc(I)c(I)cc%12nc%11c%11ccc[n]->5c%11c%1...
#20
0.00 ± 0.00
[Ru+2]<-[cH]1ccnc2c3ncccc3c3nc4cc(I)c(I)cc4nc3c21
#20
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2](<-[cH]6ccnc7c8ncccc8c8nc9cc(I)c(I)cc9nc8c76)<-[n]6cccc(c3nc2cc1I)c6c45
#20
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccnc%12c%13nc[cH]->6[cH]->7c%13c6nc7cc(I)c(I)cc7nc6c%12%1...
#21
0.00 ± 0.00
[Ru+2]<-[cH]1c(I)c(I)cc2nc3c4cccnc4c4ncccc4c3nc21
#21
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c(c8)c8nc%10cc(I)c(I)cc%10nc8c8c9nc[cH]->6[cH]->78)<-[n]6ccc...
#21
0.00 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c(c%11)c%11nc%13cc(I)c(I)cc%13nc%11c%11c%12nc[cH]->...