Compare #301 — BiometalDB

{"O": 1, "N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 367 candidates

Pred: {"N": 2}

#2 [O-]c1ccc2ccccc2c1C=[N]1->[Ru+2]<-[n]2cc1cc1ccccc12 0.000

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.350

#2 CC(C)[c]12->[Ru+]345678([O]c9ccc%10ccccc%10c9C=[N]->3c3cc9ccccc9[n]->4c3)<-[cH](... 0.320

#3 C(=Nc1cnc2ccccc2c1)c1c2[O][Ru+]<-[cH]3cccc(cc2)c13 0.000

#3 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.110

#3 CC(C)[c]12->[Ru+]34567([O]c8ccc9ccccc9c8C=[N]->3c3cnc8ccccc8c3)<-[cH]([cH]->41)[... 0.180

#4 [O-]c1cc[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->5[c]->62c1C=Nc1cnc2ccccc2c1)[cH]->7... 0.000

#4 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000

#4 CC(C)[c]12->[Ru+]34567([O]c8ccc9ccccc9c8C=Nc8cc9ccccc9[n]->3c8)<-[cH]([cH]->41)[... 0.010

#5 [Ru+2]<-[O-]c1ccc2ccccc2c1C=Nc1cnc2ccccc2c1 0.000

#5 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000

#5 CC(C)[c]12->[Ru+]34567([O]c8ccc9ccccc9c8C=Nc8cnc9ccccc9[cH]->38)<-[cH]([cH]->41)... 0.010

#6 C(=Nc1cnc2ccccc2c1)c1c2[O][Ru+]<-[cH]3ccc(cc2)c1c3 0.000

#6 CC(C)[c]12->[Ru+]3456([O]c7ccc8ccccc8c7C=Nc7cnc8ccccc8c7)<-[cH]([cH]->31)[c]->4(... 0.000

#7 C1=Nc2cnc3cc[cH](->[Ru+][O]c4ccc5ccccc5c41)cc3c2 0.000

#7 CC(C)[c]12->[Ru+]34567([O]c8ccc9ccc[cH]->3c9c8C=Nc3cnc8ccccc8c3)<-[cH]([cH]->41)... 0.000

#8 [O-]c1ccc2ccccc2c1C=Nc1cnc2c(c1)C=C[CH]1[Ru+2][CH]21 0.000

#8 CC(C)[c]12->[Ru+]34567([O]c8ccc9c(ccc[cH]->39)c8C=Nc3cnc8ccccc8c3)<-[cH]([cH]->4... 0.000

#9 [O-]c1ccc2c[cH]3->[Ru+2]<-[cH]3cc2c1C=Nc1cnc2ccccc2c1 0.000

#9 CC(C)[c]12->[Ru+]34567([O]c8c[cH]->3c3ccccc3c8C=Nc3cnc8ccccc8c3)<-[cH]([cH]->41)... 0.000

#10 [O-]c1ccc2c(c1C=Nc1cnc3ccccc3c1)[CH]1[CH]3[CH]4[CH]2[Ru+2]143 0.000

#10 CC(C)[c]12->[Ru+]34567([O]c8ccc9ccccc9c8C=Nc8cnc9ccc[cH]->3c9c8)<-[cH]([cH]->41)... 0.000

#11 [O-]c1ccc2c[cH]3->[Ru+]4<-[cH](c2c1C=Nc1cnc2ccccc2c1)[cH]->43 0.000

#11 CC(C)[c]12->[Ru+]34567([O]c8ccc9ccccc9c8C=Nc8cnc9c(ccc[cH]->39)c8)<-[cH]([cH]->4... 0.000

#12 [O-]c1ccc2cc[cH]3->[Ru+2]4<-[cH]5c(N=Cc1c2[cH]->43)cnc1ccccc15 0.000

#12 CC(C)[c]12->[Ru+]34567([O]c8ccc9c[cH]->3ccc9c8C=Nc3cnc8ccccc8c3)<-[cH]([cH]->41)... 0.000

#13 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3c(N=Cc4c([O-])ccc5ccccc45)cnc4ccccc43)<-[cH]12 0.000

#13 CC(C)[c]12->[Ru+]34567([O]c8ccc9cc[cH]->3cc9c8C=Nc3cnc8ccccc8c3)<-[cH]([cH]->41)... 0.000

