Compare #311 — BiometalDB

{"N": 6}

Ground Truth

0.333

Single-lig

0.500

Sequential

+0.167

Δ Sequential

Single-ligand (v1) — 388 candidates

Pred: {"N": 3}

#2 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5cccnc5c5ncccc5c4[n]3->[Ru+2]3<-[n]4ccccc4-c4cc... 0.259

#2 c1cc[n]2->[Ru+2]<-[n]3ccccc3-c2c1 1.000

#2 c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31 0.240

#2 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5ccc[n]6->[Ru+2]789(<-[n]%10ccccc%10-c%10cccc[n... 0.260

#3 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5ccc[n]6->[Ru+2]78(<-[n]9ccccc9-c9cccc[n]->79)<... 0.162

#3 [Ru+2]<-[n]1ccccc1-c1ccccn1 0.000

#3 c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1 0.000

#3 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5ccc[n]6->[Ru+2]78(<-[n]9ccccc9-c9cccc[n]->79)(... 0.190

#4 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5cccnc5c5ncccc5c4[n]3->[Ru+2]34(<-[n]5ccccc5-c5... 0.071

#4 c1cc[n]2->[Ru+2]3<-[cH]4ccnc(-c2c1)[cH]->34 0.000

#4 c1ccc(-c2nc[cH]3->[Ru+]45(<-[cH]2[cH]->43)<-[n]2ccccc2-c2cccc[n]->52)nc1 0.000

#4 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5cccnc5c5c6ccc[n]5->[Ru+2]57(<-[n]8ccccc8-c8ccc... 0.180

#5 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccc[n]6->[Ru+2]7(<-[n]8ccccc8-c8cccc[n]->78)<-[n]... 0.064

#5 c1ccc(-c2ncc[cH]3->[Ru+2]<-[cH]23)nc1 0.000

#5 c1cc[n]2->[Ru+2]34(<-[cH]5ccnc(-c2c1)[cH]->35)<-[n]1ccccc1-c1cccc[n]->41 0.000

#5 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccc[n]6->[Ru+2]78(<-[n]9ccccc9-c9cccc[n]->79)(<-[... 0.180

#6 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5c(ccc[n]5->[Ru+2]<-[n]5ccccc5-c5ccccn5)c4... 0.000

#6 c1ccc(-c2c[cH]3->[Ru+2]<-[cH]3cn2)nc1 0.000

#6 C1=NC(c2ccccn2)=C[CH]2[CH]1[Ru+2]21<-[n]2ccccc2-c2cccc[n]->12 0.000

#6 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5cccnc5c5ncccc5c4[n]3->[Ru+2]34(<-[n]5ccccc5-c5... 0.070

#7 C1=C[CH]2[Ru+2][CH]2C=C1N(c1ccccc1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 0.000

#7 c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1 0.000

#7 c1cc[n]2->[Ru+2]34(<-[cH]5cnc(-c2c1)c[cH]->35)<-[n]1ccccc1-c1cccc[n]->41 0.000

#7 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5c(ccc[n]5->[Ru+2]56(<-[n]7ccccc7-c7cccc[n... 0.050

#8 c1cc[n]2->[Ru+2]3<-[cH]4ccnc(-c2c1)[cH]->34 0.000

#8 C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12 0.000

#8 c1ccc(-c2ncc[cH]3->[Ru+2]4(<-[cH]23)<-[n]2ccccc2-c2cccc[n]->42)nc1 0.000

#8 c1ccc(N(c2ccccc2)c2ccc3-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]456(<-[cH]3[cH]->4... 0.030

#9 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5ccc[n]6->[Ru+2](<-[n]7ccccc7-c7ccccn7)<-[n]3c4... 0.000

#9 c1cc[n]2->[Ru+2]3<-[cH]4cnc(-c2c1)c[cH]->34 0.000

#9 c1ccc(-c2c[cH]3->[Ru+2]4(<-[cH]3cn2)<-[n]2ccccc2-c2cccc[n]->42)nc1 0.000

#9 C1=C[CH]2[CH](C(N(c3ccccc3)c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)=C1)[Ru+2]213... 0.020

