system_id stringlengths 17 57 | split stringclasses 1
value | entry_pdb_id stringlengths 4 4 | entry_determination_method stringclasses 8
values | entry_resolution float32 0.64 37 ⌀ | is_experimental bool 1
class | protein_sequence stringlengths 2 5.16k | protein_chain_id stringclasses 455
values | protein_instance_chain stringlengths 3 5 | ligand_smiles stringlengths 2 604 | ligand_ccd_code stringlengths 1 135 | ligand_instance_chain stringlengths 3 5 | ligand_is_proper bool 2
classes | ligand_is_covalent bool 2
classes | ligand_molecular_weight float32 7.02 3.45k | system_pass_validation_criteria bool 2
classes | system_num_protein_chains int32 1 5 | system_num_ligand_chains int32 1 5 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
8t9c__1__41.A_48.A_49.A__49.B_49.C_49.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 49.A | N=c1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]1 | DC-DG-DA | 49.D | true | false | 931.156494 | false | 3 | 3 |
8t9c__1__44.A_46.A_49.A__44.B_44.C_44.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 44.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]1 | DC-DG | 44.B | true | false | 618.098877 | false | 3 | 3 |
8t9c__1__44.A_46.A_49.A__44.B_44.C_44.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 44.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](CO[P@@](=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3CO[P@](=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3CO[P@](=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3CO[P@@](=O)(O)... | DC-DA-DG-DG-DC-DC-DA-DA | 44.C | true | false | 2,464.416992 | false | 3 | 3 |
8t9c__1__44.A_46.A_49.A__44.B_44.C_44.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 44.A | N=c1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]1 | DC-DG-DA | 44.D | true | false | 931.156494 | false | 3 | 3 |
8t9c__1__50.A_52.A_55.A__50.B_50.C_50.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 50.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]1 | DC-DG | 50.B | true | false | 618.098877 | false | 3 | 3 |
8t9c__1__50.A_52.A_55.A__50.B_50.C_50.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 50.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)[nH]c4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]... | DC-DA-DG-DG-DC-DC-DA-DA | 50.C | true | false | 2,464.416992 | false | 3 | 3 |
8t9c__1__50.A_52.A_55.A__50.B_50.C_50.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 50.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 50.D | true | false | 931.156494 | false | 3 | 3 |
8t4v__1__1.A__1.E | train | 8t4v | X-RAY DIFFRACTION | 1.47 | true | MHHHHHHSSGRENLYFQGMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK | A | 1.A | C#Cc1cccc2cccc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6C(=O)CCC(=O)O)nc(OCC56CCCN5CCC6)nc4c3F)c12 | Y63 | 1.E | true | true | 648.286011 | false | 1 | 1 |
8t9c__1__47.A_54.A_55.A__55.B_55.C_55.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 47.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG | 55.B | true | false | 618.098877 | false | 3 | 3 |
8t9c__1__47.A_54.A_55.A__55.B_55.C_55.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 54.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@... | DC-DA-DG-DG-DC-DC-DA-DA | 55.C | true | false | 2,464.416992 | false | 3 | 3 |
