diff --git "a/data/mtb_test.json" "b/data/mtb_test.json"
new file mode 100644--- /dev/null
+++ "b/data/mtb_test.json"
@@ -0,0 +1 @@
+{"board": "MTB", "n": 2931, "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-7F6F6BA14290", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCN(c5ccccc5F)CC4)nn3)C(=O)C12C"}, {"compound_id": "LB-5CAFEE01A03F", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCN(c5ccccc5)CC4)nn3)C(=O)C12C"}, {"compound_id": "LB-33B924469CC9", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nn3)C(=O)C12C"}, {"compound_id": "LB-3051ED126AAF", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CCN4C(=O)c5ccccc5S4(=O)=O)nn3)C(=O)C12C"}, {"compound_id": "LB-32DFBD399DCE", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4nccs4)nn3)C(=O)C12C"}, {"compound_id": "LB-9E5DAC6A17F1", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4cc5ccccc5s4)nn3)C(=O)C12C"}, {"compound_id": "LB-4E7CD84A3420", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(Br)s4)nn3)C(=O)C12C"}, {"compound_id": "LB-24C6795A16F9", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(Cl)s4)nn3)C(=O)C12C"}, {"compound_id": "LB-2327EB901C30", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4cccs4)nn3)C(=O)C12C"}, {"compound_id": "LB-4147DAFFD01F", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCSCC4)nn3)C(=O)C12C"}, {"compound_id": "LB-CCFC1097CE23", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCOCC4)nn3)C(=O)C12C"}, {"compound_id": "LB-1C01028CCA27", "smiles": "COc1ccc2cc(C(=O)Cn3cc(CN/C(C)=C4\\C(=O)C=C5Oc6c(C(C)=O)c(O)c(C)c(O)c6C5(C)C4=O)nn3)ccc2c1"}, {"compound_id": "LB-68DC36B28E86", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc5ccccc5c4)nn3)C(=O)C12C"}, {"compound_id": "LB-E8B3AD37AC9E", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4cccc5ccccc45)nn3)C(=O)C12C"}, {"compound_id": "LB-58ECAE1721AF", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc5c(c4)Cc4ccccc4-5)nn3)C(=O)C12C"}, {"compound_id": "LB-C4B51EC39AA3", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4c5ccccc5cc5ccccc45)nn3)C(=O)C12C"}, {"compound_id": "LB-9A9CADA7B911", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(-c5ccccc5)cc4)nn3)C(=O)C12C"}, {"compound_id": "LB-D6C575A1C547", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc([N+](=O)[O-])cc4)nn3)C(=O)C12C"}, {"compound_id": "LB-41285932F736", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(C#N)cc4)nn3)C(=O)C12C"}, {"compound_id": "LB-E3931A49B61E", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(OC(F)(F)F)cc4)nn3)C(=O)C12C"}, {"compound_id": "LB-2791F1807D9F", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(C(F)(F)F)cc4)nn3)C(=O)C12C"}, {"compound_id": "LB-F7CE41B49067", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4cccc(C(F)(F)F)c4)nn3)C(=O)C12C"}, {"compound_id": "LB-D285465A8E9F", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4c(F)c(F)c(F)c(F)c4F)nn3)C(=O)C12C"}, {"compound_id": "LB-D3D3A8180A90", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(F)c(F)c4)nn3)C(=O)C12C"}, {"compound_id": "LB-DA43FF9CBA6D", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(F)cc4)nn3)C(=O)C12C"}, {"compound_id": "LB-A0CAB739425B", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(Cl)c(Cl)c4)nn3)C(=O)C12C"}, {"compound_id": "LB-DEB3E1172C0D", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccc(Cl)cc4)nn3)C(=O)C12C"}, {"compound_id": "LB-39417B7D9A18", "smiles": "COc1cccc(C(=O)Cn2cc(CN/C(C)=C3\\C(=O)C=C4Oc5c(C(C)=O)c(O)c(C)c(O)c5C4(C)C3=O)nn2)c1"}, {"compound_id": "LB-2D4461F543CC", "smiles": "COc1ccc(C(=O)Cn2cc(CN/C(C)=C3\\C(=O)C=C4Oc5c(C(C)=O)c(O)c(C)c(O)c5C4(C)C3=O)nn2)cc1"}, {"compound_id": "LB-83FB6D1B2A5E", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)c4ccccc4)nn3)C(=O)C12