Compare #201 — BiometalDB

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

Ground Truth

0.500

Single-lig

0.000

Sequential

-0.500

Δ Sequential

Single-ligand (v1) — 415 candidates

Pred: {"O": 2, "S": 1}

#2 c1ccc(-c2nc3ccccc3s2)c([O][Ru+]2[O]c3ccccc3-c3nc4ccccc4[s]->23)c1 0.017

#2 c1ccc2-c3sc4ccccc4[n]3->[Ru+2][O]c2c1 0.990

#2 c1ccc2-c3sc4ccccc4[n]3->[Ru+]3([O]c2c1)[O]c1ccccc1-c1sc2ccccc2[n]->31 0.820

#2 c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+]23([O]c4ccccc4-c4sc5ccccc5[n]->24)[O]c2ccccc... 0.930

#3 c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]4<-[cH]2[cH]->43)cc1 0.000

#3 [Ru+2][O]c1ccccc1-c1nc2ccccc2s1 0.010

#3 c1ccc(-c2nc3ccccc3s2)c([O][Ru+]2[O]c3ccccc3-c3sc4ccccc4[n]->23)c1 0.160

#3 C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=CC=C[CH]4[CH]1[Ru+]24315([O]c2ccccc2-c2sc3cccc... 0.050

#4 [O-]c1ccccc1-c1nc2c[cH]3->[Ru+2]4<-[cH](c2s1)[cH]->43 0.000

#4 c1ccc2sc(-c3c4[O][Ru+2]<-[cH]3ccc4)nc2c1 0.000

#4 [O-]C1=C(c2nc3ccccc3s2)[CH]2[CH]3[CH]4[CH]1[Ru+2]2431[O]c2ccccc2-c2sc3ccccc3[n]-... 0.000

#4 C1=C(P(c2ccccc2)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Ru+]24315([O]c2ccccc2-c2sc3ccccc3[... 0.010

#5 [O-]c1ccccc1-c1sc2c[cH]3->[Ru+3]4<-[cH]3cc2[n]->41 0.000

#5 c1ccc2-c3nc4c(ccc[cH]4->[Ru+2][O]c2c1)s3 0.000

#5 [O-]c1ccccc1-c1sc2ccccc2[n]1->[Ru+2]1[O]c2ccccc2-c2sc3ccccc3[n]->12 0.000

#5 C1=C[CH]2[CH](C(P(c3ccccc3)c3ccccc3)=C1)[Ru+]213([O]c2ccccc2-c2sc4ccccc4[n]->12)... 0.010

#6 c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+3]45<-[cH]2[cH]->4[cH]->53)cc1 0.000

#6 c1ccc2sc(-c3cc[cH]4->[Ru+2][O]c3c4)nc2c1 0.000

#6 c1ccc2-c3sc4ccccc4[n]3->[Ru+]3([O]c2c1)[O]c1ccc[cH]->3c1-c1nc2ccccc2s1 0.000

#6 c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+]45([O]c6ccccc6-c6sc7ccccc7[n]->46)([O]c4ccccc4... 0.000

#7 [Ru+3]<-[cH]1ccccc1P(c1ccccc1)c1ccccc1 0.000

#7 [O-]c1c(-c2nc3ccccc3s2)c[cH]2->[Ru+2]3<-[cH]1[cH]->32 0.000

#7 [O-]C1=C2C=C[CH]3[CH]1[Ru+2]314([O]c3ccccc3-c3sc5ccccc5[n]->13)[CH]1C=Cc3sc2nc3[... 0.000

#7 c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+]4567([O]c8ccccc8-c8sc9ccccc9[n]->48)([O]c4ccccc4... 0.000

#8 [O-]c1c[cH](->[Ru+3])ccc1-c1nc2ccccc2s1 0.000

#8 c1ccc2-c3nc4ccc[cH](->[Ru+2][O]c2c1)c4s3 0.000

#8 c1ccc2-c3nc4c(ccc[cH]4->[Ru+]4([O]c2c1)[O]c1ccccc1-c1sc2ccccc2[n]->41)s3 0.000

