Datasets:
HoangHa
/
belka-selfies-train-cls-ft

Dataset card Data Studio Files
xet
Community
1
molecule_smiles
large_stringlengths
42
139
SELFIES
stringlengths
173
596
BRD4
int64
0
1
HSA
int64
0
1
sEH
int64
0
1
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC(F)(F)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCCCC(F)(F)C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCCn3ccnc32)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCN(c3ccncc3)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CN3CCN2CC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CS(=O)(=O)c3ccccc32)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CSCCN2Cc2ccccc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][S][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(=O)N2CCN(c3ccccn3)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][O][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(=O)NCc2ccncc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(O)C2CCCC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCC2CCOC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][O][N][C][C][C][C][C][O][C][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCCc2cc(=O)[nH][nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][C][C][=C][C][=Branch1][C][=O][NH1][NH1][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCN2CCCOCC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][N][C][C][C][O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCN2CC[C@@H](O)C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C][N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCNC(=O)c2cccnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCOc2cccnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCS(=O)Cc2ccccc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][S][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ccc(N3CCOCC3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ccncc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ncc(Br)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C][C][=N][C][=C][Branch1][C][Br][S][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2nccc(C3CC3)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][=N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NC[C@@H]2CCC(=O)N2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2c(Br)cncc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc(C(F)F)on2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][O][N][=Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc(F)cc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc3c(s2)CCSC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][S][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(C(=O)N3CCCC3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(CN3CCCC3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(F)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=C][N][C][=N][C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring2][Ring1][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(NC(=O)c3ccco3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(Oc3cccnc3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=C][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(C(=O)N3CCCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(N3CCOCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc3c2OCO3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccccc2CN2CCCC2=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Ring1][Branch1][=O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccnc2OC(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccnc(-n3cncn3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccncn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccon2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][O][N][=Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccsc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccsc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][O][N][C][C][C][=C][S][C][=Ring1][Branch1][Br][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][N][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring2][Ring2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn(C(F)F)c3ccccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn3cc(Cl)ccc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn3cccc(F)c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(N3CCOCC3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnn(Cc3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][N][=N][S][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc(-c3ccsc3)no2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][O][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3c(s2)CCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3c(s2)CCCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3ccccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nccs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][=N][C][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2noc3c2COCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][C][=N][O][C][=C][Ring1][Branch1][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2sncc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][O][N][C][C][S][N][=C][C][=Ring1][Branch1][Br][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2[nH]c(=O)ncc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][NH1][C][=Branch1][C][=O][N][=C][C][=Ring1][#Branch1][F][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2c(F)cccc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2c(O)ncnc2O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(-c3cccc(Br)c3)no2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(=O)[nH]c(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(=O)[nH]c(=S)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=S][NH1][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Br)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Br][=C][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cc(Br)cn3ccnc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][C][Br][=C][N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][#C][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C(F)(F)F)cnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring1][#Branch2][Cl][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(CO)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][Ring1][C][O][=C][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)c([N+](=O)[O-])cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nc(Cl)c2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)c(F)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)c(F)cc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)cc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cc3cccnc3c3ncccc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]c(=O)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]c(=O)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][=C][NH1][C][=Branch1][C][=O][N][=Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][NH1][N][=Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(-c3cnco3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(-c3ncc[nH]3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Br)c(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=N][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(CC3COC(=O)N3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)cc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)nc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0