diff --git "a/data/pi3ka_test.json" "b/data/pi3ka_test.json"
new file mode 100644--- /dev/null
+++ "b/data/pi3ka_test.json"
@@ -0,0 +1 @@
+{"board": "PI3Ka", "n": 1078, "compounds": [{"compound_id": "LB-4D763C637AC9", "smiles": "COCCN(CCOC)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-FDFE7587C957", "smiles": "OCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-31946D3CA34B", "smiles": "FC(F)c1nc2ccccc2n1-c1nc(N2CCNCC2)nc(N2CCOCC2)n1"}, {"compound_id": "LB-00BB1C9827C0", "smiles": "CC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"}, {"compound_id": "LB-8D3B34496221", "smiles": "OCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-561171E6DB00", "smiles": "O=C(NOCCOCCOCCOCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"}, {"compound_id": "LB-03EA9BA9B889", "smiles": "O=C(NOCCOCCOCCOCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"}, {"compound_id": "LB-BDC72A864881", "smiles": "CC(=O)N(C)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-8E7A5DC87271", "smiles": "CC(=O)NCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-F9D22ECD2277", "smiles": "NOCCOCCOCCOCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-D3F970600BE5", "smiles": "NOCCOCCOCCOCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-94CAC52B2F6C", "smiles": "CNCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-AF6DE165D324", "smiles": "NCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-7C96E3AB3DD2", "smiles": "COCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-98EE913C0277", "smiles": "CNC(=O)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-1B06EFF74EBD", "smiles": "O=C(O)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-2F46CFB82614", "smiles": "CNCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"}, {"compound_id": "LB-B45F8F12F26F", "smiles": "NC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"}, {"compound_id": "LB-48F7752F80D0", "smiles": "NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"}, {"compound_id": "LB-4C51CE82B5A5", "smiles": "O=C(Nc1ccc(C(=O)N2CCCC2C(=O)O)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1"}, {"compound_id": "LB-7DF01B28D1B5", "smiles": "COC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"}, {"compound_id": "LB-FF8CC7B2DCB1", "smiles": "NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"}, {"compound_id": "LB-F1EF32DD4B96", "smiles": "NC(=O)C1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"}, {"compound_id": "LB-F92C94300BFF", "smiles": "COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"}, {"compound_id": "LB-01EBBC79A340", "smiles": "CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)C1"}, {"compound_id": "LB-D3BE6EFB0EBC", "smiles": 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