C"}, {"compound_id": "LB-841AB4A2578B", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCN(c5ccccc5Cl)CC4)nn3)C(=O)C12C"}, {"compound_id": "LB-442E98661DAF", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)nn3)C(=O)C12C"}, {"compound_id": "LB-2F962289FDD2", "smiles": "COc1ccccc1N1CCN(C(=O)Cn2cc(CN/C(C)=C3\\C(=O)C=C4Oc5c(C(C)=O)c(O)c(C)c(O)c5C4(C)C3=O)nn2)CC1"}, {"compound_id": "LB-E7CEC54D1D63", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCN(C/C=C/c5ccccc5)CC4)nn3)C(=O)C12C"}, {"compound_id": "LB-1480667C24CC", "smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3cn(CC(=O)N4CCN(c5ccccn5)CC4)nn3)C(=O)C12C"}, {"compound_id": "LB-32003525371A", "smiles": "O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCCC1"}, {"compound_id": "LB-852D5DA42806", "smiles": "C[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O"}, {"compound_id": "LB-EE0165882676", "smiles": "CC[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O"}, {"compound_id": "LB-09DE16AC4D16", "smiles": "C[C@H]1OC(=O)[C@@H](C2CCCCC2)OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@H]1NC(=O)c1ncccc1O"}, {"compound_id": "LB-187C11B6B935", "smiles": "CC[C@@H](C)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O"}, {"compound_id": "LB-BA35F9FBB96C", "smiles": "CC[C@H](C)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O"}, {"compound_id": "LB-615394BF3A65", "smiles": "C[C@H]1OC(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@H]1NC(=O)c1ncccc1O"}, {"compound_id": "LB-0C0B4083CE88", "smiles": "C[C@H](c1ccccc1)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O"}, {"compound_id": "LB-12DDB3688B8F", "smiles": "C[C@H]1OC(=O)[C@@H]([C@@H](C)c2ccccc2)OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@H]1NC(=O)c1ncccc1O"}, {"compound_id": "LB-1A738DAC0162", "smiles": "C[C@H]1OC(=O)[C@@H](CO)OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@H]1NC(=O)c1ncccc1O"}, {"compound_id": "LB-86B71E380781", "smiles": "CC[C@@H](C)[C@H]1NC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O"}, {"compound_id": "LB-20126138AA3A", "smiles": "CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O"}, {"compound_id": "LB-77F0EF66DE52", "smiles": "C[C@@H]1C(=O)N[C@H](C2CCCCC2)C(=O)O[C@H](C)[C@H](NC(=O)c2ncccc2O)C(=O)N[C@@H](Cc2cccnc2)[C@@H]1O"}, {"compound_id": "LB-D0E3FC267628", "smiles": "COC(=O)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1"}, {"compound_id": "LB-C73764A451B3", "smiles": "CC1(c2ccc(N3CCCOC3=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O"}, {"compound_id": "LB-BB7309EEC9F2", "smiles": "CC1(c2ccc3c(c2)NC(=O)CO3)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O"}, {"compound_id": "LB-79096BA3926B", "smiles": "CC1(c2ccc(NS(=O)(=O)c3ccccc3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O"}, {"compound_id": "LB-B2FD3EE62ED0", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O"}, {"compound_id": "LB-7B8C895F0E0D", "smiles": "CNS(=O)(=O)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1"}, {"compound_id": "LB-F222885A4360", "smiles": "CN(C)S(=O)(=O)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1"}, {"compound_id": "LB-7960C3B9A0DE", "smiles": "CC1(c2ccc(S(=O)(=O)NC3CC3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O"}, {"compound_id": "LB-B0619846F0BC", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O"}, {"compound_id": "LB-62240794BFD7", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccccc2F)C1=O"}, {"compound_id": "LB-9A7195CA94A0", "smiles": "CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccccc2F)C1=O"}, {"compound_id": "LB-34F06EF3D3F9", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O"}, {"compound_id": "LB-4CC3B0515E3B", "smiles": "CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O"}, {"compound_