8t9c__1__47.A_54.A_55.A__55.B_55.C_55.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 55.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 55.D | true | false | 931.156494 | false | 3 | 3 |
8t9x__2__1.A__1.B_1.C_1.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 1.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 1.B | true | false | 933.172119 | false | 1 | 3 |
8t9x__2__1.A__1.B_1.C_1.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 1.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 1.C | true | false | 2,785.537109 | false | 1 | 3 |
8t9x__2__1.A__1.B_1.C_1.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 1.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 1.D | true | false | 1,552.291382 | false | 1 | 3 |
8t9c__1__47.A_48.A_54.A__48.B_48.C_48.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 47.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]1 | DC-DG | 48.B | true | false | 618.098877 | false | 3 | 3 |
8t9c__1__47.A_48.A_54.A__48.B_48.C_48.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 47.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](CO[P@](=O)(O)O[C@H]3C[C@H](n4ccc(=N)[nH]c4=O)O[C@@H]3CO[P@](=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3CO[P@](=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3CO[P@](=O)(O... | DC-DA-DG-DG-DC-DC-DA-DA | 48.C | true | false | 2,464.416992 | false | 3 | 3 |
8t9c__1__47.A_48.A_54.A__48.B_48.C_48.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 48.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 48.D | true | false | 931.156494 | false | 3 | 3 |
8t9c__1__46.A_47.A_49.A__47.B_47.C_47.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 46.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG | 47.B | true | false | 618.098877 | false | 3 | 3 |
8t9c__1__46.A_47.A_49.A__47.B_47.C_47.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 47.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@... | DC-DA-DG-DG-DC-DC-DA-DA | 47.C | true | false | 2,464.416992 | false | 3 | 3 |
8t9c__1__46.A_47.A_49.A__47.B_47.C_47.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 47.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]1 | DC-DG-DA | 47.D | true | false | 931.156494 | false | 3 | 3 |
8t9x__3__1.A_2.A__1.B_1.C_1.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 1.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 1.B | true | false | 933.172119 | false | 2 | 3 |
8t9x__3__1.A_2.A__1.B_1.C_1.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 1.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 1.C | true | false | 2,785.537109 | false | 2 | 3 |
8t9x__3__1.A_2.A__1.B_1.C_1.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 1.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 1.D | true | false | 1,552.291382 | false | 2 | 3 |
8t9x__3__1.A_5.A__5.B_5.C_5.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 1.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 5.B | true | false | 933.172119 | false | 2 | 3 |
8t9x__3__1.A_5.A__5.B_5.C_5.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 5.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 5.C | true | false | 2,785.537109 | false | 2 | 3 |
8t9x__3__1.A_5.A__5.B_5.C_5.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 5.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 5.D | true | false | 1,552.291382 | false | 2 | 3 |