#8 c1ccc(P2c3cccc[cH]3->[Ru+]345([O]c6ccccc6-c6sc7ccccc7[n]->36)([O]c3ccccc3-c3sc6c... 0.000

#9 c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+3]<-[cH]3c2)cc1 0.000

#9 c1ccc2sc(-c3c[cH]4->[Ru+2][O]c3cc4)nc2c1 0.000

#9 c1ccc2-c3sc4ccccc4[n]3->[Ru+2]([O]c2c1)<-[O-]c1ccccc1-c1nc2ccccc2s1 0.000

#9 C1=C[CH]2[CH](C=C1P(c1ccccc1)c1ccccc1)[Ru+]213([O]c2ccccc2-c2sc4ccccc4[n]->12)[O... 0.000

#10 [O-]c1ccccc1-c1nc2c(s1)[cH]1->[Ru+3]34<-[cH]2[cH]->3[cH]->41 0.000

#10 c1ccc2-c3nc4cc[cH](->[Ru+2][O]c2c1)cc4s3 0.000

#10 [O-]c1ccccc1-c1nc2c(s1)[CH]1[CH]3[CH]4[CH]2[Ru+2]1432[O]c1ccccc1-c1sc3ccccc3[n]-... 0.000

#10 C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+]42315([O]c2ccccc2-c2sc3cc... 0.000

#11 [O-]c1ccccc1-c1nc2c(s1)[CH]1[CH]3[CH]4[CH]2[Ru+3]143 0.000

#11 c1ccc2-c3nc4c[cH](->[Ru+2][O]c2c1)ccc4s3 0.000

#11 [O-]C1=C2C=C[CH]3[CH]1[Ru+2]314([O]c3ccccc3-c3sc5ccccc5[n]->13)[CH]1C=Cc3nc2sc3[... 0.000

#11 c1ccc(P2c3cc[cH]4->[Ru+]56([O]c7ccccc7-c7sc8ccccc8[n]->57)([O]c5ccccc5-c5sc7cccc... 0.000

#12 [O-]C1=C2C=C[CH]3[CH]1[Ru+3]31[CH]3C=Cc4sc2nc4[CH]31 0.000

#12 [O-]c1ccccc1-c1nc2c(c[cH]3->[Ru+2]4<-[cH]2[cH]->43)s1 0.000

#12 c1ccc2-c3nc4ccc[cH](->[Ru+]5([O]c2c1)[O]c1ccccc1-c1sc2ccccc2[n]->51)c4s3 0.000

#12 c1ccc(P(c2ccccc2)c2cccc[cH]2->[Ru+]23([O]c4ccccc4-c4sc5ccccc5[n]->24)[O]c2ccccc2... 0.000

#13 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4cccc5nc(-c1[cH]->32)sc54 0.000

#13 [O-]c1c[cH]2->[Ru+2]3<-[cH](c1-c1nc4ccccc4s1)[cH]->32 0.000

#13 [O-]C1=C2c3nc4c(s3)C=C[CH]3[CH]4[Ru+2]345([O]c3ccccc3-c3sc6ccccc6[n]->43)[CH](C=... 0.000

#13 c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru]456([O]c7ccccc7-c7sc8ccccc8[n]->47)([O]c4ccccc4-... 0.000

#14 [O-]c1c2-c3nc4ccc[cH](->[Ru+3]5<-[cH](cc2)[cH]->51)c4s3 0.000

#14 [O-]c1ccccc1-c1sc2ccccc2[n]1->[Ru+3] 0.000

#14 [O-]C1=C2c3nc4c(s3)[CH]3[CH](C=C4)[Ru+2]345([O]c3ccccc3-c3sc6ccccc6[n]->43)[CH](... 0.000

#14 c1ccc(P2c3cc[cH](->[Ru+]456([O]c7ccccc7-c7sc8ccccc8[n]->47)([O]c4ccccc4-c4sc7ccc... 0.000

#15 C1=C[CH]2[Ru+3][CH]2C=C1P(c1ccccc1)c1ccccc1 0.000

#15 [O-]c1ccccc1-c1nc2c[cH]3->[Ru+2]4<-[cH](c2s1)[cH]->43 0.000

#15 [O-]c1c2-c3sc4ccccc4[n]3->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH](cc2)[cH... 0.000