id": "LB-CBEE592ACE42", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O"}, {"compound_id": "LB-749082F38D3C", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O"}, {"compound_id": "LB-C739646F6E1C", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)c(Cl)c2)C1=O"}, {"compound_id": "LB-C0CC3DB832A1", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2Cl)C1=O"}, {"compound_id": "LB-D74CA354F24F", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O"}, {"compound_id": "LB-0B4F0342A2FB", "smiles": "CC(C)(C)C(=O)Oc1cc(F)ccc1C(=O)CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O"}, {"compound_id": "LB-BB24AB3C4770", "smiles": "CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O"}, {"compound_id": "LB-D46DA6FD9497", "smiles": "CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O"}, {"compound_id": "LB-B5E32D6292DB", "smiles": "Cc1ccccc1C(=O)CN1C(=O)NC(C)(c2ccc(S(N)(=O)=O)cc2)C1=O"}, {"compound_id": "LB-DC7AEF7C7F25", "smiles": "Cc1ccccc1C(=O)CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O"}, {"compound_id": "LB-A0E01F9777A3", "smiles": "Cc1cccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)c1"}, {"compound_id": "LB-DD0B572C2903", "smiles": "Cc1cccc(C(=O)CN2C(=O)NC(C)(c3ccc(C#N)cc3)C2=O)c1"}, {"compound_id": "LB-6CCE0C432446", "smiles": "Cc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"}, {"compound_id": "LB-0F761BE29349", "smiles": "COc1cccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)c1"}, 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{"compound_id": "LB-20D1EFC96979", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(Br)cc1"}, {"compound_id": "LB-9FA8B11736B5", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(O)cc1"}, {"compound_id": "LB-3BF1FAC06819", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccncc1"}, {"compound_id": "LB-799F827AC9F8", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1cccnc1"}, {"compound_id": "LB-1D81E3B7FD18", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccccn1"}, {"compound_id": "LB-E5321AAF2E81", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)N1CCN(c2ccc(O)cc2)CC1"}, {"compound_id": "LB-C2B8C99B8C95", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(-n2ccnc2)cc1"}, {"compound_id": "LB-5CCBDF1F429D", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(-c2ccoc2)cc1"}, {"compound_id": "LB-EE6D1037333C", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(-c2cccs2)cc1"}, {"compound_id": "LB-FE1401F0917C", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(-c2ccsc2)cc1"}, {"compound_id": "LB-F21BC6CED69B", "smiles": "O=C(/C=C/c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2"}, {"compound_id": "LB-C987A82E3218", "smiles": "O=C1CCC/C1=C\\c1cc2ccccc2[nH]1"}, {"compound_id": "LB-1D965D64CCFF", "smiles": "O=C1CCCC/C1=C\\c1cc2ccccc2[nH]1"}, {"compound_id": "LB-FDD08B321506", "smiles": "O=c1nc(N2CCC3(CC2)CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"}, {"compound_id": "LB-F60FC85C9004", "smiles": "CC#CCn1c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-FB1CFA170C73", "smiles": "CC#CCn1c(N2CCN(C(=O)C3Cc4ccccc4N3)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-66FB1FC6204B", "smiles": "CC#CCn1c(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-83C3258219DC", "smiles": "CC#CCn1c(N2CCN(C(=O)C3CCCCN3C(=O)OC(C)(C)C)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-5C01D9C5309F", "smiles": "CC#CCn1c(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-A219B813A5AC", "smiles": 