8t9c__1__52.A_53.A_55.A__53.B_53.C_53.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 52.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG | 53.B | true | false | 618.098877 | false | 3 | 3 |
8t9c__1__52.A_53.A_55.A__53.B_53.C_53.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 53.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](CO[P@@](=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3CO[P@](=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3CO[P@](=O)(O)... | DC-DA-DG-DG-DC-DC-DA-DA | 53.C | true | false | 2,464.416992 | false | 3 | 3 |
8t9c__1__52.A_53.A_55.A__53.B_53.C_53.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 53.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 53.D | true | false | 931.156494 | false | 3 | 3 |
8t9x__3__2.A_3.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 2.B | true | false | 933.172119 | false | 2 | 3 |
8t9x__3__2.A_3.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 2.C | true | false | 2,785.537109 | false | 2 | 3 |
8t9x__3__2.A_3.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 2.D | true | false | 1,552.291382 | false | 2 | 3 |
8t9c__1__57.A_58.A_9.A__58.B_58.C_58.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 57.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG | 58.B | true | false | 618.098877 | false | 3 | 3 |
8t9c__1__57.A_58.A_9.A__58.B_58.C_58.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 57.A | N=c1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)[nH]c4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H... | DC-DA-DG-DG-DC-DC-DA-DA | 58.C | true | false | 2,464.416992 | false | 3 | 3 |
8t9c__1__57.A_58.A_9.A__58.B_58.C_58.D | train | 8t9c | ELECTRON MICROSCOPY | null | true | MPRVRPLGPNPQDRPNWDSMNDGQRRYAMEQWNLARVRRGEYFDPPGDDDLPLTQADAIDNFDLDLLGSPQEAEQPSQQSEDGVDDFLQQVRDRQDLRDAGPSNAPQPNMADVEMAQVSSSSSGSKRGSDGSGPPSKVSKSGTSLPGTGGNLDGMARGGSGEGGATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYR... | A | 58.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 58.D | true | false | 931.156494 | false | 3 | 3 |
8ta2__1__1.B__1.E | train | 8ta2 | ELECTRON MICROSCOPY | null | true | GEDWIFLVLLGLLMALVSWVMDYAIAACLQAQQWMSRGLNTSILLQYLAWVTYPVVLITFSAGFTQILAPQAVGSGIPEMKTILRGVVLKEYLTLKTFIAKVIGLTCALGSGMPLGKEGPFVHIASMCAALLSKFLSLFGGIYENESRNTEMLAAACAVGVGCCFAAPIGGVLFSIEVTSTFFAVRNYWRGFFAATFSAFIFRVLAVWNRDEETITALFKTRFRLDFPFDLQELPAFAVIGIASGFGGALFVYLNRKIVQVMRKQKTINRFLMRKRLLFPALVTLLISTLTFPPGFGQFMAGQLSQKETLVTLFDNRTWV... | B | 1.B | O=C(O)c1cccnc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl | GH6 | 1.E | true | false | 388.038147 | false | 1 | 1 |
8tag__1__1.A__1.E | train | 8tag | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.E | true | false | 221.089935 | false | 1 | 1 |
8tag__1__1.A__1.C | train | 8tag | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.C | true | true | 221.089935 | false | 1 | 1 |
8t9x__3__3.A_4.A__3.B_3.C_3.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 3.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 3.B | true | false | 933.172119 | false | 2 | 3 |
8t9x__3__3.A_4.A__3.B_3.C_3.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 3.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 3.C | true | false | 2,785.537109 | false | 2 | 3 |
