diff --git "a/data/vdss_test.json" "b/data/vdss_test.json"
new file mode 100644--- /dev/null
+++ "b/data/vdss_test.json"
@@ -0,0 +1 @@
+{"board": "Vdss", "n": 2870, "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-071EDA1E2449", "smiles": "O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1"}, {"compound_id": "LB-D88D2EFF5AEB", "smiles": "COc1ncc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)COC3)cc1NS(C)(=O)=O"}, {"compound_id": "LB-24DA2F8B6C3B", "smiles": "COCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@H]4CN(C5COC5)CCO4)c2)COC3)cnc1OC"}, {"compound_id": "LB-158B0F20FD7F", "smiles": "COCCS(=O)(=O)Nc1cc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)CCOC3)cnc1OC"}, {"compound_id": "LB-3368BD0C322B", "smiles": "CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C2CC2)C1=O"}, {"compound_id": "LB-1DAB7E8EE295", "smiles": "CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C(F)(F)F)C1=O"}, {"compound_id": "LB-DED1D6059C60", "smiles": "Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1"}, {"compound_id": "LB-69DD01D324B2", "smiles": "Cn1cc(-c2ccc3c(c2)CC[C@]32NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)cn1"}, {"compound_id": "LB-C96F519078B4", "smiles": "Cn1cc(-c2ccc3c(c2)CC[C@]32NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1"}, {"compound_id": "LB-CA1C2E00B258", "smiles": "Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"}, {"compound_id": "LB-02DC534E0426", "smiles": "Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1"}, {"compound_id": "LB-5B90E66FBA63", "smiles": "Nc1cc(F)c(S(=O)(=O)N2CCC(O)CC2)cc1C(=O)Nc1cc(F)c(F)c(F)c1"}, {"compound_id": "LB-8B757B3CA533", "smiles": "N#Cc1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCO)nn12"}, {"compound_id": "LB-0144E13E540F", "smiles": "O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2cccc(Cl)c2)cc1"}, {"compound_id": "LB-65EE16598D14", "smiles": "COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc1"}, {"compound_id": "LB-D2895C5D3131", "smiles": "Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1"}, {"compound_id": "LB-458260D06548", "smiles": "C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)cn1"}, {"compound_id": "LB-ACB9B817AC12", "smiles": "Cc1cc(N2C(=O)NC(=O)C2(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O"}, {"compound_id": "LB-BAD177F8F3E7", "smiles": "CC(C)CNC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21"}, {"compound_id": "LB-22577F8FAC97", "smiles": "CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O"}, {"compound_id": "LB-6A08EEF9D6BE", "smiles": "CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)cc2C1=O"}, {"compound_id": "LB-DDE36AC4DD67", "smiles": "CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(C4CC(F)(F)C4)CC3)cc2C1=O"}, {"compound_id": "LB-D053BEB8B987", "smiles": "C[C@@H]1CN(c2cc(F)c3c(c2)N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)C[C@H](C)O1"}, {"compound_id": "LB-A1B6B0A3E74C", "smiles": "NC(CCCCB(O)O)(CNS(N)(=O)=O)C(=O)O"}, {"compound_id": "LB-0B767191A996", "smiles": "N=C(N)NCC(N)(CCCCB(O)O)C(=O)O"}, {"compound_id": "LB-FBB0DB535E83", "smiles": "N=C(N)NC[C@](N)(CCCCB(O)O)C(=O)O"}, {"compound_id": "LB-D90E0BC06E67", "smiles": "Cc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1"}, {"compound_id": "LB-C8EE5CCB1FF9", "smiles": "Cc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1"}, {"compound_id": "LB-0DDB2C9B912E", "smiles": "Cc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)[C@@H](C)C3)c2C)cn1"}, {"compound_id": "LB-1C5DF977DFBD", "smiles": "Cc1ccc(C(=O)Nc2cn3ncnc3c(O[C@H]3CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)[C@@H](C)C3)c2C)cn1"}, {"compound_id": "LB-38354024E819", "smiles": "O[C@@H]1c2cnccc2CC[C@H]1[C@H]1c2ccccc2-c2cncn21"}, {"compound_id": "LB-FBDE8EC5ABC5", "smiles": "O[C@@H]1c2nonc2CC[C@H]1[C@H]1c2ccccc2-c2cncn21"}, {"compound_id": "LB-FA2A7AFE07C5", "smiles": "O[C@@H]1c2ccnn2CC[C@H]1[C@H]1c2ccccc2-c2cncn21"}, {"compound_id": "LB-688FAC251E6A", "smiles": "CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1"}, {"compound_id": "LB-57770CE3BF01", "smiles": "CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1"}, {"compound_id": "LB-44199C5E96D6", "smiles": "CC(C)(C)OC(=O)n1c2c(c3ccccc31)C[C@H]1C(=O)N3C[C@@H](CC(=O)O)C[C@H]3[C@@H]2N1C(=O)CC1CCC(F)(F)CC1"}, {"compound_id": "LB-14218A06A886", "smiles": "CCC(=O)c1sc(-c2ccc(OC)cc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1"}, {"compound_id": "LB-78ADDAD6BE7A", "smiles": "CCC(=O)c1sc(-c2ccc(Cl)cc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1"}, {"compound_id": "