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HoangHa
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belka-selfies-test

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Split (1)

train · 878k rows

molecule_smiles stringlengths 40 127	SELFIES stringlengths 147 627
Cc1nnsc1CNc1nc(Nc2ncccc2CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1	[C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCNC(=O)c2ccc(Cl)cc2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][Ring1][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][N][=N][S][Ring1][Branch1][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4ncccc4F)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)n2)cc1	[C][C][=C][C][=C][Branch2][=Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring2][N][O][C][C][N][C][=N][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=N][Ring2][Ring2][Branch2][C][=C][Ring2][Ring2][=C]
Cc1nnsc1CNc1nc(Nc2ncccc2F)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1	[C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][C][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][N][=N][S][Ring1][Branch1][=N][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OC(F)F)c2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][O][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(CN3C(=O)CNC3=O)cc2)nc(Nc2nccnc2Br)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
Cc1nc(CCNc2nc(Nc3nccnc3Cl)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)sc1C	[C][C][N][=C][Branch2][Ring2][O][C][C][N][C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][S][C][=Ring2][Ring2][C][C]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2ncco2)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][O][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][Branch1][=Branch2][N][C][=N][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(OCc3ccccc3)c3nc[nH]c3n2)nc(Nc2ncco2)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][P][=N][C][Branch1][=Branch2][N][C][=N][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3C2CCCCO2)nc(Nc2cc(Br)cn3ccnc23)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][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][O][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][P][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn3nc(Cl)ccc3n2)nc(Nc2ncnc3c2ncn3C2CCCCO2)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=C][N][N][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=N][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2(c3ccncc3)CC2)nc(Nc2ncncc2Br)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][O][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][=N][C][Branch1][O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2nnc(S)s2)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][C][Branch1][N][N][C][=N][N][=C][Branch1][C][S][S][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]
Cn1ncc2cc(Nc3nc(Nc4nncs4)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)ccc21	[C][N][N][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2nncs2)n1)C(=O)N[Dy]	[N-1][=N+1][=N][C][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][=N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][Dy]
COC(=O)c1ccnc(Nc2nc(Nc3noc4ccc(F)cc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)c1	[C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Ring2][P][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][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2]
COC1CCC(CCNc2nc(Nc3noc4ccc(F)cc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)CC1	[C][O][C][C][C][C][Branch2][Branch1][Ring1][C][C][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][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][=Branch1]
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccs2)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][=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]