8t9x__3__3.A_4.A__3.B_3.C_3.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 3.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 3.D | true | false | 1,552.291382 | false | 2 | 3 |
8t9x__4__2.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 2.B | true | false | 933.172119 | false | 1 | 3 |
8t9x__4__2.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 2.C | true | false | 2,785.537109 | false | 1 | 3 |
8t9x__4__2.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 2.D | true | false | 1,552.291382 | false | 1 | 3 |
8t9x__4__3.A__3.B_3.C_3.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 3.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 3.B | true | false | 933.172119 | false | 1 | 3 |
8t9x__4__3.A__3.B_3.C_3.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 3.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 3.C | true | false | 2,785.537109 | false | 1 | 3 |
8t9x__4__3.A__3.B_3.C_3.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 3.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 3.D | true | false | 1,552.291382 | false | 1 | 3 |
8tag__1__1.A__1.D | train | 8tag | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.D | true | false | 221.089935 | false | 1 | 1 |
8t9x__5__2.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 2.B | true | false | 933.172119 | false | 1 | 3 |
8t9x__5__2.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 2.C | true | false | 2,785.537109 | false | 1 | 3 |
8t9x__5__2.A__2.B_2.C_2.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 2.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 2.D | true | false | 1,552.291382 | false | 1 | 3 |
8t9x__4__6.A__6.B_6.C_6.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 6.A | Nc1ccn([C@H]2C[C@H](O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 6.B | true | false | 933.172119 | false | 1 | 3 |
8t9x__4__6.A__6.B_6.C_6.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 6.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](CO[P@@](=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3CO[P@@](=O)(O)O[C@H]3C[... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 6.C | true | false | 2,785.537109 | false | 1 | 3 |
8t9x__4__6.A__6.B_6.C_6.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 6.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 6.D | true | false | 1,552.291382 | false | 1 | 3 |
8tag__1__1.B__1.H | train | 8tag | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.H | true | false | 221.089935 | false | 1 | 1 |
8tag__1__1.B__1.G | train | 8tag | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.G | true | true | 221.089935 | false | 1 | 1 |
8t9x__3__4.A_5.A__4.B_4.C_4.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 4.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=N[C@@H]5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)n1 | DC-DG-DA | 4.B | true | false | 933.172119 | false | 2 | 3 |
8t9x__3__4.A_5.A__4.B_4.C_4.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 4.A | Nc1ccn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@... | DC-DA-DG-DG-DC-DC-DA-DA-DA | 4.C | true | false | 2,785.537109 | false | 2 | 3 |