#15 c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+]45([O]c6ccccc6-c6sc7ccccc7[n]->46)([O]c4ccccc4-... 0.000

#16 [O-]C1=C2c3nc4c(s3)[CH]3[CH](C=C4)[Ru+3]34[CH](C=C1)[CH]24 0.000

#16 [Ru+3]<-[O-]c1ccccc1-c1nc2ccccc2s1 0.000

#16 [O-]c1cc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]2c1-c1sc2ccccc2[n]-... 0.000

#16 c1ccc(P2c3ccc[cH](->[Ru+]456([O]c7ccccc7-c7sc8ccccc8[n]->47)([O]c4ccccc4-c4sc7cc... 0.000

#17 [O-]c1c(-c2nc3ccccc3s2)cc[cH]2->[Ru+3](<-[cH]3ccccc3P(c3ccccc3)c3ccccc3)<-[cH]12 0.000

#17 [O-]c1ccccc1-c1nc2ccccc2[s]1->[Ru+3] 0.000

#17 [O-]c1ccccc1-c1nc2ccccc2[s]1->[Ru+2]1[O]c2ccccc2-c2sc3ccccc3[n]->12 0.000

#17 C1=C[CH]2[CH]3C=C1P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+]23415([O]c2ccccc2-c2sc3cccc... 0.000

#18 [O-]c1ccccc1-c1nc2cc[cH]3->[Ru+3](<-[cH]4ccc(P(c5ccccc5)c5ccccc5)cc4)<-[cH]3c2s1 0.000

#18 [O-]c1cc[cH]2->[Ru+3]3<-[cH]2c1-c1sc2ccccc2[n]->31 0.000

#18 [O-]C1=C(c2nc3ccccc3s2)C=C[CH]2[CH]1[Ru+2]21[O]c2ccccc2-c2sc3ccccc3[n]->12 0.000

#18 c1ccc(P2c3cc[cH](->[Ru+]456([O]c7ccccc7-c7sc8ccccc8[n]->47)([O]c4ccccc4-c4sc7ccc... 0.000

#19 [O-]c1c[cH]2->[Ru+3]3<-[cH]4ccc5nc(-c1cc2)sc5[cH]->34 0.000

#19 [O-]c1ccccc1-c1sc2c3cc[cH]4->[Ru+3](<-[cH]24)<-[n]13 0.000

#19 c1ccc2-c3sc4ccccc4[n]3->[Ru+]3([O]c4cc[cH]->3cc4-c3nc4ccccc4s3)[O]c2c1 0.000

#19 c1ccc(P2c3ccc[cH](->[Ru+]456([O]c7ccccc7-c7sc8ccccc8[n]->47)([O]c4ccccc4-c4sc7cc... 0.000

#20 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4cc5nc(-c1c2)sc5c[cH]->34 0.000

#20 [O-]c1c2-c3sc4ccccc4[n]3->[Ru+3]3<-[cH](cc2)[cH]->31 0.000

#20 [O-]C1=C(c2nc3ccccc3s2)[CH]2[CH](C=C1)[Ru+2]21[O]c2ccccc2-c2sc3ccccc3[n]->12 0.000

#20 c1ccc(P(c2ccccc2)c2c[cH]3->[Ru]456([O]c7ccccc7-c7sc8ccccc8[n]->47)([O]c4ccccc4-c... 0.000

#21 [O-]C1=C(c2nc3ccccc3s2)C=C[CH]2[CH]1[Ru+3]21[CH]2C=CC(c3nc4ccccc4s3)=C([O-])[CH]... 0.000

#21 [O-]c1c[cH]2->[Ru+3]3<-[cH]2cc1-c1sc2ccccc2[n]->31 0.000

#21 [O-]c1ccccc1-c1nc2c(s1)C=C[CH]1[CH]2[Ru+2]12[O]c1ccccc1-c1sc3ccccc3[n]->21 0.000

#21 c1ccc(P(c2ccccc2)c2ccc[cH](->[Ru+]34([O]c5ccccc5-c5sc6ccccc6[n]->35)[O]c3ccccc3-... 0.000

