diff --git "a/data/ppb_test.json" "b/data/ppb_test.json" new file mode 100644--- /dev/null +++ "b/data/ppb_test.json" @@ -0,0 +1 @@ +{"board": "PPB", "n": 2551, "source": "ChEMBL_37 (EMBL-EBI)", "source_url": "https://www.ebi.ac.uk/chembl/", "license": "CC BY-SA 3.0 Unported", "license_url": "https://creativecommons.org/licenses/by-sa/3.0/", "attribution": "Derived from ChEMBL (EMBL-EBI), licensed CC BY-SA 3.0.", "note": "구조만 포함한다. 라벨은 배포하지 않는다.", "compounds": [{"compound_id": "LB-CF9A7A12C1FB", "smiles": "CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1"}, {"compound_id": "LB-E240F133094D", "smiles": "N#CCN1CCC(n2c(=O)cnc3cnc4ccc(-c5ccc(N)nc5)cc4c32)CC1"}, {"compound_id": "LB-9E1952FCACBE", "smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(OC(F)(F)F)cc1)C2"}, {"compound_id": "LB-EAD7CDBA6102", "smiles": "CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1.Cl"}, {"compound_id": "LB-A25084505E1E", "smiles": 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