#14 [O-]c1c(C=Nc2cnc3ccccc3c2)c2c3cc[cH]4->[Ru+2](<-[cH]1c3)<-[cH]24 0.000

#14 CC(C)[c]12->[Ru+]34567([O]c8ccc9ccccc9c8C=Nc8cnc9cc[cH]->3cc9c8)<-[cH]([cH]->41)... 0.000

#15 [O-]c1c2C=Nc3cnc4c(cc[cH]5->[Ru+2](<-[cH]1cc1ccccc21)<-[cH]45)c3 0.000

#15 CC(C)[c]12->[Ru+]34567([O]c8ccc9ccccc9c8C=Nc8cnc9c[cH]->3ccc9c8)<-[cH]([cH]->41)... 0.000

#16 [O-]c1ccc2ccccc2c1C=Nc1cnc2c[cH]3->[Ru+2]4<-[cH]1c2c[cH]->43 0.000

#16 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH](c1c([O-])c... 0.000

#17 [O-]c1c2C=Nc3cnc4cc[cH]5->[Ru+2](<-[cH]1cc1ccccc21)<-[cH]5c4c3 0.000

#17 CC(C)[c]12->[Ru+2]34567(<-[O-]c8ccc9ccccc9c8C=[N]->3c3cnc8ccccc8c3)<-[cH]([cH]->... 0.000

#18 [O-]c1c2C=Nc3cnc4cc[cH](->[Ru+2]5<-[cH]1[cH]->5c1ccccc21)cc4c3 0.000

#18 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[N](=Cc1c([O-... 0.000

#19 [O-]c1c[cH]2->[Ru+2]3<-[cH]4ccc5ncc(N=Cc1c1ccccc12)cc5[cH]->34 0.000

#19 CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[N](=Cc1c([O-]... 0.000

#20 [O-]c1c[cH]2->[Ru+2]3<-[cH]4ccc2c(c1C=Nc1cnc2ccccc2c1)[cH]->34 0.000

#20 CC(C)[c]12->[Ru+2]3456(<-[O-]c7ccc8ccccc8c7C=Nc7cnc8ccccc8c7)<-[cH]([cH]->31)[c]... 0.000

#21 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc4cc(N=Cc5c([O-])ccc6ccccc56)cnc4[cH]->23)c1 0.000

#21 CC(C)[c]12->[Ru+]345678(<-[cH]9cc%10cc(N=Cc%11c([O-])ccc%12ccccc%11%12)cnc%10[cH... 0.000

#22 [O-]c1c(C=Nc2cnc3ccccc3c2)c2c[cH]3->[Ru+2]4<-[cH]1cc2c[cH]->43 0.000

#22 CC(C)[c]12->[Ru+]345678(<-[cH]9cc%10ccc([O-])c(C=Nc%11cnc%12ccccc%12c%11)c%10[cH... 0.000

#23 [O-]c1ccc2cc[cH]3->[Ru+2]4<-[cH]5ccc6cc(N=Cc1c2c3)cnc6[cH]->45 0.000

#23 CC(C)[c]12->[Ru+]345678(<-[cH]9cc%10c(C=Nc%11cnc%12ccccc%12c%11)c([O-])ccc%10[cH... 0.000

#24 [O-]c1ccc2c3ccc[cH]2->[Ru+2]2<-[cH]4cc5cc(N=Cc13)cnc5c[cH]->24 0.000

#24 CC(C)[c]12->[Ru+]345678(<-[cH]9cc%10ncc(N=Cc%11c([O-])ccc%12ccccc%11%12)cc%10[cH... 0.000

#25 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc4c(C=Nc5cnc6ccccc6c5)c([O-])ccc4c3)<-[cH]12 0.000

#25 CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[n]1cc(N=Cc2c(... 0.000

#26 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc3ccc([O-])c(C=Nc4cnc5ccccc5c4)c3[cH]->12 0.000