#22 [O-]c1ccccc1-c1nc2c[cH]3->[Ru+3](<-[cH]4ccc(P(c5ccccc5)c5ccccc5)cc4)<-[cH]3cc2s1 0.000

#22 [O-]c1ccccc1-c1sc2c[cH]3->[Ru+3]4<-[cH]3cc2[n]->41 0.000

#22 c1ccc2-c3sc4ccccc4[n]3->[Ru+]3([O]c4c[cH]->3ccc4-c3nc4ccccc4s3)[O]c2c1 0.000

#22 c1ccc(P(c2ccccc2)c2cc[cH](->[Ru+]34([O]c5ccccc5-c5sc6ccccc6[n]->35)[O]c3ccccc3-c... 0.000

#23 [O-]c1ccccc1-c1nc2c(cc[cH]3->[Ru+3](<-[cH]4cccc5nc(-c6ccccc6[O-])sc54)<-[cH]23)s... 0.000

#23 [O-]c1cc[cH](->[Ru+3])cc1-c1nc2ccccc2s1 0.000

#23 [O-]c1ccccc1-c1nc2c(s1)[CH]1[CH](C=C2)[Ru+2]12[O]c1ccccc1-c1sc3ccccc3[n]->21 0.000

#24 [O-]c1cc[cH](->[Ru+3]2<-[cH]3ccc([O-])c(-c4nc5ccccc5s4)[cH]->23)cc1-c1nc2ccccc2s... 0.000

#24 [O-]c1c[cH](->[Ru+3])ccc1-c1nc2ccccc2s1 0.000

#24 [O-]c1c(-c2nc3ccccc3s2)[cH]2->[Ru+2]345([O]c6ccccc6-c6sc7ccccc7[n]->36)<-[cH]1[c... 0.000

#25 [O-]c1ccccc1-c1nc2c(s1)C=C[CH]1[CH]2[Ru+3]12[CH]1C=CC(P(c3ccccc3)c3ccccc3)=C[CH]... 0.000

#25 [O-]c1ccccc1-c1nc2cc[cH](->[Ru+3])cc2s1 0.000

#25 [O-]c1ccccc1-c1sc2c3cc[cH]4->[Ru+2]5([O]c6ccccc6-c6sc7ccccc7[n]->56)(<-[cH]24)<-... 0.000

#26 [O-]c1ccccc1-c1nc2c(ccc[cH]2->[Ru+3]2<-[cH]3ccc4nc(-c5ccccc5[O-])sc4[cH]->23)s1 0.000

#26 [O-]c1c(-c2nc3ccccc3s2)[cH]2->[Ru+3]34<-[cH]1[cH]->3[cH]->42 0.000

#26 [O-]c1ccccc1-c1sc2c[cH]3->[Ru+2]45([O]c6ccccc6-c6sc7ccccc7[n]->46)<-[cH]3cc2[n]-... 0.000

#27 [O-]c1c[cH](->[Ru+3]2<-[cH]3ccc4sc(-c5ccccc5[O-])nc4[cH]->23)ccc1-c1nc2ccccc2s1 0.000

#27 [O-]C1=C(c2nc3ccccc3s2)[CH]2[CH]3[CH]4[CH]1[Ru+3]243 0.000

#27 [O-]c1c[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]2cc1-c1sc2ccccc2[n]-... 0.000

#28 [O-]c1c[cH]2->[Ru+3](<-[cH]3cccc4sc(-c5ccccc5[O-])nc43)<-[cH]2cc1-c1nc2ccccc2s1 0.000

#28 [O-]c1ccccc1-c1nc2c(cc[cH]3->[Ru+3]<-[cH]23)s1 0.000

#28 c1ccc2-c3nc4cc[cH](->[Ru+]5([O]c2c1)[O]c1ccccc1-c1sc2ccccc2[n]->51)cc4s3 0.000

#29 [O-]c1ccccc1-c1nc2c[cH]3->[Ru+3](<-[cH]4cccc([O-])c4-c4nc5ccccc5s4)<-[cH]3cc2s1 0.000