#10 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c6ccc[n](->[Ru+2]7<-[cH]3[cH]->72)c6c2ncccc2c5[nH]4... 0.000

#10 [Ru+2]<-[cH]1ccc(-c2ccccn2)nc1 0.000

#10 c1cc[n]2->[Ru+2]34(<-[cH]5cccnc5-c5ncc[cH]->3[cH]->45)<-[n]3ccccc3-c2c1 0.000

#10 C1=Nc2c(c3[nH]c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc3c3cccnc23)[CH]2[CH]1[Ru+2]213(... 0.020

#11 C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12 0.000

#11 c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c[cH]->34 0.000

#11 c1ccc(-c2cc[cH](->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)cn2)nc1 0.000

#11 C1=Nc2c(c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)[nH]c3c3cccnc23)[CH]2[CH]1[Ru+2]213(... 0.010

#12 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5cccnc5c5ncccc5c4[n]3->[Ru+2]3<-[cH]4cnc(-c5ccc... 0.000

#12 [Ru+2]<-[cH]1cccnc1-c1ccccn1 0.000

#12 c1cc[n]2->[Ru+2]34(<-[cH]5cccnc5-c5c[cH]->3[cH]->4cn5)<-[n]3ccccc3-c2c1 0.000

#12 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccc[n](->[Ru+2]67(<-[n]8ccccc8-c8cccc[n]->68)<-[n... 0.010

#13 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2c[cH]3->[Ru+2]45<-[cH]2[cH]->4... 0.000

#13 c1cnc2-c3ncc[cH]4->[Ru+2](<-[cH]2c1)<-[cH]34 0.000

#13 c1ccc(-c2nccc[cH]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1 0.000

#13 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2c[cH]3->[Ru+]456(<-[cH](c2)[cH... 0.010

#14 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)[cH]3->[Ru+2](<-[cH]23)<-[n... 0.000

#14 c1c[cH]2->[Ru+2]3<-[cH]4ccc(-c(n1)[cH]->32)nc4 0.000

#14 c1cc[n]2->[Ru+2]34(<-[cH]5ccc(-c6ncc[cH]->3[cH]->46)nc5)<-[n]3ccccc3-c2c1 0.000

#14 C1=C[CH]2[CH](C=C1N(c1ccccc1)c1ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc1)[Ru+2]213(<... 0.010

#15 [Ru+2]<-[cH]1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1N(c1ccccc1)c1ccccc1 0.000

#15 c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c(c2)n1)c[cH]->34 0.000

#15 c1ccc(-c2c[cH](->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)nc1 0.000

#15 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2cc[cH]3->[Ru+]456(<-[cH]2[cH]-... 0.010

#16 C1=C[CH]2[CH]3C=C1N(c1ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc1)C1=C[CH]4[CH](C=C1)[... 0.000

#16 c1cnc2-c3c[cH]4->[Ru+2](<-[cH]2c1)<-[cH]4cn3 0.000

#16 c1cc[n]2->[Ru+2]34(<-[cH]5ccc(-c6c[cH]->3[cH]->4cn6)nc5)<-[n]3ccccc3-c2c1 0.000

#16 C1=C(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)[CH]2[CH]3[CH]4[CH]1[Ru+... 0.010

#17 [Ru+2]<-[cH]1cccnc1-c1ccccn1 0.000

#17 c1c[cH]2->[Ru+2]3<-[cH]4ccnc(-c(c2)n1)[cH]->34 0.000

#17 c1cc[n]2->[Ru+2]34(<-[cH]5ccnc(-c6ncc[cH]->3[cH]->46)c5)<-[n]3ccccc3-c2c1 0.000

#17 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5cccnc5c5nc[cH]6->[Ru+2]789(<-[cH]6c5c4[n]->73)... 0.000

