3
Candidates
{"N": 3, "S": 1, "P": 2}
Ground Truth
{"N": 6, "S": 3, "P": 3}
Top-1 Prediction
0.500
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.00
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.99 ± 0.02
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1
TOP-1
0.84 ± 0.13
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#1
TOP-1
0.98 ± 0.02
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)<-[P](c1ccccc1)(c1c...
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
CC(=N)C(C)=[N]1N=C(SCc2ccccc2)[S][Ru+]<-1
#2
0.03 ± 0.03
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)[CH]1C=CC=C([CH]13)P(c1ccccc1)C1=CC=C[CH]4[CH]15
#2
0.02 ± 0.01
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC=C([CH]...
#3
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1
#3
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1
#3
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1
#3
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1
#3
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1
#3
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1