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"smiles": "CC#CCn1c(N2CCN(C(=S)Nc3ccccc3Br)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-18CA2263855B", "smiles": "CC#CCn1c(N2CCN(C(=S)Nc3ccccc3Cl)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-4E15E6D590B5", "smiles": "CC#CCn1c(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-7AEF7E91B69B", "smiles": "CC#CCn1c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-A49C712DD6B8", "smiles": "CC#CCn1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-230E5C9A6794", "smiles": "CC#CCn1c(N2CCN(C(=O)Nc3ccc(SC)cc3)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-5E960A3142F0", "smiles": "CC#CCn1c(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-6814397B3E27", "smiles": "CC#CCn1c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc2c1c(=O)n(Cc1ccc(F)c(F)c1)c(=O)n2C"}, {"compound_id": "LB-FAACD9C23065", "smiles": "C=CCNC(=O)N1CCN(c2nc3c(c(=O)n(Cc4ccc(F)c(F)c4)c(=O)n3C)n2CC#CC)CC1"}, {"compound_id": "LB-3AC44E802B74", "smiles": "Cc1ccc(C2=CC(c3ccc(Br)cc3)N(C(=O)c3ccncc3)N2)cc1"}, {"compound_id": "LB-465B7E84C0DB", "smiles": "O=C(c1ccncc1)N1NC(c2ccc(Br)cc2)=CC1c1ccccc1"}, {"compound_id": "LB-39B6A626D541", "smiles": "O=C(c1ccncc1)N1NC(c2ccc(F)cc2)=CC1c1ccc(Br)cc1"}, {"compound_id": "LB-5A9655E98390", "smiles": "Cc1ccc(C2C=C(c3ccc(Cl)cc3)NN2C(=O)c2ccncc2)cc1"}, {"compound_id": "LB-6A04DC9AE171", "smiles": "Cc1ccc(C2=CC(c3ccc(F)cc3)N(C(=O)c3ccncc3)N2)cc1"}, {"compound_id": "LB-0A952FD81A1C", "smiles": "O=C(c1ccncc1)N1NC(c2ccccc2)=CC1c1cccc([N+](=O)[O-])c1"}, {"compound_id": "LB-CA2AFF235D81", "smiles": "O=C(c1ccncc1)N1NC(c2ccc(Cl)cc2)=CC1c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-3123203E7EE5", "smiles": "O=C(c1ccncc1)N1NC(c2ccc(Cl)cc2)=CC1c1ccc(F)cc1"}, {"compound_id": "LB-503EFB679A0F", "smiles": "O=C(c1ccncc1)N1NC(c2ccc(Cl)cc2Cl)=CC1c1cccc([N+](=O)[O-])c1"}, {"compound_id": "LB-195905DAB963", "smiles": "COc1cccc(C2=CC(c3ccc(Br)cc3)N(C(=O)c3ccncc3)N2)c1"}, {"compound_id": "LB-FDBEDC8468E8", "smiles": "COc1cccc(C2=CC(c3ccc(Cl)cc3)N(C(=O)c3ccncc3)N2)c1"}, {"compound_id": "LB-024CD6039B43", "smiles": "O=C(NN1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O)c1ccncc1"}, {"compound_id": "LB-D6CECE2EAA20", "smiles": "O=C(Cn1cc(CN2C(=O)c3ccccc3C2=O)nn1)Nc1ccc(Br)cc1"}, {"compound_id": "LB-CCB60263C9EA", "smiles": "COc1cc(/C=C\\Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc(OC)c1OC"}, {"compound_id": "LB-91BDE278050F", "smiles": "O=C(Nc1ccc(-c2csc(N/C=C\\c3ccccc3[N+](=O)[O-])n2)cc1)c1ccccc1"}, {"compound_id": "LB-96C88A986E72", "smiles": "O=C(Nc1ccc(-c2csc(N/C=C\\c3cccc(Cl)c3)n2)cc1)c1ccccc1"}, {"compound_id": "LB-3FA0E48FF0C9", "smiles": "O=C(Nc1ccc(-c2csc(N/C=C\\c3ccc(O)cc3)n2)cc1)c1ccccc1"}, {"compound_id": "LB-335A87829CC6", "smiles": "O=C(Nc1ccc(-c2csc(N/C=C\\c3ccc(F)cc3)n2)cc1)c1ccccc1"}, {"compound_id": "LB-F36C86B5396A", "smiles": "Nc1nc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cs1"}, {"compound_id": "LB-780A203A9E7F", "smiles": "COc1cc(/C=C\\Nc2nc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cs2)cc(OC)c1OC"}, {"compound_id": "LB-79C76EFA7803", "smiles": "O=C1c2ccccc2C(=O)N1c1ccc(-c2csc(N/C=C\\c3ccccc3[N+](=O)[O-])n2)cc1"}, {"compound_id": "LB-81D89BD6802A", "smiles": "Nc1nc(-c2ccc(N3C(=O)CCC3=O)cc2)cs1"}, {"compound_id": "LB-12CBDA9EFA24", "smiles": "COc1cc(/C=C\\Nc2nc(-c3ccc(N4C(=O)CCC4=O)cc3)cs2)cc(OC)c1OC"}, {"compound_id": "LB-472A9DE936EA", "smiles": "O=C1CCC(=O)N1c1ccc(-c2csc(N/C=C\\c3ccccc3[N+](=O)[O-])n2)cc1"}, {"compound_id": "LB-8B760D548B08", "smiles": "O=C1CCC(=O)N1c1ccc(-c2csc(N/C=C\\c3cccc(Cl)c3)n2)cc1"}, {"compound_id": "LB-3B6A876C79E6", "smiles": "O=C1CCC(=O)N1c1ccc(-c2csc(N/C=C\\c3ccc(O)cc3)n2)cc1"}, {"compound_id": "LB-EE8D8C700C23", "smiles": "O=C1CCC(=O)N1c1ccc(-c2csc(N/C=C\\c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-AD880E45E6FC", "smiles": "NC(=O)/C=C/c1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"}, {"compound_id": "LB-6F814483FD99", "smiles": 