104
Candidates
{"P": 2, "N": 6}
Ground Truth
{"P": 2}
Top-1 Prediction
1.000
Match Score
#1
TOP-1
0.99 ± 0.01
[Ru+2]<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#1
TOP-1
1.00 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#1
TOP-1
0.55 ± 0.44
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]234(<-[n]5ccc(-c6[nH]c7ccccc7[n]->26)cc5-c2cc(-c5[nH]c6ccccc6[n...
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
C1=C(P(c2ccccc2)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#2
0.45 ± 0.50
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[n]4ccc(-c5nc6ccccc6[nH]5)cc4-c4cc(-c5[nH]c6ccccc6[n]->25)...
#3
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)cc1
#3
0.00 ± 0.00
C1=C[CH]2[CH](C(P(c3ccccc3)c3ccccc3)=C1)[Ru+2]2<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#3
0.39 ± 0.36
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[n]3ccc(-c4nc5ccccc5[nH]4)cc3-c3cc(-c4nc5ccccc5[nH]4)cc[n]-...
#4
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1
#4
0.00 ± 0.00
C1=C[CH]2[CH](C=C1P(c1ccccc1)c1ccccc1)[Ru+2]2<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#4
0.27 ± 0.39
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[n]3c(-c4ccnc(-c5cc(-c6[nH]c7ccccc7[n]->26)ccn5)c4)[nH]c2cc...
#5
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+]4<-[cH](c2)[cH]->43)cc1
#5
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+]4(<-[cH]2[cH]->43)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#5
0.14 ± 0.23
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]234(<-[P](c5ccccc5)(c5ccccc5)c5ccccc5)[CH]5c6nc(-c7ccnc(-c8cc(-...
#6
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)cc1
#6
0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=CC=C[CH]4[CH]1[Ru+2]243<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#6
0.12 ± 0.23
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[n]4ccc(-c5[nH]c6ccccc6[n]->25)cc4-c2cc(-c4[nH]c5ccccc5[n]...
#7
0.00 ± 0.00
C1=C[CH]2[Ru+2][CH]2C=C1P(c1ccccc1)c1ccccc1
#7
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2](<-[cH]23)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#7
0.03 ± 0.07
C1=C[CH]2[CH]3c4[nH]c(nc41)-c1ccnc(c1)-c1cc(ccn1)-c1nc4c([nH]1)[CH]1[CH](C=C4)[Ru+2]231(<-[P](c1cccc...
#8
0.00 ± 0.00
C1=C[CH]2[Ru+2][CH]2C(P(c2ccccc2)c2ccccc2)=C1
#8
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+2]45(<-[cH]2[cH]->4[cH]->53)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#8
0.03 ± 0.04
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[n]2c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)[nH]c3ccccc32)...
#9
0.00 ± 0.00
C1=C(P(c2ccccc2)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243
#9
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]3c2)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#9
0.03 ± 0.06
C1=C[CH]2[CH]3c4[nH]c(nc41)-c1ccnc(c1)-c1cc(ccn1)-c1nc4c([nH]1)C=C[CH]1[CH]4[Ru+2]123(<-[P](c1ccccc1...
#10
0.00 ± 0.00
[Ru+2]<-[cH]1ccccc1P(c1ccccc1)c1ccccc1
#10
0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]423<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#10
0.02 ± 0.03
C1=C[CH]2[CH]3c4nc([nH]c41)-c1ccnc(c1)-c1cc(ccn1)-c1nc4c([nH]1)C=C[CH]1[CH]4[Ru+2]213(<-[P](c1ccccc1...
#11
0.00 ± 0.00
[Ru+2]<-[cH]1ccc(P(c2ccccc2)c2ccccc2)cc1
#11
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+]4(<-[cH](c2)[cH]->43)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#11
0.01 ± 0.01
C1=C[CH]2[CH](c3[nH]c(-c4ccnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)c4)nc31)[Ru+2]2(<-[P](c1ccccc1)(c1ccccc1)...