#29 [O-]c1ccccc1-c1nc2c(s1)[cH]1->[Ru+3]34<-[cH]2[cH]->3[cH]->41 0.000

#29 c1ccc2-c3nc4c[cH](->[Ru+]5([O]c2c1)[O]c1ccccc1-c1sc2ccccc2[n]->51)ccc4s3 0.000

#30 [O-]c1ccccc1-c1nc2c[cH](->[Ru+3])ccc2s1 0.000

#30 [O-]c1ccccc1-c1nc2c(s1)[cH]1->[Ru+2]345([O]c6ccccc6-c6sc7ccccc7[n]->36)<-[cH]2[c... 0.000

#31 [O-]c1cc[cH]2->[Ru+3]<-[cH]2c1-c1nc2ccccc2s1 0.000

#31 [O-]c1c(-c2nc3ccccc3s2)c[cH]2->[Ru+]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]1[cH... 0.000

#32 [O-]c1ccc[cH](->[Ru+3])c1-c1nc2ccccc2s1 0.000

#32 [O-]c1ccccc1-c1nc2c(c[cH]3->[Ru+]45([O]c6ccccc6-c6sc7ccccc7[n]->46)<-[cH]2[cH]->... 0.000

#33 [O-]c1ccccc1-c1nc2cc[cH]3->[Ru+3]<-[cH]3c2s1 0.000

#33 [O-]c1ccccc1-c1nc2c[cH]3->[Ru+]45([O]c6ccccc6-c6sc7ccccc7[n]->46)<-[cH](c2s1)[cH... 0.000

#34 [O-]c1c[cH]2->[Ru+3]<-[cH]2cc1-c1nc2ccccc2s1 0.000

#34 [O-]c1c[cH]2->[Ru+]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH](c1-c1nc3ccccc3s1)[cH... 0.000

#35 [O-]c1c(-c2nc3ccccc3s2)cc[cH]2->[Ru+3]<-[cH]12 0.000

#35 [O-]c1c(-c2nc3ccccc3s2)cc[cH]2->[Ru+2]3([O]c4ccccc4-c4sc5ccccc5[n]->34)<-[cH]12 0.000

#36 [O-]c1ccccc1-c1nc2c(ccc[cH]2->[Ru+3])s1 0.000

#36 [O-]c1ccccc1-c1nc2c(cc[cH]3->[Ru+2]4([O]c5ccccc5-c5sc6ccccc6[n]->45)<-[cH]23)s1 0.000

#37 [O-]c1ccccc1-c1nc2c[cH]3->[Ru+3]<-[cH]3cc2s1 0.000

#37 [O-]c1cc[cH]2->[Ru+2]3([O]c4ccccc4-c4sc5ccccc5[n]->34)<-[cH]2c1-c1nc2ccccc2s1 0.000

#38 [O-]c1ccccc1-c1nc2ccc[cH](->[Ru+3])c2s1 0.000

#38 [O-]c1ccccc1-c1nc2cc[cH]3->[Ru+2]4([O]c5ccccc5-c5sc6ccccc6[n]->45)<-[cH]3c2s1 0.000

#39 [O-]c1ccccc1-c1nc2c(s1)[CH]1[CH]3[CH]4[CH]2[Ru+3]143 0.000

#39 [O-]c1c[cH]2->[Ru+2]3([O]c4ccccc4-c4sc5ccccc5[n]->34)<-[cH]2cc1-c1nc2ccccc2s1 0.000

#40 [O-]c1c(-c2nc3ccccc3s2)ccc[cH]1->[Ru+3] 0.000

#40 [O-]c1ccccc1-c1nc2c[cH]3->[Ru+2]4([O]c5ccccc5-c5sc6ccccc6[n]->45)<-[cH]3cc2s1 0.000

#41 [O-]C1=C(c2nc3ccccc3s2)C=C[CH]2[Ru+3][CH]12 0.000

#41 [O-]c1c(-c2nc3ccccc3s2)ccc[cH]1->[Ru+2]1[O]c2ccccc2-c2sc3ccccc3[n]->12 0.000

#42 [O-]C1=C(c2nc3ccccc3s2)[CH]2[Ru+3][CH]2C=C1 0.000

#42 [O-]c1cc[cH](->[Ru+2]2[O]c3ccccc3-c3sc4ccccc4[n]->23)cc1-c1nc2ccccc2s1 0.000

#43 [O-]C1=C2C=C[CH]3[CH]1[Ru+3]31[CH]3C=Cc4sc2nc4[CH]31 0.000

#43 [O-]c1c2-c3nc4ccc[cH](->[Ru+2]56([O]c7ccccc7-c7sc8ccccc8[n]->57)<-[cH](cc2)[cH]-... 0.000