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"Sc1nnc(-c2cc3ccccc3o2)o1"}, {"compound_id": "LB-C7111AFAF685", "smiles": "CC(=O)Nc1nc2cc(C3=NN(C(C)=O)C(c4cccs4)C3)ccc2o1"}, {"compound_id": "LB-35134D861367", "smiles": "CC(=O)N1N=C(c2ccc3oc(NC(=O)C(C)C)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-7DE7AF8127BC", "smiles": "CCCC(=O)Nc1nc2cc(C3=NN(C(C)=O)C(c4cccs4)C3)ccc2o1"}, {"compound_id": "LB-279A2B31FE49", "smiles": "CC(=O)N1N=C(c2ccc3oc(NC(=O)CCl)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-9D765BCF8CAE", "smiles": "CC(=O)N1N=C(c2ccc3oc(NC(=O)c4ccccc4)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-2CAB6E360B1F", "smiles": "CC(=O)N1N=C(c2ccc3oc(NC(=O)c4ccccc4Cl)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-4ED59D9B6A40", "smiles": "COc1ccccc1C(=O)Nc1nc2cc(C3=NN(C(C)=O)C(c4cccs4)C3)ccc2o1"}, {"compound_id": "LB-50EDCAAEB980", "smiles": "CC(=O)N1N=C(c2ccc3oc(NC(=O)c4cccc(Cl)c4)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-01490100AA7B", "smiles": "COc1cccc(C(=O)Nc2nc3cc(C4=NN(C(C)=O)C(c5cccs5)C4)ccc3o2)c1"}, {"compound_id": "LB-1A061C64AE0D", "smiles": "CC(=O)N1N=C(c2ccc3oc(N)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-AC7078A0285A", "smiles": "CC(=O)N1N=C(c2ccc3oc(S)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-91AB30438BAF", "smiles": "CC(=O)N1N=C(c2ccc3oc(-c4ccccc4)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-6B5E829F04A4", "smiles": "NC(=O)N1N=C(c2ccc3oc(N)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-E19472056B19", "smiles": "CC(=O)N1N=C(c2ccc3oc(-c4ccccc4Cl)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-BB0A6E4DE440", "smiles": "COc1ccccc1-c1nc2cc(C3=NN(C(C)=O)C(c4cccs4)C3)ccc2o1"}, {"compound_id": "LB-585838819AB2", "smiles": "COc1cccc(-c2nc3cc(C4=NN(C(C)=O)C(c5cccs5)C4)ccc3o2)c1"}, {"compound_id": "LB-38A44902B625", "smiles": "COc1ccc(-c2nc3cc(C4=NN(C(C)=O)C(c5cccs5)C4)ccc3o2)cc1"}, {"compound_id": "LB-8F850274EAC3", "smiles": "COc1cc(-c2nc3cc(C4=NN(C(C)=O)C(c5cccs5)C4)ccc3o2)cc(OC)c1OC"}, {"compound_id": "LB-DA21CF698C32", "smiles": "CC(=O)N1N=C(c2ccc3oc(C(=O)c4ccccc4)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-0C01291781D8", "smiles": "CC(=O)N1N=C(c2ccc3oc(-c4ccccn4)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-2E8B083AC726", "smiles": "CC(=O)N1N=C(c2ccc3oc(-c4cccnc4)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-1164BF788057", "smiles": "CC(=O)N1N=C(c2ccc3oc(-c4ccncc4)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-48BF44826AAF", "smiles": "NC(=O)N1N=C(c2ccc3oc(S)nc3c2)CC1c1cccs1"}, {"compound_id": "LB-D76519FAD6D8", "smiles": "Cc1ccc(OCCc2cn(C[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)nn2)cc1"}, {"compound_id": "LB-5BB1CFBFC63A", "smiles": "COC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2"}, {"compound_id": "LB-A880789BE97D", "smiles": "NOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCCC2"}, {"compound_id": "LB-8285A3FF277C", "smiles": "CCc1c(C)sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1C(=O)OC(C)C"}, {"compound_id": "LB-F5998619778C", "smiles": "Cc1c(C(N)=O)sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1C(=O)O"}, {"compound_id": "LB-6803AE5DD916", "smiles": "COC(=O)c1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C(=O)ON)c1C"}, {"compound_id": "LB-4EC2AD91F3A3", "smiles": 