LB-5A7BAE8BF010", "smiles": "NCCN[C@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1"}, {"compound_id": "LB-3309B73E3288", "smiles": "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O"}, {"compound_id": "LB-C19110360114", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1"}, {"compound_id": "LB-2BDB03720AD1", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1"}, {"compound_id": "LB-0547CA5C2423", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1"}, {"compound_id": "LB-726DE0A2B791", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)CC1"}, {"compound_id": "LB-E250286342B8", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1"}, {"compound_id": "LB-BC39699D7F4E", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1"}, {"compound_id": "LB-35C7E0FD5C42", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1"}, {"compound_id": "LB-B8CB9E5AB915", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4O)c(Cl)cc23)[C@@H](C)C1"}, {"compound_id": "LB-C818954C38F1", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1"}, {"compound_id": "LB-B3EC0FBE5F85", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1"}, {"compound_id": "LB-BCE542109EFB", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1"}, {"compound_id": "LB-633939E2346D", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1"}, {"compound_id": "LB-D2860FE3617F", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1"}, {"compound_id": "LB-441246E1C02C", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1"}, {"compound_id": "LB-E6E28DC49726", "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1"}, {"compound_id": "LB-408C50C99AF5", "smiles": "COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1)c1cc-2ccn1.O=C(O)C(F)(F)F"}, {"compound_id": "LB-B0450881E2C8", "smiles": "COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1N)c1cc-2ccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"}, {"compound_id": "LB-C6CA1969B362", "smiles": "COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc-2ccn1.O=C(O)C(F)(F)F"}, {"compound_id": "LB-4F36F64807D9", "smiles": "COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2ccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"}, {"compound_id": "LB-C3159545B072", "smiles": "COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1.O=C(O)C(F)(F)F"}, {"compound_id": "LB-CD30719A4554", "smiles": "COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2ccn1.O=C(O)C(F)(F)F"}, {"compound_id": "LB-E5F4531AAEED", "smiles": "CN1Cc2cc(Cl)ccc2-n2c(nnc2-c2ccc(-c3ccccc3)cc2)C1"}, {"compound_id": "LB-7A6A855ED032", "smiles": "COc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCN(C)CC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"}, {"compound_id": "LB-EFD220AB2354", "smiles": "C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C"}, {"compound_id": "LB-4BC2F6539954", "smiles": "COC(=O)N[C@H](C(=O)N1[C@H](c2ncc(-c3ccc4c(c3)-c3ccc(-c5cnc([C@@H]6C[C@@H]7CCC[C@@H]7N6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]5)cc3-4)[nH]2)C[C@@H]2CCC[C@@H]21)[C@@H](C)OC"}, {"compound_id": "LB-6399C1251612", "smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1"}, {"compound_id": "LB-78B2115D532F", "smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)CNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1"}, {"compound_id": "LB-1E9FB3D6C8CA", "smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(NC(=O)c5noc(-c6cc(C(C)C)c(O)cc6O)c5-c5ccc(CN6CCOCC6)cc5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"}, {"compound_id": "LB-4EC744DE1BCB", "smiles": "C[C@H](NC(=O)c1c(-c2ccsc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1"}, {"compound_id": "LB-DF4ED6800C6B", "smiles": "C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1"}, {"compound_id": "LB-E41F3BEAB32B", "smiles": "C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1"}, {"compound_id": "LB-DFDA727E45CD", "smiles": "Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2ccsc12"}, {"compound_id": "LB-C7139C2B0B4C", "smiles": "C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2sc(-c3cc[nH]n3)nc12"}, {"compound_id": "LB-4D9FF71EAC71", "smiles": "Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"}, {"compound_id": "LB-CCE2560DAB59", "smiles": "Cc1cc(-c2nc3ccccc3n2CC2CCOCC2)cn(C)c1=O"}, {"compound_id": "LB-310D215CCEBA", "smiles": "COCC(COC)n1c(-c2cc(C)c(=O)n(C)c2)nc2ccccc21"}, {"compound_id": "LB-66EF6D4CF4D7", "smiles": "COCC(COC)n1c(-c2cc(C)c(=O)n(C)c2)nc2cc(N3CCOCC3)ccc21"}, {"compound_id": "LB-D181518A03C2", "smiles": 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