#44 [O-]c1ccccc1-c1nc2c(s1)C=C[CH]1[Ru+3][CH]21 0.000

#44 [O-]c1c2-c3nc4c(ccc[cH]4->[Ru+2]45([O]c6ccccc6-c6sc7ccccc7[n]->46)<-[cH](cc2)[cH... 0.000

#45 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4cccc5nc(-c1[cH]->32)sc54 0.000

#45 [O-]c1c2-c3nc4c(cc[cH]5->[Ru+2]6([O]c7ccccc7-c7sc8ccccc8[n]->67)(<-[cH]1ccc2)<-[... 0.000

#46 [O-]C1=C2C=C[CH]3[CH]1[Ru+3]31[CH]3C=Cc4nc2sc4[CH]31 0.000

#46 [O-]c1c[cH](->[Ru+2]2[O]c3ccccc3-c3sc4ccccc4[n]->23)ccc1-c1nc2ccccc2s1 0.000

#47 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4cccc5sc(-c1[cH]->32)nc54 0.000

#47 [O-]c1ccccc1-c1nc2c(ccc[cH]2->[Ru+2]2[O]c3ccccc3-c3sc4ccccc4[n]->23)s1 0.000

#48 [O-]c1c2-c3nc4ccc[cH](->[Ru+3]5<-[cH](cc2)[cH]->51)c4s3 0.000

#48 [O-]c1c2-c3nc4cc[cH]5->[Ru+2]6([O]c7ccccc7-c7sc8ccccc8[n]->67)(<-[cH]1ccc2)<-[cH... 0.000

#49 [O-]C1=C2c3nc4c(s3)C=C[CH]3[CH]4[Ru+3]34[CH](C=C1)[CH]24 0.000

#49 [O-]c1ccccc1-c1nc2ccc[cH](->[Ru+2]3[O]c4ccccc4-c4sc5ccccc5[n]->34)c2s1 0.000

#50 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4ccc5sc(-c1[cH]->32)nc5c4 0.000

#50 [O-]c1ccc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5nc(-c12)sc5[c... 0.000

#51 [O-]c1ccccc1-c1nc2c(s1)[CH]1[Ru+3][CH]1C=C2 0.000

#51 [O-]c1ccccc1-c1nc2cc[cH](->[Ru+2]3[O]c4ccccc4-c4sc5ccccc5[n]->34)cc2s1 0.000

#52 [O-]c1c2-c3nc4c(cc[cH]5->[Ru+3](<-[cH]1ccc2)<-[cH]45)s3 0.000

#52 [O-]c1cc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3cccc5sc(-c1[cH]->4... 0.000

#53 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4ccc5nc(-c1[cH]->32)sc5c4 0.000

#53 [O-]c1cc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3cccc5nc(-c1[cH]->4... 0.000

#54 [O-]c1c2-c3nc4c(ccc[cH]4->[Ru+3]4<-[cH](cc2)[cH]->41)s3 0.000

#54 [O-]c1ccc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5sc(-c12)nc5[c... 0.000

#55 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4ccc5sc(-c1c2)nc5[cH]->34 0.000

#55 [O-]c1ccc[cH](->[Ru+2]2[O]c3ccccc3-c3sc4ccccc4[n]->23)c1-c1nc2ccccc2s1 0.000

#56 [O-]c1ccc[cH]2->[Ru+3]3<-[cH]4ccc5sc(-c12)nc5[cH]->34 0.000

#56 [O-]c1ccccc1-c1nc2c[cH](->[Ru+2]3[O]c4ccccc4-c4sc5ccccc5[n]->34)ccc2s1 0.000

#57 [O-]c1c2-c3nc4cc[cH]5->[Ru+3](<-[cH]1ccc2)<-[cH]5c4s3 0.000

#57 [O-]c1c2-c3nc4c[cH]5->[Ru+2]6([O]c7ccccc7-c7sc8ccccc8[n]->67)(<-[cH]1ccc2)<-[cH]... 0.000