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"LB-C969471B5300", "smiles": "COc1ccc(NC(=O)c2c(Nc3cccc(C)c3C)nn3c(O)cc(C)nc23)cc1"}, {"compound_id": "LB-3117114E2500", "smiles": "COc1ccc(NC(=O)c2c(Nc3ccccc3)nn3c(O)cc(C)nc23)cc1"}, {"compound_id": "LB-942AC5CCCB76", "smiles": "COc1ccc(NC(=O)c2c(NN3CCOCC3)nn3c(O)cc(C)nc23)cc1"}, {"compound_id": "LB-35A3C23D4AE5", "smiles": "Cc1ccc(NC(=O)c2c(Nc3ccccc3)nn3c(O)cc(C)nc23)cc1"}, {"compound_id": "LB-113BE7E46E7C", "smiles": "Cc1ccc(NC(=O)c2c(Nc3ccc(Cl)cc3)nn3c(O)cc(C)nc23)cc1"}, {"compound_id": "LB-E164A8284C45", "smiles": "Cc1cc(O)n2nc(Nc3ccc(Cl)c(Cl)c3)c(C(N)=O)c2n1"}, {"compound_id": "LB-3CE194DC0728", "smiles": "CCOc1ccc(NC(=O)c2c(Nc3ccc(C)cc3C)nn3c(O)cc(C)nc23)cc1"}, {"compound_id": "LB-01AA1D48CD70", "smiles": "Cc1ccc(Nc2nn3c(O)cc(C)nc3c2C(=O)Nc2ccc(Cl)cc2)c(C)c1"}, {"compound_id": "LB-2FC56E4DB629", "smiles": "COc1ccc(Nc2nn3c(O)cc(C)nc3c2C(=O)Nc2ccc(C)cc2C)cc1"}, {"compound_id": "LB-20E7C90E8F65", "smiles": "Cc1cc(O)n2nc(Nc3ccc(Cl)c(Cl)c3)c(C(=O)Nc3cccc(C)c3C)c2n1"}, {"compound_id": 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"smiles": "Cc1ccc(Nc2nn3c(O)cc(C)nc3c2C(=O)Nc2ccc(F)c(Cl)c2)cc1"}, {"compound_id": "LB-1E916EE5DCD2", "smiles": "COc1ccc(Nc2nn3c(O)cc(C)nc3c2C(=O)Nc2ccc(F)c(Cl)c2)cc1"}, {"compound_id": "LB-41655B8162B1", "smiles": "Cc1cc(O)n2nc(Nc3ccc(F)cc3)c(C(=O)Nc3cccc(Cl)c3)c2n1"}, {"compound_id": "LB-99A76E34302A", "smiles": "Cc1cc(O)n2nc(Nc3cccc(C)c3C)c(C(=O)Nc3cccc(Cl)c3)c2n1"}, {"compound_id": "LB-E039BED4E175", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-788514B54C21", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccncn3)n2)cc1"}, {"compound_id": "LB-347EC27F4F12", "smiles": "CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-4F4BDDD0B9AE", "smiles": "CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1"}, {"compound_id": "LB-5D2C46055129", "smiles": "CCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1"}, {"compound_id": "LB-FA352324AEA3", "smiles": "COc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)cc1"}, {"compound_id": "LB-C116E53927F5", "smiles": 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"O=S(=O)(NCC(O)CO)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-0BF2E2F34677", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(Cl)cn3)n2)cc1"}, {"compound_id": "LB-4DE08B7F4E82", "smiles": "CCc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)cc1"}, {"compound_id": "LB-A211CE80A671", "smiles": "N#Cc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)nc1"}, {"compound_id": "LB-8BEB8E1238CD", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ncc(F)cc3F)n2)cc1"}, {"compound_id": "LB-839AFBDF82A9", "smiles": "Cc1cccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)n1"}, {"compound_id": "LB-898E72CB77A2", "smiles": "Cc1nccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)n1"}, {"compound_id": "LB-35BD8EECFD1C", "smiles": "C[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-6D96F7EB1143", "smiles": "C[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1"}, {"compound_id": "LB-B6168F48B6D8", "smiles": "COc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)n2)nc1"}, {"compound_id": "LB-FFA3DF024175", "smiles": "Cc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)n2)nc1"}, {"compound_id": "LB-983E3AFE6D94", "smiles": "COc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)n2)cc1"}, {"compound_id": "LB-3DEB08C5251A", "smiles": "COc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)cc1F"}, {"compound_id": "LB-B95C94F050F8", "smiles": "COc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)nc1"}, {"compound_id": "LB-C6DDEDC9719D", "smiles": "Cc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)nc1"}, {"compound_id": "LB-47F4FCD5CC48", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1"}, {"compound_id": "LB-0C639A4B89B7", "smiles": "Cc1cc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)ccn1"}, {"compound_id": "LB-D638A471A9EC", "smiles": "COc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCC(N)=O)cc3)n2)cc1"}, {"compound_id": "LB-D70779FA26E9", "smiles": "Cc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCC(N)=O)cc3)n2)cc1"}, {"compound_id": "LB-