#26 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[c]12cccc[c]-... 0.000

#27 [O-]c1ccc2c(ccc[cH]2->[Ru+2])c1C=Nc1cnc2ccccc2c1 0.000

#27 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Cc2ccc([... 0.000

#28 [O-]c1ccc2c[cH]3->[Ru+2]4<-[cH]5cccc6ncc(N=Cc1c2c[cH]->43)cc65 0.000

#28 CC(C)[c]12->[Ru+2]3456789(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Cc2cc(... 0.000

#29 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc4ncc(N=Cc5c([O-])ccc6ccccc56)cc4c3)<-[cH]12 0.000

#29 CC(C)[c]12->[Ru+2]3456789(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1c2ccc([O... 0.000

#30 CC(C)[c]12->[Ru+2]3456789(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Cc2ncc... 0.000

#31 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Cc2c(ccc... 0.000

#32 CC(C)[c]12->[Ru+2]345678(<-[cH]9c([O-])c(C=Nc%10cc%11ccccc%11[n]->3c%10)c3ccccc3... 0.000

#33 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=c2ccc([O... 0.000

#34 CC(C)[c]12->[Ru+2]3456789(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Cc2c(c... 0.000

#35 CC(C)[c]12->[Ru+2]3456789(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Cc2ncc... 0.000

#36 CC(C)[c]12->[Ru+2]3456789(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1c2cc(N=C... 0.000

#37 CC(C)[c]12->[Ru+2]3456(<-[cH]7c(N=Cc8c([O-])ccc9ccccc89)cnc8ccccc87)<-[cH]([cH]-... 0.000

#38 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Cc2ncc(N... 0.000

#39 CC(C)[c]12->[Ru+2]34567(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)[CH]1C=Cc2cc(N=... 0.000

#40 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10ccc([O-])c(C=Nc%11cc%12ccccc%12[n]->3c%11)... 0.000

#41 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10c(cc(N=Cc%11c([O-])ccc%12ccccc%11%12)c[n]-... 0.000

#42 CC(C)[c]12->[Ru+2]34567(<-[cH]8c([O-])c(C=Nc9cnc%10ccccc%10c9)c9ccccc9[cH]->38)<... 0.000

#43 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10c(C=Nc%11cc%12ccccc%12[n]->3c%11)c([O-])cc... 0.000

#44 CC(C)[c]12->[Ru+2]3456(<-[cH]7cc8ccccc8c(C=Nc8cnc9ccccc9c8)c7[O-])<-[cH]([cH]->3... 0.000

#45 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc%10cc(N=Cc%11c([O-])ccc%12ccccc%11%12)c[n]->3c... 0.000

#46 CC(C)[c]12->[Ru+2]3456(<-[cH]7cccc8ccc([O-])c(C=Nc9cnc%10ccccc%10c9)c87)<-[cH]([... 0.000

#47 CC(C)[c]12->[Ru+2]3456(<-[cH]7cc([O-])c(C=Nc8cnc9ccccc9c8)c8ccccc87)<-[cH]([cH]-... 0.000

#48 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc%10ccc([O-])c(C=Nc%11cc%12ccccc%12[n]->3c%11)c... 0.000

#49 CC(C)[c]12->[Ru+2]3456789%10%11(<-[cH]%12[cH]->3[cH]->4[c]->53c(C=Nc4cnc5ccccc5c... 0.000

#50 CC(C)[c]12->[Ru+2]3456(<-[cH]7cccc8c(C=Nc9cnc%10ccccc%10c9)c([O-])ccc87)<-[cH]([... 0.000

#51 CC(C)[c]12->[Ru+2]345678(<-[cH]9c(N=Cc%10c([O-])[cH]->3[cH]->4c3ccccc%103)cnc3cc... 0.000

#52 CC(C)[c]12->[Ru+2]3456(<-[cH]7cccc8cc(N=Cc9c([O-])ccc%10ccccc9%10)cnc87)<-[cH]([... 0.000

#53 CC(C)[c]12->[Ru+2]34567(<-[cH]8ccc9ccc([O-])c(C=Nc%10cnc%11ccccc%11c%10)c9[cH]->... 0.000

#54 CC(C)[c]12->[Ru+2]34567(<-[cH]8ccc9c(C=Nc%10cnc%11ccccc%11c%10)c([O-])ccc9[cH]->... 0.000

#55 CC(C)[c]12->[Ru+2]3456(<-[cH]7cccc8ncc(N=Cc9c([O-])ccc%10ccccc9%10)cc87)<-[cH]([... 0.000

