Compare #435 — BiometalDB

{"N": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 261 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.295

#3 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.058

#4 O=C(CCCCCCC(=O)Nc1cc2ccc[n](->[Ru+2])c2c2ncccc12)NO 0.004

#5 O=C1CCCCCCC(NO)=[O]->[Ru+2]<-[n]2cccc3cc(N1)c1cccnc1c32 0.002

#6 O=C1CCCCCCC(NO)=[O]->[Ru+2]<-[n]2cccc3c(N1)cc1cccnc1c32 0.001

#7 ONC1CCCCCCC(Nc2cc3cccnc3c3ncccc23)=[O]->[Ru+2]<-[O]=1 0.001

#8 O=C(CCCCCCC1Nc2cc3cccnc3c3c2ccc[n]3->[Ru+2]<-[O]=1)NO 0.000

#9 O=C(CCCCCCC1Nc2cc3ccc[n](->[Ru+2]<-[O]=1)c3c1ncccc21)NO 0.000

#10 O=C(CCCCCCC(=O)Nc1cc2cccnc2c2c1[CH]1[Ru+2][CH]1C=N2)NO 0.000

#11 O=C(CCCCCCC(=O)Nc1cc2c3nc[cH]4->[Ru+2](<-[cH]24)<-[n]2cccc1c32)NO 0.000

#12 O=C(CCCCCCC(=O)Nc1cc2ccc[n]3->[Ru+2]4<-[cH]5cnc(c1[cH]->45)c23)NO 0.000

#13 O=C(CCCCCCC(Nc1cc2cccnc2c2ncccc12)=[O]->[Ru+2])NO 0.000

#14 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[n]1cccc2cc(NC(=O)CCCCCCC(=O)NO)c3cccnc3c2... 0.000

#15 O=C(CCCCCCC(=O)Nc1cc2cccnc2c2nc[cH]3->[Ru+2]<-[cH]3c12)NO 0.000

#16 O=C(CCCCCCC(=O)[NH](O)->[Ru+2])Nc1cc2cccnc2c2ncccc12 0.000

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

#18 O=C(CCCCCCC(=O)Nc1c2c3nc[cH]4->[Ru+2](<-[cH]1c1cccnc31)<-[cH]24)NO 0.000

#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc4c5ncccc5c(NC(=O)CCCCCCC(=O)NO)cc4[cH]->23)... 0.000

#20 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc4c5ncccc5cc(NC(=O)CCCCCCC(=O)NO)c4[cH]->23)... 0.000

#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc4c5ncccc5cc(NC(=O)CCCCCCC(=O)NO)c43)<-[cH]... 0.000

#22 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccnc4c5ncccc5c(NC(=O)CCCCCCC(=O)NO)cc43)<-[cH]... 0.000

#23 O=C(CCCCCCC(=O)Nc1cc2c3nc[cH]4->[Ru+2](<-[cH]5ccnc3c15)<-[cH]24)NO 0.000

#24 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cnc4c(c3)c(NC(=O)CCCCCCC(=O)NO)cc3cccnc34)<-[c... 0.000

#25 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cnc4c(cc(NC(=O)CCCCCCC(=O)NO)c5cccnc54)c3)<-[c... 0.000

#26 O=C(CCCCCCC(=O)Nc1cc2c3nc[cH]4->[Ru+2](<-[cH]5cnc3c1c5)<-[cH]24)NO 0.000

#27 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc3c4ncccc4cc(NC(=O)CCCCCCC(=O)NO)c3[cH]->12 0.000

#28 O=C(CCCCCCC(=O)Nc1cc2cccnc2c2nc[cH](->[Ru+2])cc12)NO 0.000

#29 O=C(CCCCCCC(=O)Nc1c2cccnc2c2ncccc2[cH]1->[Ru+2])NO 0.000

#30 O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncc[cH](->[Ru+2])c12)NO 0.000

Sequential multi-lig (v2) — 261 candidates

Pred: {"N": 2}