9E5F8450BD28", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-A021B93C03A5", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1"}, {"compound_id": "LB-B16E5041EDA5", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(CC3CCC(F)(F)CC3)n2)cc1"}, {"compound_id": "LB-640C258688C0", "smiles": "Cc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCC(N)=O)cc3)n2)nc1"}, {"compound_id": "LB-E51848BA0C0C", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(Cl)cn3)n2)cc1"}, {"compound_id": "LB-9A2D556FC326", "smiles": "Cc1cc(Cn2nnc(-c3ccc(S(=O)(=O)NCC(N)=O)cc3)n2)ccn1"}, {"compound_id": "LB-D809C6C3BB00", "smiles": "COC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-617C2C19642D", "smiles": "COC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1"}, {"compound_id": "LB-8588276AE2A8", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-33CF205135C8", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1"}, {"compound_id": "LB-71FCEBB6D0E8", "smiles": "COc1cc(-c2nnn(Cc3ccc(F)cc3)n2)ccc1S(=O)(=O)NCCO"}, {"compound_id": "LB-7B2B55A17419", "smiles": "COc1cc(-c2nnn(Cc3ccncc3)n2)ccc1S(=O)(=O)NCCO"}, {"compound_id": "LB-034B33DB1B52", "smiles": "COc1cc(-c2nnn(Cc3ccc(C#N)cn3)n2)ccc1S(=O)(=O)NCCO"}, {"compound_id": "LB-8C4DA4F36F6A", "smiles": "COc1cc(-c2nnn(Cc3ccc(F)cn3)n2)ccc1S(=O)(=O)NCCO"}, {"compound_id": "LB-6441014E439F", "smiles": "CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1OC"}, {"compound_id": "LB-F70D842C0379", "smiles": "N#CCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-7304CF1AA915", "smiles": "COc1cc(-c2nnn(Cc3ccc(F)cc3)n2)ccc1S(=O)(=O)NCC(N)=O"}, {"compound_id": "LB-0508551CF0B5", "smiles": "COc1cc(-c2nnn(Cc3ccc(C#N)cc3)n2)ccc1S(=O)(=O)NCC(N)=O"}, {"compound_id": "LB-F4B49E14B6E3", "smiles": "COc1cc(-c2nnn(Cc3ccncc3)n2)ccc1S(=O)(=O)NCC(N)=O"}, {"compound_id": "LB-88AC352B608D", "smiles": "N#CCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1"}, {"compound_id": "LB-2097A552650F", "smiles": "N#CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1"}, {"compound_id": "LB-D401F50A946A", "smiles": "N#CCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncn3)n2)cc1"}, {"compound_id": "LB-218F5E4417F2", "smiles": "COc1cc(-c2nnn(Cc3ccncc3)n2)ccc1S(=O)(=O)NCC#N"}, {"compound_id": "LB-F9C7F332EC44", "smiles": "N#CCNS(=O)(=O)c1ccc(-c2cn(Cc3ccncc3)nn2)cc1"}, {"compound_id": "LB-86D3C7F62890", "smiles": "N#CCNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cn3)nn2)cc1"}, {"compound_id": "LB-35D66C14ADC6", "smiles": "O=S(=O)(NCCO)c1ccc(-c2cn(Cc3ccc(F)cn3)nn2)cc1"}, {"compound_id": "LB-A9173C73DF04", "smiles": "COc1ccc(Cn2cc(-c3ccc(S(=O)(=O)NCCO)cc3)nn2)cc1"}, {"compound_id": "LB-5E9464C9D998", "smiles": "O=S(=O)(NCCO)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1"}, {"compound_id": "LB-C8E3301EA2DD", "smiles": "O=S(=O)(NCCO)c1ccc(-c2cn(Cc3ccncc3)nn2)cc1"}, {"compound_id": "LB-F9A43F5A4E50", "smiles": "N#Cc1ccc(Cn2cc(-c3ccc(S(=O)(=O)NCCO)cc3)nn2)cc1"}, {"compound_id": "LB-D68069356CE1", "smiles": "Cc1ccc(Cn2cc(-c3ccc(S(=O)(=O)NCCO)cc3)nn2)nc1"}, {"compound_id": "LB-197F3B8174F8", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1"}, {"compound_id": "LB-235A1123A056", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2cn(CC3CCC(F)(F)CC3)nn2)cc1"}, {"compound_id": "LB-BABE7504D69B", "smiles": "C[C@@H](O)CNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1"}, {"compound_id": "LB-91833042D7E6", "smiles": "Cc1cc(-c2nnn(Cc3ccc(F)cn3)n2)ccc1S(=O)(=O)NCCO"}, {"compound_id": "LB-272783690E74", "smiles": "Cc1cc(-c2nnn(CC3CCCCO3)n2)ccc1S(=O)(=O)NCCO"}, {"compound_id": "LB-96020A7C7B25", "smiles": "Cc1cc(S(=O)(=O)NCCO)ccc1-c1nnn(Cc2ccc(F)cn2)n1"}, {"compound_id": "LB-FB22A0F6032D", "smiles": "Cc1cc(S(=O)(=O)NCCO)ccc1-c1nnn(CC2CCCCO2