#58 [O-]c1ccc[cH]2->[Ru+3]3<-[cH]4ccc5nc(-c12)sc5[cH]->34 0.000

#58 [O-]c1c[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3cccc5sc(-c1c[cH]->4... 0.000

#59 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4ccc5nc(-c1c2)sc5[cH]->34 0.000

#59 [O-]c1c2-c3nc4cc[cH](->[Ru+2]56([O]c7ccccc7-c7sc8ccccc8[n]->57)<-[cH](cc2)[cH]->... 0.000

#60 [O-]C1=C2c3nc4c(s3)[CH]3[CH](C=C4)[Ru+3]34[CH](C=C1)[CH]24 0.000

#60 [O-]c1ccc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3cc5nc(-c12)sc5c[c... 0.000

#61 [O-]c1c2-c3nc4c[cH](->[Ru+3]5<-[cH](cc2)[cH]->51)ccc4s3 0.000

#61 [O-]c1c[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5sc(-c1cc2)nc5[c... 0.000

#62 [O-]c1c2-c3nc4cc[cH](->[Ru+3]5<-[cH](cc2)[cH]->51)cc4s3 0.000

#62 [O-]c1c2-c3nc4c[cH](->[Ru+2]56([O]c7ccccc7-c7sc8ccccc8[n]->57)<-[cH](cc2)[cH]->6... 0.000

#63 [O-]c1c[cH]2->[Ru+3]3<-[cH]4cccc5nc(-c1c[cH]->32)sc54 0.000

#63 [O-]c1c[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3cccc5nc(-c1c[cH]->4... 0.000

#64 [O-]c1c[cH]2->[Ru+3]3<-[cH]4ccc5sc(-c1cc2)nc5[cH]->34 0.000

#64 [O-]c1cc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5sc(-c1c2)nc5[c... 0.000

#65 [O-]c1c[cH]2->[Ru+3]3<-[cH]4cccc5sc(-c1c[cH]->32)nc54 0.000

#65 [O-]c1c[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5nc(-c1cc2)sc5[c... 0.000

#66 [O-]c1c[cH]2->[Ru+3]3<-[cH]4ccc5nc(-c1cc2)sc5[cH]->34 0.000

#66 [O-]c1cc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5nc(-c1c2)sc5[c... 0.000

#67 [O-]c1c2-c3nc4c[cH]5->[Ru+3](<-[cH]1ccc2)<-[cH]5cc4s3 0.000

#67 [O-]c1cc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5nc(-c1[cH]->42... 0.000

#68 [O-]c1ccc[cH]2->[Ru+3]3<-[cH]4cc5nc(-c12)sc5c[cH]->34 0.000

#68 [O-]c1cc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5sc(-c1[cH]->42... 0.000

#69 [O-]c1cc[cH]2->[Ru+3]3<-[cH]4cc5nc(-c1c2)sc5c[cH]->34 0.000

#69 [O-]c1c[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3cc5nc(-c1cc2)sc5c[c... 0.000

#70 [O-]c1c[cH]2->[Ru+3]3<-[cH]4ccc5sc(-c1c[cH]->32)nc5c4 0.000

#70 [O-]c1cc[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3cc5nc(-c1c2)sc5c[c... 0.000

#71 [O-]c1c[cH]2->[Ru+3]3<-[cH]4ccc5nc(-c1c[cH]->32)sc5c4 0.000

#71 [O-]c1c[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5nc(-c1c[cH]->42... 0.000

#72 [O-]c1c[cH]2->[Ru+3]3<-[cH]4cc5nc(-c1cc2)sc5c[cH]->34 0.000

#72 [O-]c1c[cH]2->[Ru+2]34([O]c5ccccc5-c5sc6ccccc6[n]->35)<-[cH]3ccc5sc(-c1c[cH]->42... 0.000

Sequential multi-lig (v2) — 415 candidates

Pred: {"O": 3, "P": 1}