8t9x__3__4.A_5.A__4.B_4.C_4.D | train | 8t9x | ELECTRON MICROSCOPY | null | true | ATAILRPIGLHVEKFQQTYRKKWRFLTSANANVILAEAASGERPARWALTTGMASIPWEYLFFYMSPAEYNRMKNYPGTFAKSASVRIRTWNTRVAFQTGDTQTANATLNQNKFLQVAKGIRSIPFICSTNRKYTYSDTEPMQPTGFATLTSYEYRDGLKIAMYGYDNDSADFAKKPPADATGAEIYLQDYLTIYTNDARATTGTKILAGFPPYKNFIEEFDASACINTDVVAMDYDFSYAPLVPQFAPVPNNLITQNYNASYPAGTKNEVTAVKTTDSSQATPPTQVRNAPRKYIQGPNADTTFFDEEQNYLRVPIEQG... | A | 4.A | Cc1cn([C@H]2C[C@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c4NC=NC5N)C[C@@H]3O)[C@@H](COP(=O)=O)O2)c(=O)[nH]c1=O | DT-DC-DG-DA-DA | 4.D | true | false | 1,552.291382 | false | 2 | 3 |
8tah__1__1.B__1.K_1.L | train | 8tah | ELECTRON MICROSCOPY | null | true | MDSQGRKVVVCDNGTGFVKCGYAGSNFPEHIFPALVGRPIIRSTTKVGNIEIKDLMVGDEASELRSMLEVNYPMENGIVRNWDDMKHLWDYTFGPEKLNIDTRNCKILLTEPPMNPTKNREKIVEVMFETYQFSGVYVAIQAVLTLYAQGLLTGVVVDSGDGVTHICPVYEGFSLPHLTRRLDIAGRDITRYLIKLLLLRGYAFNHSADFETVRMIKEKLCYVGYNIEQEQKLALETTVLVESYTLPDGRIIKVGGERFEAPEALFQPHLINVEGVGVAELLFNTIQAADIDTRSEFYKHIVLSGGSTMYPGLPSRLERE... | B | 1.B | [Mg+2] | MG | 1.K | false | false | 23.983944 | false | 1 | 2 |
8tah__1__1.B__1.K_1.L | train | 8tah | ELECTRON MICROSCOPY | null | true | MDSQGRKVVVCDNGTGFVKCGYAGSNFPEHIFPALVGRPIIRSTTKVGNIEIKDLMVGDEASELRSMLEVNYPMENGIVRNWDDMKHLWDYTFGPEKLNIDTRNCKILLTEPPMNPTKNREKIVEVMFETYQFSGVYVAIQAVLTLYAQGLLTGVVVDSGDGVTHICPVYEGFSLPHLTRRLDIAGRDITRYLIKLLLLRGYAFNHSADFETVRMIKEKLCYVGYNIEQEQKLALETTVLVESYTLPDGRIIKVGGERFEAPEALFQPHLINVEGVGVAELLFNTIQAADIDTRSEFYKHIVLSGGSTMYPGLPSRLERE... | B | 1.B | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ATP | 1.L | true | false | 506.995758 | false | 1 | 2 |
8tag__1__1.B__1.I | train | 8tag | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.I | true | false | 221.089935 | false | 1 | 1 |
8tah__1__1.A__1.I_1.J | train | 8tah | ELECTRON MICROSCOPY | null | true | MAGRLPACVVDCGTGYTKLGYAGNTEPQFIIPSCIAIKESAKVGDQAQRRVMKGVDDLDFFIGDEAIEKPTYATKWPIRHGIVEDWDLMERFMEQVIFKYLRAEPEDHYFLLTEPPLNTPENREYTAEIMFESFNVPGLYIAVQAVLALAASWTSRQVGERTLTGTVIDSGDGVTHVIPVAEGYVIGSCIKHIPIAGRDITYFIQQLLRDREVGIPPEQSLETAKAVKERYSYVCPDLVKEFNKYDTDGSKWIKQYTGINAISKKEFSIDVGYERFLGPEIFFHPEFANPDFTQPISEVVDEVIQNCPIDVRRPLYKNIV... | A | 1.A | [Mg+2] | MG | 1.I | false | false | 23.983944 | false | 1 | 2 |
8tah__1__1.A__1.I_1.J | train | 8tah | ELECTRON MICROSCOPY | null | true | MAGRLPACVVDCGTGYTKLGYAGNTEPQFIIPSCIAIKESAKVGDQAQRRVMKGVDDLDFFIGDEAIEKPTYATKWPIRHGIVEDWDLMERFMEQVIFKYLRAEPEDHYFLLTEPPLNTPENREYTAEIMFESFNVPGLYIAVQAVLALAASWTSRQVGERTLTGTVIDSGDGVTHVIPVAEGYVIGSCIKHIPIAGRDITYFIQQLLRDREVGIPPEQSLETAKAVKERYSYVCPDLVKEFNKYDTDGSKWIKQYTGINAISKKEFSIDVGYERFLGPEIFFHPEFANPDFTQPISEVVDEVIQNCPIDVRRPLYKNIV... | A | 1.A | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ATP | 1.J | true | false | 506.995758 | false | 1 | 2 |
8tai__1__1.B__1.G | train | 8tai | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.G | true | false | 221.089935 | false | 1 | 1 |
8ta2__1__1.A__1.C | train | 8ta2 | ELECTRON MICROSCOPY | null | true | GEDWIFLVLLGLLMALVSWVMDYAIAACLQAQQWMSRGLNTSILLQYLAWVTYPVVLITFSAGFTQILAPQAVGSGIPEMKTILRGVVLKEYLTLKTFIAKVIGLTCALGSGMPLGKEGPFVHIASMCAALLSKFLSLFGGIYENESRNTEMLAAACAVGVGCCFAAPIGGVLFSIEVTSTFFAVRNYWRGFFAATFSAFIFRVLAVWNRDEETITALFKTRFRLDFPFDLQELPAFAVIGIASGFGGALFVYLNRKIVQVMRKQKTINRFLMRKRLLFPALVTLLISTLTFPPGFGQFMAGQLSQKETLVTLFDNRTWV... | A | 1.A | O=C(O)c1cccnc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl | GH6 | 1.C | true | false | 388.038147 | false | 1 | 1 |
8tai__1__1.A__1.D | train | 8tai | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.D | true | false | 221.089935 | false | 1 | 1 |