#56 CC(C)[c]12->[Ru+2]34567(<-[cH]8ccc9cc(N=Cc%10c([O-])ccc%11ccccc%10%11)cnc9[cH]->... 0.000

#57 CC(C)[c]12->[Ru+2]3456(<-[cH]7ccc8c(C=Nc9cnc%10ccccc%10c9)c([O-])ccc8c7)<-[cH]([... 0.000

#58 CC(C)[c]12->[Ru+2]3456(<-[cH]7ccc8ccc([O-])c(C=Nc9cnc%10ccccc%10c9)c8c7)<-[cH]([... 0.000

#59 CC(C)[c]12->[Ru+2]34567(<-[cH]8ccc9ncc(N=Cc%10c([O-])ccc%11ccccc%10%11)cc9[cH]->... 0.000

#60 CC(C)[c]12->[Ru+2]34567(<-[cH]8cc9ccc([O-])c(C=Nc%10cnc%11ccccc%11c%10)c9c[cH]->... 0.000

#61 CC(C)[c]12->[Ru+2]345678(<-[cH]9c(N=Cc%10c([O-])ccc%11ccccc%10%11)cnc%10c9cc[cH]... 0.000

#62 CC(C)[c]12->[Ru+2]34567(<-[cH]8cc9cc(N=Cc%10c([O-])ccc%11ccccc%10%11)cnc9c[cH]->... 0.000

#63 CC(C)[c]12->[Ru+2]345678(<-[cH]9c(N=Cc%10c([O-])ccc%11cc[cH]->3[cH]->4c%10%11)cn... 0.000

#64 CC(C)[c]12->[Ru+2]3456(<-[cH]7ccc8ncc(N=Cc9c([O-])ccc%10ccccc9%10)cc8c7)<-[cH]([... 0.000

#65 CC(C)[c]12->[Ru+2]3456(<-[cH]7ccc8cc(N=Cc9c([O-])ccc%10ccccc9%10)cnc8c7)<-[cH]([... 0.000

#66 CC(C)[c]12->[Ru+2]345678(<-[cH]9c(N=Cc%10c([O-])ccc%11c%10cc[cH]->3[cH]->4%11)cn... 0.000

#67 CC(C)[c]12->[Ru+2]345678(<-[cH]9c(N=Cc%10c([O-])ccc%11ccccc%10%11)cnc%10c[cH]->3... 0.000

#68 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10cc(N=Cc%11c([O-])[cH]->3[cH]->4c3ccccc%11... 0.000

#69 CC(C)[c]12->[Ru+2]345678(<-[cH]9c(N=Cc%10c([O-])ccc%11c[cH]->3[cH]->4cc%10%11)cn... 0.000

#70 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10c9c(C=Nc9cnc%11ccccc%11c9)c([O-])[cH]->3[... 0.000

#71 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc%10c(cc[cH]->3[cH]->4%10)c(C=Nc3cnc4ccccc4c3)c... 0.000

#72 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc%10cc[cH]->3[cH]->4c%10c(C=Nc3cnc4ccccc4c3)c9[... 0.000

#73 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10c(C=Nc%11cnc%12ccccc%12c%11)c([O-])[cH]->3... 0.000

#74 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc%10ccccc%10c(C=Nc%10cnc%11c(cc[cH]->3[cH]->4%1... 0.000

#75 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10ncc(N=Cc%11c([O-])[cH]->3[cH]->4c3ccccc%1... 0.000

#76 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10c(c9)c(C=Nc9cnc%11ccccc%11c9)c([O-])[cH]->... 0.000

#77 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc([O-])c(C=Nc%10cnc%11ccccc%11c%10)c%10c9cc[cH]... 0.000

#78 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10cc(N=Cc%11c([O-])ccc%12cc[cH]->3[cH]->4c%... 0.000

#79 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc%10ccccc%10c(C=Nc%10cnc%11cc[cH]->3[cH]->4c%11... 0.000

#80 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc%10c[cH]->3[cH]->4cc%10c(C=Nc3cnc4ccccc4c3)c9[... 0.000

#81 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc([O-])c(C=Nc%10cnc%11c(cc[cH]->3[cH]->4%11)c%1... 0.000