#18 C1=C[CH]2[CH]3C(=C1)N(c1ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc1)C1=C[CH]4[CH](C=C1... 0.000

#18 [Ru+2]<-[cH]1ccnc(-c2ccccn2)c1 0.000

#18 c1cc[n]2->[Ru+2]34(<-[cH]5ccnc(-c6c[cH]->3[cH]->4cn6)c5)<-[n]3ccccc3-c2c1 0.000

#18 c1ccc(N(c2ccccc2)c2ccc(-c3[nH]c4c5c6nc[cH]7->[Ru+2]89(<-[cH]57)(<-[n]5ccccc5-c5c... 0.000

#19 c1cnc2c(c1)c1nc(-c3ccc(N4c5ccc[cH](->[Ru+2]6<-[cH]7ccc4c[cH]->67)c5)cc3)[nH]c1c1... 0.000

#19 C1=C[CH]2[CH]3C(=C1)N(c1ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc1)C1=CC=C[CH]4[CH]1[... 0.000

#20 c1cnc2c(c1)c1nc(-c3ccc(N4c5cc[cH](->[Ru+2]6<-[cH]7ccc4c[cH]->67)cc5)cc3)[nH]c1c1... 0.000

#20 c1ccc(N2c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]456(<-[cH]7cccc2[cH]->47)(<... 0.000

#21 [Ru+2]<-[cH]1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1 0.000

#21 C1=C[CH]2[CH]3C(=C1)N(c1ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc1)C1=C[CH]4[CH](C=C1... 0.000

#22 [Ru+2]<-[cH]1cccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c1 0.000

#22 c1ccc(N2c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]456(<-[cH]7ccc2c[cH]->47)(<... 0.000

#23 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)c... 0.000

#23 C1=C[CH]2[CH]3C=C1N(c1ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc1)C1=C[CH]4[CH](C=C1)[... 0.000

#24 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2ccc[cH]3->[Ru+2](<-[cH]4ccc(-c... 0.000

#24 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccc[n]6->[Ru+2]789(<-[cH]%10cnc(c(c4[nH]3)[cH]->7... 0.000

#25 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2ccc[cH](->[Ru+2]3<-[cH]4cnc(-c... 0.000

#25 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6c(ccc[n]6->[Ru+2]678(<-[cH]9cccc2[cH]->69)(<-[n]2c... 0.000

#26 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncc[cH](->[Ru+2]6<-[cH]7ccnc(-c8ccccn8)[c... 0.000

#26 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5nc[cH]6->[Ru+2]78(<-[cH]6c5c4[nH]3)(<-[n]... 0.000

#27 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2ccc[cH]3->[Ru+2](<-[cH]4ccnc(-... 0.000

#27 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c6cccnc6c6c(ccc[n]6->[Ru+2]678(<-[cH]3[cH]->62)(<-[... 0.000

#28 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c([nH]3)c3cccnc3c3ncc[cH](->[Ru+2]5<-[cH]6cnc(-c7cc... 0.000

#28 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6c(ccc[n]6->[Ru+2]678(<-[cH]9ccc2c[cH]->69)(<-[n]2c... 0.000

#29 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)[cH](->[Ru+2]3<-[cH]4cnc(-c... 0.000

#29 c1ccc(N2c3ccc(-c4nc5c6ccc[n](->[Ru+2]789(<-[cH]%10cccc2[cH]->7%10)(<-[n]2ccccc2-... 0.000

#30 c1ccc(-c2cc[cH](->[Ru+2]3<-[cH]4ccnc(-c5ccccn5)[cH]->34)cn2)nc1 0.000

#30 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2ccc[cH]3->[Ru+2]45(<-[cH]23)(<... 0.000

#31 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2cc[cH]3->[Ru+2](<-[cH]4cccnc4-... 0.000