8tai__1__1.A__1.E | train | 8tai | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.E | true | false | 221.089935 | false | 1 | 1 |
8tai__1__1.A__1.C | train | 8tai | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.C | true | true | 221.089935 | false | 1 | 1 |
8tal__1__1.B__1.I | train | 8tal | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.I | true | false | 221.089935 | false | 1 | 1 |
8tal__1__1.A__1.E | train | 8tal | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.E | true | false | 221.089935 | false | 1 | 1 |
8tal__1__1.A__1.D | train | 8tal | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.D | true | false | 221.089935 | false | 1 | 1 |
8tal__1__1.A__1.C | train | 8tal | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.C | true | true | 221.089935 | false | 1 | 1 |
8tai__1__1.B__1.I | train | 8tai | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.I | true | false | 221.089935 | false | 1 | 1 |
8tal__1__1.B__1.H | train | 8tal | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.H | true | false | 221.089935 | false | 1 | 1 |
8tat__1__1.A__1.C | train | 8tat | X-RAY DIFFRACTION | 1.6 | true | MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAECLFNQDVDAAVCGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYK | A | 1.A | COC(=O)C1=CC(C)(C)N(O)C1(C)C | GFX | 1.C | true | true | 199.12085 | false | 1 | 1 |
8tai__1__1.B__1.H | train | 8tai | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.H | true | false | 221.089935 | false | 1 | 1 |
8tay__1__1.A__1.B_1.C | train | 8tay | X-RAY DIFFRACTION | 2.021 | true | MISNSSAESISAPPNDSTIPHLAIDPFSLDFFDDPYPDQQTLRDAGPVVYLDKWNVYGVARYAEVHAVLNDPTTFCSSRGVGLSDFKKEKPWRPPSLILEADPPAHTRPRAVLSKVLSPATMKTIRDGFAAAADAKVDELLQRGCIDAIADLAEAYPLSVFPDAMGLKQEGREHLLPYAGLVFNAFGPPNELRQTAIERSAPHQAYVNEQCQRPNLAPGGFGACIHAFTDTGEITPDEAPLLVRSLLSAGLDETVNGIGAAVYCLARFPGELQRLRSDPTLARNAFEEAVRFESPVQTFFRTTTREVELGGAVIGEGEKV... | A | 1.A | O=C(O)c1ccc(-c2ccsc2)cc1 | EJD | 1.B | true | false | 204.024506 | false | 1 | 2 |
8tay__1__1.A__1.B_1.C | train | 8tay | X-RAY DIFFRACTION | 2.021 | true | MISNSSAESISAPPNDSTIPHLAIDPFSLDFFDDPYPDQQTLRDAGPVVYLDKWNVYGVARYAEVHAVLNDPTTFCSSRGVGLSDFKKEKPWRPPSLILEADPPAHTRPRAVLSKVLSPATMKTIRDGFAAAADAKVDELLQRGCIDAIADLAEAYPLSVFPDAMGLKQEGREHLLPYAGLVFNAFGPPNELRQTAIERSAPHQAYVNEQCQRPNLAPGGFGACIHAFTDTGEITPDEAPLLVRSLLSAGLDETVNGIGAAVYCLARFPGELQRLRSDPTLARNAFEEAVRFESPVQTFFRTTTREVELGGAVIGEGEKV... | A | 1.A | C=CC1=C(C)C2=Cc3c(C)c(CCC(=O)O)c4n3[Fe]35<-N6=C(C=c7c(C=C)c(C)c(n73)=CC1=N->52)C(C)=C(CCC(=O)O)C6=C4 | HEM | 1.C | true | false | 616.177307 | false | 1 | 2 |
8taw__1__1.A__1.C_1.D | train | 8taw | X-RAY DIFFRACTION | 1.73 | true | MISNSSAESISAPPNDSTIPHLAIDPFSLDFFDDPYPDQQTLRDAGPVVYLDKWNVYGVARYAEVHAVLNDPTTFCSSRGVGLSDFKKEKPWRPPSLILEADPPAHTRPRAVLSKVLSPATMKTIRDGFAAAADAKVDELLQRGCIDAIADLAEAYPLSVFPDAMGLKQEGREHLLPYAGLVFNAFGPPNELRQTAIERSAPHQAYVNEQCQRPNLAPGGFGACIHAFTDTGEITPDEAPLLVRSLLSAGLDETVNGIGAAVYCLARFPGELQRLRSDPTLARNAFEEAVRFESPVQTFFRTTTREVELGGAVIGEGEKV... | A | 1.A | C=CC1=C(C)C2=Cc3c(C)c(CCC(=O)O)c4n3[Fe]35<-N6=C(C=c7c(C=C)c(C)c(n73)=CC1=N->52)C(C)=C(CCC(=O)O)C6=C4 | HEM | 1.C | true | false | 616.177307 | false | 1 | 2 |