#82 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc%10ccccc%10c(C=Nc%10cnc%11c[cH]->3[cH]->4cc%11... 0.000

#83 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10ccc([O-])c(C=Nc%11cnc%12c(cc[cH]->3[cH]->... 0.000

#84 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10cc(N=Cc%11c([O-])[cH]->3[cH]->4c3ccccc%113... 0.000

#85 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10cc(N=Cc%11c([O-])ccc%12c%11cc[cH]->3[cH]-... 0.000

#86 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10ncc(N=Cc%11c([O-])[cH]->3[cH]->4c3ccccc%11... 0.000

#87 CC(C)[c]12->[Ru+2]3456789(<-[cH]%10c%11ccc([O-])c(C=Nc%12cnc%13ccccc%13c%12)c%11... 0.000

#88 CC(C)[c]12->[Ru+2]3456789(<-[cH]%10c%11cc(N=Cc%12c([O-])ccc%13ccccc%12%13)cnc%11... 0.000

#89 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc([O-])c(C=Nc%10cnc%11ccccc%11c%10)c%10c[cH]->3... 0.000

#90 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc([O-])c(C=Nc%10cnc%11cc[cH]->3[cH]->4c%11c%10)... 0.000

#91 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10ccc([O-])c(C=Nc%11cnc%12cc[cH]->3[cH]->4c... 0.000

#92 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10ncc(N=Cc%11c([O-])ccc%12cc[cH]->3[cH]->4c... 0.000

#93 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10c(C=Nc%11cnc%12c(cc[cH]->3[cH]->4%12)c%11... 0.000

#94 CC(C)[c]12->[Ru+2]345678(<-[cH]9cc([O-])c(C=Nc%10cnc%11c[cH]->3[cH]->4cc%11c%10)... 0.000

#95 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10ccc([O-])c(C=Nc%11cnc%12c[cH]->3[cH]->4cc... 0.000

#96 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10cc(N=Cc%11c([O-])ccc%12c[cH]->3[cH]->4cc%... 0.000

#97 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10ncc(N=Cc%11c([O-])ccc%12c%11cc[cH]->3[cH]... 0.000

#98 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10c(C=Nc%11cnc%12cc[cH]->3[cH]->4c%12c%11)c... 0.000

#99 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10c(C=Nc%11cnc%12c(cc[cH]->3[cH]->4%12)c%11)... 0.000

#100 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10c(C=Nc%11cnc%12c[cH]->3[cH]->4cc%12c%11)c... 0.000

#101 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10ccc([O-])c(C=Nc%11cnc%12c(cc[cH]->3[cH]->4... 0.000

#102 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10ncc(N=Cc%11c([O-])ccc%12cc[cH]->3[cH]->4c%... 0.000

#103 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10cc(N=Cc%11c([O-])ccc%12cc[cH]->3[cH]->4c%1... 0.000

#104 CC(C)[c]12->[Ru+2]345678(<-[cH]9cccc%10ncc(N=Cc%11c([O-])ccc%12c[cH]->3[cH]->4cc... 0.000

#105 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10c(C=Nc%11cnc%12cc[cH]->3[cH]->4c%12c%11)c(... 0.000

#106 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10ncc(N=Cc%11c([O-])ccc%12c%11cc[cH]->3[cH]-... 0.000

#107 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10cc(N=Cc%11c([O-])ccc%12c%11cc[cH]->3[cH]->... 0.000

#108 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10ccc([O-])c(C=Nc%11cnc%12cc[cH]->3[cH]->4c%... 0.000

#109 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10c(C=Nc%11cnc%12c[cH]->3[cH]->4cc%12c%11)c(... 0.000

#110 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10ccc([O-])c(C=Nc%11cnc%12c[cH]->3[cH]->4cc%... 0.000

#111 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10ncc(N=Cc%11c([O-])ccc%12c[cH]->3[cH]->4cc%... 0.000

#112 CC(C)[c]12->[Ru+2]345678(<-[cH]9ccc%10cc(N=Cc%11c([O-])ccc%12c[cH]->3[cH]->4cc%1... 0.000

Sequential multi-lig (v2) — 367 candidates

Pred: {"O": 1, "N": 1}