#31 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c([nH]3)c3ccc[n]5->[Ru+2]678(<-[cH]9cnc(c4[cH]->69)... 0.000

#32 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)[cH]3->[Ru+2]45(<-[cH]23)(<... 0.000

#33 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2cc[cH]3->[Ru+2]45(<-[cH]3c2)(<... 0.000

#34 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c6ccc[n](->[Ru+2]789(<-[cH]3[cH]->72)(<-[n]2ccccc2-... 0.000

#35 c1ccc(N2c3ccc(-c4nc5c6ccc[n](->[Ru+2]789(<-[cH]%10ccc2c[cH]->7%10)(<-[n]2ccccc2-... 0.000

#36 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c([nH]3)c3cccnc3c3nc[cH]5->[Ru+2]67(<-[cH]5c34)(<-[... 0.000

#37 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2c[cH]3->[Ru+2]4567(<-[cH]2[cH]... 0.000

#38 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2cccc[cH]2->[Ru+2]23(<-[n]4cccc... 0.000

#39 c1cc[cH]2->[Ru+2]345(<-[cH]6cccc(N(c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)c... 0.000

#40 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6nc[cH]7->[Ru+2]89(<-[cH]%10ccccc%102)(<-[cH]7c6c5[... 0.000

#41 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[cH]2->[Ru+2]23(<-[n]4cccc... 0.000

#42 c1ccc(N2c3cccc[cH]3->[Ru+2]345(<-[cH]6c(-c7nc8c9cccnc9c9ncccc9c8[nH]7)ccc2[cH]->... 0.000

#43 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c[cH]3->[Ru+2]345(<-[cH]6cccc2[cH]->... 0.000

#44 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncc[cH](->[Ru+2]67(<-[n]8ccccc8-c8cccc[n]... 0.000

#45 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c6cccnc6c6nc[cH]7->[Ru+2]89(<-[cH]2c3)(<-[cH]7c6c5[... 0.000

#46 c1ccc(N2c3ccc(-c4nc5c([nH]4)c4cccnc4c4nc[cH]6->[Ru+2]78(<-[cH]9ccccc92)(<-[cH]6c... 0.000

#47 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c([nH]3)c3cccnc3c3ncc[cH](->[Ru+2]56(<-[n]7ccccc7-c... 0.000

#48 c1cc[cH]2->[Ru+2]345(<-[cH]6ccc(N(c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc... 0.000

#49 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c6cccnc6c6ncc[cH](->[Ru+2]789(<-[cH]3[cH]->72)(<-[n... 0.000

#50 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6ncc[cH](->[Ru+2]789(<-[cH]%10cccc2[cH]->7%10)(<-[n... 0.000

#51 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c([nH]4)c4cccnc4c4nc[cH]6->[Ru+2]78(<-[cH]2c3)(<-[c... 0.000

#52 c1ccc(N2c3cc[cH]4->[Ru+2]56(<-[cH]7cc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)ccc7... 0.000

#53 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c([nH]3)c3c5ncc[cH]3->[Ru+2]367(<-[cH]8cnc5c4[cH]->... 0.000

#54 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c6cccnc6c6nc[cH]7->[Ru+2]89(<-[cH]3c2)(<-[cH]7c6c5[... 0.000

#55 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5c[cH]6->[Ru+2]789(<-[cH]%10cnc(c5nc6)c(c4[nH]3)[c... 0.000

#56 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c([nH]3)c3c5nc[cH]6->[Ru+2]78(<-[cH]9ccnc5c49)(<-[c... 0.000

#57 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)[cH](->[Ru+2]456(<-[cH]7cccc2[cH]->4... 0.000

#58 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c([nH]4)c4cccnc4c4ncc[cH](->[Ru+2]678(<-[cH]3[cH]->... 0.000

#59 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c([nH]3)c3c[cH]5->[Ru+2]678(<-[cH]9cnc(c3nc5)c4[cH]... 0.000