8taw__1__1.A__1.C_1.D | train | 8taw | X-RAY DIFFRACTION | 1.73 | true | MISNSSAESISAPPNDSTIPHLAIDPFSLDFFDDPYPDQQTLRDAGPVVYLDKWNVYGVARYAEVHAVLNDPTTFCSSRGVGLSDFKKEKPWRPPSLILEADPPAHTRPRAVLSKVLSPATMKTIRDGFAAAADAKVDELLQRGCIDAIADLAEAYPLSVFPDAMGLKQEGREHLLPYAGLVFNAFGPPNELRQTAIERSAPHQAYVNEQCQRPNLAPGGFGACIHAFTDTGEITPDEAPLLVRSLLSAGLDETVNGIGAAVYCLARFPGELQRLRSDPTLARNAFEEAVRFESPVQTFFRTTTREVELGGAVIGEGEKV... | A | 1.A | O=C(O)c1ccc(-c2ccccn2)cc1 | PQS | 1.D | true | false | 199.063324 | false | 1 | 2 |
8tal__1__1.B__1.G | train | 8tal | ELECTRON MICROSCOPY | null | true | FEEFNGKPDSLFFTDGQRRIDFILVYEDESKKENNKKGTNEKQKRKRQAYESNLICHGLQLEATRSVSDDKLVFVKVHAPWEVLCYYAEIMHIKLPLKPNDLKTRSPFGNLNWFTKVLRVNESVIKPEQEFFTAPFEKSRMNDFYILDRDSFFNPATRSRIVYFILSRVKYQVMNNVNKFGINRLVSSGIYKAAFPLHDCRFNYESEDISCPSERYLLYREWAHPRSIYKKQPLDLIRKYYGEKIGIYFAWLGYYTQMLLLAAVVGVACFLYGYLDQDNCTWSKEVCDPDIGGQILMCPQCDRLCPFWRLNITCESSKKL... | B | 1.B | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.G | true | false | 221.089935 | false | 1 | 1 |
8tat__1__1.A__1.B | train | 8tat | X-RAY DIFFRACTION | 1.6 | true | MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAECLFNQDVDAAVCGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYK | A | 1.A | COC(=O)C1=CC(C)(C)N(O)C1(C)C | GFX | 1.B | true | true | 199.12085 | false | 1 | 1 |
8tb5__1__1.A__1.C_1.D | train | 8tb5 | X-RAY DIFFRACTION | 2.32 | true | AHHHHHHHHHHGALEVLFQGPGARASPRTLNLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILR... | A | 1.A | CN(C)S(=O)(=O)c1cccc(-c2c[nH]c3cnc(NC(=O)C4CC4)cc23)c1 | ZOQ | 1.D | true | false | 384.12561 | false | 1 | 2 |
8tb5__2__1.B__1.E_1.F | train | 8tb5 | X-RAY DIFFRACTION | 2.32 | true | AHHHHHHHHHHGALEVLFQGPGARASPRTLNLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILR... | B | 1.B | CN(C)S(=O)(=O)c1cccc(-c2c[nH]c3cnc(NC(=O)C4CC4)cc23)c1 | ZOQ | 1.F | true | false | 384.12561 | false | 1 | 2 |
8tb6__1__1.A__1.C | train | 8tb6 | X-RAY DIFFRACTION | 1.96 | true | AHHHHHHHHHHGALEVLFQGPGARASPRTLNLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILR... | A | 1.A | CO[C@@]1(c2cccc(-c3cn(C)c4cnc(NC(N)=O)cc34)n2)CCOC1 | ZOI | 1.C | true | false | 367.164429 | false | 1 | 1 |
8t6b__1__1.A__1.B | train | 8t6b | ELECTRON MICROSCOPY | null | true | RKLILFIVFLALLLDNMLLTVVVPIIPSYLYSIKHEKNATEIQTARPVHTASISDSFQSIFSYYDNSTMVTGNATRDLTLHQTATQHMVTNASAVPSDCPSEDKDLLNENVQVGLLFASKATVQLITNPFIGLLTNRIGYPIPIFAGFCIMFVSTIMFAFSSSYAFLLIARSLQGIGSSCSSVAGMGMLASVYTDDEERGNVMGIALGGLAMGVLVGPPFGSVLYEFVGKTAPFLVLAALVLLDGAIQLFVLQPSRVQPESQKGTPLTTLLKDPYILIAAGSICFANMGIAMLEPALPIWMMETMCSRKWQLGVAFLPAS... | A | 1.A | NCCc1c[nH]c2ccc(O)cc12 | SRO | 1.B | true | false | 176.094955 | false | 1 | 1 |
8tbe__1__1.A_1.B__1.C | train | 8tbe | X-RAY DIFFRACTION | 2.15 | true | SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ | A | 1.A | [H]/N=C\[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cccc(Cl)c2[nH]1 | ZQB | 1.C | true | true | 457.18808 | false | 2 | 1 |
8tb6__2__1.B__1.D | train | 8tb6 | X-RAY DIFFRACTION | 1.96 | true | AHHHHHHHHHHGALEVLFQGPGARASPRTLNLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILR... | B | 1.B | CO[C@@]1(c2cccc(-c3cn(C)c4cnc(NC(N)=O)cc34)n2)CCOC1 | ZOI | 1.D | true | false | 367.164429 | false | 1 | 1 |
8tbf__1__1.A_1.D__1.K | train | 8tbf | X-RAY DIFFRACTION | 1.5 | true | SMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK | A | 1.A | CCn1c(-c2cc(N3CCN(C4CC4)CC3)cnc2[C@H](C)OC)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)C1[C@H]3COC[C@@H]13)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2 | ZNI | 1.K | true | false | 864.435669 | false | 2 | 1 |