#12
0.00 ± 0.00
c1ccc(P2c3cccc[cH]3->[Ru+2]3<-[cH]4cccc2[cH]->34)cc1
#12
0.00 ± 0.00
C1=C[CH]2[CH]3C=C1P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#12
0.00 ± 0.00
C1=C[CH]2[CH](c3nc(-c4ccnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)c4)[nH]c31)[Ru+2]2(<-[P](c1ccccc1)(c1ccccc1)...
#13
0.00 ± 0.00
[Ru+2]<-[cH]1cccc(P(c2ccccc2)c2ccccc2)c1
#13
0.00 ± 0.00
c1ccc(P2c3cccc[cH]3->[Ru+2]3(<-[cH]4cccc2[cH]->34)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#13
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[n]3ccc(-c4nc5ccccc5[nH]4)cc3-c3cc(-c4[nH]c5ccccc5[n]->24)c...
#14
0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=CC=C[CH]4[CH]1[Ru+2]243
#14
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cccc[cH]2->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#14
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[n]3ccc(-c4[nH]c5ccccc5[n]->24)cc3-c2cc(-c3nc4ccccc4[nH]3)c...
#15
0.00 ± 0.00
c1ccc(P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)<-[cH]4c3)cc1
#15
0.00 ± 0.00
c1ccc(P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)(<-[cH]4c3)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#15
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5c([nH]c(-c6ccnc(-c7cc(-c8nc9ccccc9[nH]8)ccn7)c6)[...
#16
0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)c3)cc1
#16
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH](->[Ru+2]<-[P](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
#16
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(-c6ccnc(-c7cc(-c8[nH]c9ccccc9[n]->28)ccn7)c6)[...
#17
0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)c3)cc1
#17
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH](->[Ru+2]<-[P](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
#17
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cc5[nH]c(-c6ccnc(-c7cc(-c8nc9ccccc9[nH]8)ccn7)c6)[n]-...
#18
0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)cc3)cc1
#18
0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4(<-[cH]5cccc2[cH]->45)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)c3)cc1
#18
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(-c6ccnc(-c7cc(-c8[nH]c9ccccc9[n]->28)ccn7)c...
#19
0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)cc3)cc1
#19
0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4(<-[cH]5cccc2[cH]->45)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc3)cc1
#19
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+]23(<-[cH]4cc5nc(-c6ccnc(-c7cc(-c8nc9ccccc9[nH]8)ccn7)c6)[nH]c5[c...
#20
0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]423
#20
0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4(<-[cH]5ccc2c[cH]->45)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)c3)cc1
#20
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[n]2ccc(-c3nc4ccccc4[nH]3)cc2-c2cc(-c3nc4ccccc4[nH]3)ccn2)<-...
#21
0.00 ± 0.00
C1=C[CH]2[CH]3C=C1P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234
#21
0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4(<-[cH]5ccc2c[cH]->45)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc3)cc1
#21
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(-c6ccnc(-c7cc(-c8nc9ccccc9[nH]8)cc[n]->27)c6)[...
#22
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(-c6cc[n]->2c(-c2cc(-c7nc8ccccc8[nH]7)ccn2)c6)[...
#23
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cc5nc(-c6ccnc(-c7cc(-c8[nH]c9ccccc9[n]->28)ccn7)c6)[n...
#24
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(-c6cc[n]->2c(-c2cc(-c7nc8ccccc8[nH]7)ccn2)c...
#25
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(-c6ccnc(-c7cc(-c8nc9ccccc9[nH]8)cc[n]->27)c...
#26
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]234(<-[cH]5c6nc(-c7ccnc(-c8cc(-c9nc%10ccccc%10[nH]9)ccn8)c7)[nH...
#27
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+]23(<-[cH]4cc5[nH]c(-c6ccnc(-c7cc(-c8nc9ccccc9[nH]8)ccn7)c6)nc5[c...
#28
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cc5nc(-c6ccnc(-c7cc(-c8nc9ccccc9[nH]8)cc[n]->27)c6)[n...
#29
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cc5nc(-c6cc[n]->2c(-c2cc(-c7nc8ccccc8[nH]7)ccn2)c6)[n...
#30
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[cH]3ccc4nc(-c5ccnc(-c6cc(-c7nc8ccccc8[nH]7)ccn6)c5)[nH]c4[...