#60 c1ccc(N2c3ccc(-c4nc5c([nH]4)c4cccnc4c4ncc[cH](->[Ru+2]678(<-[cH]9cccc2[cH]->69)(... 0.000

#61 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6nc[cH]7->[Ru+2]89(<-[cH]%10cccc2c%10)(<-[cH]7c6c5[... 0.000

#62 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6nc[cH](->[Ru+2]789(<-[cH]%10cccc2[cH]->7%10)(<-[n]... 0.000

#63 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6ncc[cH](->[Ru+2]789(<-[cH]%10ccc2c[cH]->7%10)(<-[n... 0.000

#64 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c6cccnc6c6nc[cH](->[Ru+2]789(<-[cH]3[cH]->72)(<-[n]... 0.000

#65 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6nc[cH]7->[Ru+2]89(<-[cH]%10ccc2cc%10)(<-[cH]7c6c5[... 0.000

#66 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c([nH]4)c4cccnc4c4nc[cH]6->[Ru+2]78(<-[cH]3c2)(<-[c... 0.000

#67 c1ccc(N2c3ccc(-c4nc5c6c[cH](->[Ru+2]789(<-[cH]%10cccc2[cH]->7%10)(<-[n]2ccccc2-c... 0.000

#68 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)[cH](->[Ru+2]34(<-[n]5ccccc... 0.000

#69 c1cc[n]2->[Ru+2]345(<-[cH]6cccc(N(c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc... 0.000

#70 c1ccc(N(c2ccccc2)c2ccc3-c4nc5c6c[cH](->[Ru+2]789(<-[cH]3[cH]->72)(<-[n]2ccccc2-c... 0.000

#71 c1ccc(N2c3ccc[cH](->[Ru+2]456(<-[cH]7c(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)ccc... 0.000

#72 c1cc[n]2->[Ru+2]345(<-[cH]6ccc(N(c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc7... 0.000

#73 c1ccc(N2c3cc[cH](->[Ru+2]456(<-[cH]7c(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)ccc2... 0.000

#74 c1ccc(N2c3ccc(-c4nc5c([nH]4)c4cccnc4c4nc[cH]6->[Ru+2]78(<-[cH]9cccc2c9)(<-[cH]6c... 0.000

#75 c1ccc(N2c3ccc(-c4nc5c([nH]4)c4cccnc4c4nc[cH]6->[Ru+2]78(<-[cH]9ccc2cc9)(<-[cH]6c... 0.000

#76 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)[cH](->[Ru+2]456(<-[cH]7ccc2c[cH]->4... 0.000

#77 c1ccc(N2c3ccc(-c4nc5c6cccnc6c6nc[cH](->[Ru+2]789(<-[cH]%10ccc2c[cH]->7%10)(<-[n]... 0.000

#78 c1cc[n]2->[Ru+2]345(<-[cH]6cccc(N(c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc... 0.000

#79 c1ccc(N2c3ccc(-c4nc5c6c[cH](->[Ru+2]789(<-[cH]%10ccc2c[cH]->7%10)(<-[n]2ccccc2-c... 0.000

#80 c1ccc(N2c3ccc(-c4nc5c([nH]4)c4cccnc4c4ncc[cH](->[Ru+2]678(<-[cH]9ccc2c[cH]->69)(... 0.000

#81 c1cc[n]2->[Ru+2]345(<-[cH]6ccc(N(c7ccc(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)cc7... 0.000

#82 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5c[cH](->[Ru+2]67(<-[n]8ccccc8-c8cccc[n]->68)<-[n]... 0.000

#83 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2cc[cH](->[Ru+2]34(<-[n]5ccccc5... 0.000

#84 c1ccc(N(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c2ccc[cH](->[Ru+2]34(<-[n]5ccccc... 0.000

#85 c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5nc[cH](->[Ru+2]67(<-[n]8ccccc8-c8cccc[n]-... 0.000

Sequential multi-lig (v2) — 388 candidates

Pred: {"N": 12}