8tbf__1__1.A_1.D__1.K | train | 8tbf | X-RAY DIFFRACTION | 1.5 | true | SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE | D | 1.D | CCn1c(-c2cc(N3CCN(C4CC4)CC3)cnc2[C@H](C)OC)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)C1[C@H]3COC[C@@H]13)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2 | ZNI | 1.K | true | false | 864.435669 | false | 2 | 1 |
8tb7__1__1.A__1.E | train | 8tb7 | ELECTRON MICROSCOPY | null | true | MYPYDVPDYAESSPIPQSSGNSSTLGRVPQTPGPSTASGVPEVGLRDVASESVALFFMLLLDLTAVAGNAAVMAVIAKTPALRKFVFVFHLCLVDLLAALTLMPLAMLSSSALFDHALFGEVACRLYLFLSVCFVSLAILSVSAINVERYYYVVHPMRYEVRMTLGLVASVLVGVWVKALAMASVPVLGRVSWEEGAPSVPPGCSLQWSHSAYCQLFVVVFAVLYFLLPLLLILVVYCSMFRARRQLADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQID... | A | 1.A | CCOc1cc(C)nc(N(CCOC)S(=O)(=O)c2ccc(NCc3c(F)cncc3F)nc2OC)n1 | ZOB | 1.E | true | false | 524.165344 | false | 1 | 1 |
8tbe__1__1.A_1.B__1.D | train | 8tbe | X-RAY DIFFRACTION | 2.15 | true | SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ | A | 1.A | [H]/N=C\[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cccc(Cl)c2[nH]1 | ZQB | 1.D | true | true | 457.18808 | false | 2 | 1 |
8tbf__1__1.A__1.E_1.F | train | 8tbf | X-RAY DIFFRACTION | 1.5 | true | SMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK | A | 1.A | Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | GNP | 1.E | true | false | 522.006653 | false | 1 | 2 |
8tbf__1__1.A__1.E_1.F | train | 8tbf | X-RAY DIFFRACTION | 1.5 | true | SMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK | A | 1.A | [Mg+2] | MG | 1.F | false | false | 23.983944 | false | 1 | 2 |
8tbf__2__1.B__1.G_1.H | train | 8tbf | X-RAY DIFFRACTION | 1.5 | true | SMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK | B | 1.B | Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | GNP | 1.G | true | false | 522.006653 | true | 1 | 2 |
8tbf__2__1.B__1.G_1.H | train | 8tbf | X-RAY DIFFRACTION | 1.5 | true | SMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK | B | 1.B | [Mg+2] | MG | 1.H | false | false | 23.983944 | true | 1 | 2 |
8tbf__2__1.B_1.C__1.J | train | 8tbf | X-RAY DIFFRACTION | 1.5 | true | SMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK | B | 1.B | CCn1c(-c2cc(N3CCN(C4CC4)CC3)cnc2[C@H](C)OC)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)C1[C@H]3COC[C@@H]13)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2 | ZNI | 1.J | true | false | 864.435669 | false | 2 | 1 |
8tbf__2__1.B_1.C__1.J | train | 8tbf | X-RAY DIFFRACTION | 1.5 | true | SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE | C | 1.C | CCn1c(-c2cc(N3CCN(C4CC4)CC3)cnc2[C@H](C)OC)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)C1[C@H]3COC[C@@H]13)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2 | ZNI | 1.J | true | false | 864.435669 | false | 2 | 1 |
8tbh__1__1.A_1.D__1.J | train | 8tbh | X-RAY DIFFRACTION | 1.5 | true | SMTEYKLVVVGARGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK | A | 1.A | CCn1c(-c2cc(N3CCN(C4CC4)CC3)cnc2[C@H](C)OC)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)C1[C@H]3COC[C@@H]13)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2 | ZNI | 1.J | true | false | 864.435669 | true | 2 | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.