#31
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[cH]3ccc4[nH]c(-c5ccnc(-c6cc(-c7nc8ccccc8[nH]7)ccn6)c5)nc4[...
#32
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[cH]3cc4nc(-c5ccnc(-c6cc(-c7nc8ccccc8[nH]7)ccn6)c5)[nH]c4c[...
#33
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5nc(-c6ccnc(-c7cc(-c8nc9cc[cH]->2[cH]->3c9[nH]8)c...
#34
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4c(-c5nc6cc[cH]->2[cH]->3c6[nH]5)ccnc4-c2cc(-c3nc4cccc...
#35
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5[nH]c(-c6ccnc(-c7cc(-c8nc9cc[cH]->2[cH]->3c9[nH]...
#36
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4c(-c5nc6ccccc6[nH]5)ccnc4-c4cc(-c5nc6cc[cH]->2[cH]->3...
#37
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5nc(-c6ccnc(-c7cc(-c8nc9c(cc[cH]->2[cH]->39)[nH]8...
#38
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2cccc3[nH]c(-c4ccnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)c4)nc32...
#39
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5[nH]c(-c6ccnc(-c7cc(-c8nc9c(cc[cH]->2[cH]->39)[n...
#40
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)cc4-c4nc5cc[cH]->2[c...
#41
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cnc(-c5cc(-c6nc7cc[cH]->2[cH]->3c7[nH]6)ccn5)cc4-c2nc...
#42
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4c(-c5nc6c(cc[cH]->2[cH]->36)[nH]5)ccnc4-c2cc(-c3nc4cc...
#43
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4c(-c5nc6ccccc6[nH]5)ccnc4-c4cc(-c5nc6c(cc[cH]->2[cH]-...
#44
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5nc(-c6ccnc(-c7cc(-c8nc9c[cH]->2[cH]->3cc9[nH]8)c...
#45
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2cccc3nc(-c4ccnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)c4)[nH]c32...
#46
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5[nH]c(-c6ccnc(-c7cc(-c8nc9c[cH]->2[cH]->3cc9[nH]...
#47
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)cc4-c4nc5c(cc[cH]->2...
#48
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cnc(-c5cc(-c6nc7c(cc[cH]->2[cH]->37)[nH]6)ccn5)cc4-c2...
#49
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(-c6ccnc(-c7cc(-c8nc9cc[cH]->2[cH]->3c9[nH]8)cc...
#50
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2ccc3nc(-c4ccnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)c4)[nH]c3c2...
#51
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4c(-c5nc6ccccc6[nH]5)ccnc4-c4cc(-c5nc6c[cH]->2[cH]->3c...
#52
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4c(-c5nc6c[cH]->2[cH]->3cc6[nH]5)ccnc4-c2cc(-c3nc4cccc...
#53
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(-c6ccnc(-c7cc(-c8nc9c(cc[cH]->2[cH]->39)[nH]8)...
#54
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(-c6ccnc(-c7cc(-c8nc9cc[cH]->2[cH]->3c9[nH]8...
#55
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cnc(-c5cc(-c6nc7c[cH]->2[cH]->3cc7[nH]6)ccn5)cc4-c2nc...
#56
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)cc4-c4nc5c[cH]->2[cH...
#57
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(-c6ccnc(-c7cc(-c8nc9c(cc[cH]->2[cH]->39)[nH...
#58
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(-c6ccnc(-c7cc(-c8nc9c[cH]->2[cH]->3cc9[nH]8)cc...
#59
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2cnc(-c3cc(-c4nc5ccccc5[nH]4)ccn3)cc2-c2nc3ccccc3[nH]2)<...
#60
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2ccc3[nH]c(-c4ccnc(-c5cc(-c6nc7ccccc7[nH]6)ccn5)c4)nc3c2...
#61
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(-c6ccnc(-c7cc(-c8nc9c[cH]->2[cH]->3cc9[nH]8...
#62
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2c(-c3nc4ccccc4[nH]3)ccnc2-c2cc(-c3nc4ccccc4[nH]3)ccn2)<...