3
Candidates
{"N": 6}
Ground Truth
{"N": 7}
Top-1 Prediction
0.857
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.20 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]3(<-[n]4cccc5ccc6ccc[n]->3c6c54)<-[n]1c1ccccc12
#1
TOP-1
0.96 ± 0.03
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]<-[n]4cccc1c4c23
#1
TOP-1
0.35 ± 0.39
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]456(<-[n]7cccc1c7c23)<-[n]1cccc2c1c1...
#1
TOP-1
0.29 ± 0.41
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4567(<-[n]8cccc9ccc%10ccc[n]->4c%10c...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.08 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cc...
#2
0.03 ± 0.03
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2cccnc2c2c1ccc[n]2->[Ru+2]
#2
0.22 ± 0.41
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]456(<-[n]7cccc1c7c23)[CH]1c2nc3c7ccc...
#2
0.25 ± 0.42
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n]3->[Ru+2]456(<-[n]7cccc8ccc9cccnc9c87)(<-[n]7...
#3
0.06 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c2c2n...
#3
0.06 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c2c2n...
#3
0.06 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c2c2n...
#3
0.06 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c2c2n...
#3
0.06 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c2c2n...
#3
0.06 ± 0.00
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccc[n](->[Ru+2]3<-[n]4cccc5ccc6ccc[n]->3c6c54)c2c2n...