)n1"}, {"compound_id": "LB-5104A9A3E5AE", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1F"}, {"compound_id": "LB-2270B8DAC4C2", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(CC3CCCCO3)n2)cc1F"}, {"compound_id": "LB-035FDE663143", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1F"}, {"compound_id": "LB-777D225E747D", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(CC3CCOCC3)n2)cc1F"}, {"compound_id": "LB-EB79537245FC", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(CC3CCCCC3)n2)cc1F"}, {"compound_id": "LB-E2A384AFDF48", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1Cl"}, {"compound_id": "LB-4C161EFACD5A", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)c(Cl)c1"}, {"compound_id": "LB-125664C7795E", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1Cl"}, {"compound_id": "LB-38C74A87292C", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)c(F)c1"}, {"compound_id": "LB-F63440669AA1", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(CC3CCCCO3)n2)c(F)c1"}, {"compound_id": "LB-97364888C18D", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)c(F)c1F"}, {"compound_id": "LB-897630936F8B", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(CC3CCCCO3)n2)c(F)c1F"}, {"compound_id": "LB-4EEE60F62299", "smiles": "O=S(=O)(NCCO)c1c(F)cc(-c2nnn(Cc3ccc(F)cn3)n2)cc1F"}, {"compound_id": "LB-378D798B47D5", "smiles": "O=S(=O)(NCCO)c1c(F)cc(-c2nnn(CC3CCCCO3)n2)cc1F"}, {"compound_id": "LB-8809AFF0535C", "smiles": "N#CCNS(=O)(=O)c1ccc(-c2nnn(CC3CCOCC3)n2)cc1"}, {"compound_id": "LB-13376869A27D", "smiles": "N#CCNS(=O)(=O)c1ccc(-c2nnn(Cc3cnccn3)n2)cc1"}, {"compound_id": "LB-6F3F52180216", "smiles": "Cc1cnc(Cn2nnc(-c3ccc(S(=O)(=O)NCC#N)cc3)n2)cn1"}, {"compound_id": "LB-6E12BCE8D37A", "smiles": "COc1cnc(Cn2nnc(-c3ccc(S(=O)(=O)NCC#N)cc3)n2)cn1"}, {"compound_id": "LB-C70B5FF04A85", "smiles": "COc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCC#N)cc3)n2)cn1"}, {"compound_id": "LB-5B825FF332F3", "smiles": "N#CCNS(=O)(=O)c1ccc(-c2nnn(CC3CCCCO3)n2)cc1"}, {"compound_id": "LB-8EAF126896EE", "smiles": "COc1cc(-c2nnn(CC3CCC(F)(F)CC3)n2)ccc1S(=O)(=O)NCC(N)=O"}, {"compound_id": "LB-B359AFFFB96F", "smiles": "NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(CC3CCCCO3)n2)cc1"}, {"compound_id": "LB-D29A793C38A9", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(OC(F)(F)F)cc3)n2)cc1"}, {"compound_id": "LB-7888E2863B74", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)n2)cc1"}, {"compound_id": "LB-75ECBB8AD160", "smiles": "CCOc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)cc1"}, {"compound_id": "LB-E83C569B788A", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(CC3CCCCC3)n2)cc1"}, {"compound_id": "LB-C20491DE6352", "smiles": "Cc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)cn1"}, {"compound_id": "LB-607515170C45", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3cccnc3)n2)cc1"}, {"compound_id": "LB-B2D093A12FD0", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(CC3CCCOC3)n2)cc1"}, {"compound_id": "LB-21AAD2ABCEB4", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(CC3CCOCC3)n2)cc1"}, {"compound_id": "LB-E28AF68C966B", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccnnc3)n2)cc1"}, {"compound_id": "LB-E7CFBE6F2952", "smiles": "O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3cccnn3)n2)cc1"}, {"compound_id": "LB-724068FD01CC", "smiles": "CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(C#N)cc3)n2)cc1"}, {"compound_id": "LB-C7FFD3817015", "smiles": "COc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)c(OC)c3)n2)nc1"}, {"compound_id": "LB-984927A4C868", "smiles": "Cc1cc(S(=O)(=O)NCCO)c(F)cc1-c1nnn(Cc2ccc(F)cn2)n1"}, 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\ No newline at end of file